NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type | subtype | subsubtype |
|
|
604009 |
5ipo   |
30033 | cing | 1-original | 1 | AMBER | distance | NOE | simple |
# Restraints file 1: RST
#
# 15 VAL HN 15 VAL QG2 3.03
&rst
ixpk= 0, nxpk= 0, iat= 220, -1, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14,
rk2=20.0, rk3=20.0, ir6=1, ialtd=0,
igr2= 230, 231, 232,
&end
#
# 15 VAL HA 15 VAL QG2 2.83
&rst
ixpk= 0, nxpk= 0, iat= 222, -1, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90,
igr2= 230, 231, 232,
&end
#
# 12 PHE HN 15 VAL QG2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 176, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 230, 231, 232,
&end
#
# 6 LYS HA 7 ASN HN 3.36
&rst
ixpk= 0, nxpk= 0, iat= 88, 108, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86, &end
#
# 6 LYS HA 6 LYS QD 4.36
&rst
ixpk= 0, nxpk= 0, iat= 88, -1, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39,
igr2= 96, 97,
&end
#
# 14 ASN HN 35 HIS HA 5.16
&rst
ixpk= 0, nxpk= 0, iat= 206, 522, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66, &end
#
# 13 ALA HN 13 ALA QB 3.07
&rst
ixpk= 0, nxpk= 0, iat= 196, -1, r1= 1.30, r2= 1.80, r3= 3.69, r4= 4.19,
igr2= 200, 201, 202,
&end
#
# 13 ALA HN 15 VAL HN 4.84
&rst
ixpk= 0, nxpk= 0, iat= 196, 220, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34, &end
#
# 12 PHE HA 13 ALA HN 2.74
&rst
ixpk= 0, nxpk= 0, iat= 178, 196, r1= 1.30, r2= 1.80, r3= 2.74, r4= 3.24, &end
#
# 13 ALA HN 13 ALA HA 2.68
&rst
ixpk= 0, nxpk= 0, iat= 196, 198, r1= 1.30, r2= 1.80, r3= 2.68, r4= 3.18, &end
#
# 12 PHE HD 13 ALA HN 4.18
&rst
ixpk= 0, nxpk= 0, iat= -1, 196, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19,
igr1= 184, 192,
&end
#
# 6 LYS HN 6 LYS HB3 3.78
&rst
ixpk= 0, nxpk= 0, iat= 86, 91, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28, &end
#
# 6 LYS HN 7 ASN HA 4.90
&rst
ixpk= 0, nxpk= 0, iat= 86, 110, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40, &end
#
# 23 ARG HN 23 ARG HB3 3.74
&rst
ixpk= 0, nxpk= 0, iat= 337, 342, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24, &end
#
# 43 VAL HB 44 PRO HD2 3.30
&rst
ixpk= 0, nxpk= 0, iat= 633, 646, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 7 ASN QB 7 ASN HD21 3.49
&rst
ixpk= 0, nxpk= 0, iat= -1, 117, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42,
igr1= 112, 113,
&end
#
# 7 ASN HA 7 ASN HD21 4.19
&rst
ixpk= 0, nxpk= 0, iat= 110, 117, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69, &end
#
# 8 GLN HE21 37 THR QG2 4.15
&rst
ixpk= 0, nxpk= 0, iat= 134, -1, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48,
igr2= 550, 551, 552,
&end
#
# 43 VAL HN 44 PRO HD2 4.87
&rst
ixpk= 0, nxpk= 0, iat= 629, 646, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37, &end
#
# 43 VAL HN 43 VAL HB 3.93
&rst
ixpk= 0, nxpk= 0, iat= 629, 633, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, &end
#
# 42 GLY HA3 43 VAL HN 2.71
&rst
ixpk= 0, nxpk= 0, iat= 625, 629, r1= 1.30, r2= 1.80, r3= 2.71, r4= 3.21, &end
#
# 43 VAL HN 43 VAL QG2 2.63
&rst
ixpk= 0, nxpk= 0, iat= 629, -1, r1= 1.30, r2= 1.80, r3= 3.16, r4= 3.66,
igr2= 639, 640, 641,
&end
#
# 43 VAL HN 43 VAL QG1 2.92
&rst
ixpk= 0, nxpk= 0, iat= 629, -1, r1= 1.30, r2= 1.80, r3= 3.51, r4= 4.01,
igr2= 635, 636, 637,
&end
#
# 31 GLU HB3 43 VAL HN 4.22
&rst
ixpk= 0, nxpk= 0, iat= 474, 629, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72, &end
#
# 42 GLY HN 43 VAL HN 3.85
&rst
ixpk= 0, nxpk= 0, iat= 622, 629, r1= 1.30, r2= 1.80, r3= 3.85, r4= 4.35, &end
#
# 4 MET HA 5 ALA HN 2.46
&rst
ixpk= 0, nxpk= 0, iat= 61, 76, r1= 1.30, r2= 1.80, r3= 2.46, r4= 2.96, &end
#
# 6 LYS HN 7 ASN HN 2.68
&rst
ixpk= 0, nxpk= 0, iat= 86, 108, r1= 1.30, r2= 1.80, r3= 2.68, r4= 3.18, &end
#
# 5 ALA HN 5 ALA QB 2.96
&rst
ixpk= 0, nxpk= 0, iat= 76, -1, r1= 1.30, r2= 1.80, r3= 3.55, r4= 4.05,
igr2= 80, 81, 82,
&end
#
# 40 LYS HA 40 LYS QD 4.42
&rst
ixpk= 0, nxpk= 0, iat= 592, -1, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,
igr2= 600, 601,
&end
#
# 40 LYS HB3 40 LYS QD 3.18
&rst
ixpk= 0, nxpk= 0, iat= 595, -1, r1= 1.30, r2= 1.80, r3= 3.57, r4= 4.07,
igr2= 600, 601,
&end
#
# 40 LYS HB2 40 LYS QD 3.18
&rst
ixpk= 0, nxpk= 0, iat= 594, -1, r1= 1.30, r2= 1.80, r3= 3.57, r4= 4.07,
igr2= 600, 601,
&end
#
# 30 LYS QG 41 CYX HB3 4.55
&rst
ixpk= 0, nxpk= 0, iat= -1, 617, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61,
igr1= 454, 455,
&end
#
# 30 LYS QG 30 LYS HNZ 4.71
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.35, r4= 6.85,
igr1= 454, 455,
igr2= 463, 464, 465,
&end
#
# 30 LYS QG 30 LYS QE 3.69
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,
igr1= 454, 455,
igr2= 460, 461,
&end
#
# 30 LYS QG 41 CYX HB2 4.48
&rst
ixpk= 0, nxpk= 0, iat= -1, 616, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,
igr1= 454, 455,
&end
#
# 30 LYS HA 30 LYS QG 4.10
&rst
ixpk= 0, nxpk= 0, iat= 449, -1, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
igr2= 454, 455,
&end
#
# 35 HIS HA 35 HIS HD2 4.51
&rst
ixpk= 0, nxpk= 0, iat= 522, 533, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01, &end
#
# 35 HIS HD2 40 LYS QD 4.52
&rst
ixpk= 0, nxpk= 0, iat= 533, -1, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,
igr2= 600, 601,
&end
#
# 33 ILE QD1 35 HIS HD2 3.19
&rst
ixpk= 0, nxpk= 0, iat= -1, 533, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33,
igr1= 504, 505, 506,
&end
#
# 35 HIS HD2 40 LYS HB3 3.81
&rst
ixpk= 0, nxpk= 0, iat= 533, 595, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31, &end
#
# 35 HIS HD2 40 LYS HN 4.15
&rst
ixpk= 0, nxpk= 0, iat= 533, 590, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65, &end
#
# 35 HIS HD2 40 LYS HB2 3.81
&rst
ixpk= 0, nxpk= 0, iat= 533, 594, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31, &end
#
# 35 HIS HN 35 HIS HD2 3.98
&rst
ixpk= 0, nxpk= 0, iat= 520, 533, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48, &end
#
# 35 HIS HD2 40 LYS QG 4.02
&rst
ixpk= 0, nxpk= 0, iat= 533, -1, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01,
igr2= 597, 598,
&end
#
# 28 GLU HB3 28 GLU HG2 2.85
&rst
ixpk= 0, nxpk= 0, iat= 425, 427, r1= 1.30, r2= 1.80, r3= 2.85, r4= 3.35, &end
#
# 7 ASN HA 7 ASN QB 2.91
&rst
ixpk= 0, nxpk= 0, iat= 110, -1, r1= 1.30, r2= 1.80, r3= 3.27, r4= 3.77,
igr2= 112, 113,
&end
#
# 7 ASN QB 8 GLN HN 3.43
&rst
ixpk= 0, nxpk= 0, iat= -1, 122, r1= 1.30, r2= 1.80, r3= 3.85, r4= 4.35,
igr1= 112, 113,
&end
#
# 33 ILE HN 40 LYS HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= 491, 592, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 32 GLY HN 33 ILE HN 4.38
&rst
ixpk= 0, nxpk= 0, iat= 484, 491, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88, &end
#
# 30 LYS QB 31 GLU HN 3.13
&rst
ixpk= 0, nxpk= 0, iat= -1, 469, r1= 1.30, r2= 1.80, r3= 3.51, r4= 4.01,
igr1= 451, 452,
&end
#
# 31 GLU HN 31 GLU HB2 3.75
&rst
ixpk= 0, nxpk= 0, iat= 469, 473, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25, &end
#
# 31 GLU HN 31 GLU HG3 3.72
&rst
ixpk= 0, nxpk= 0, iat= 469, 477, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22, &end
#
# 30 LYS HA 31 GLU HN 2.90
&rst
ixpk= 0, nxpk= 0, iat= 449, 469, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40, &end
#
# 31 GLU HN 31 GLU HB3 3.75
&rst
ixpk= 0, nxpk= 0, iat= 469, 474, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25, &end
#
# 40 LYS HA 41 CYX HN 2.79
&rst
ixpk= 0, nxpk= 0, iat= 592, 612, r1= 1.30, r2= 1.80, r3= 2.79, r4= 3.29, &end
#
# 40 LYS HB3 41 CYX HN 4.73
&rst
ixpk= 0, nxpk= 0, iat= 595, 612, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23, &end
#
# 41 CYX HN 41 CYX HB3 3.74
&rst
ixpk= 0, nxpk= 0, iat= 612, 617, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24, &end
#
# 40 LYS HB2 41 CYX HN 4.73
&rst
ixpk= 0, nxpk= 0, iat= 594, 612, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23, &end
#
# 17 VAL HB 18 LYS HN 3.45
&rst
ixpk= 0, nxpk= 0, iat= 252, 264, r1= 1.30, r2= 1.80, r3= 3.45, r4= 3.95, &end
#
# 18 LYS HN 18 LYS HNZ 5.09
&rst
ixpk= 0, nxpk= 0, iat= 264, -1, r1= 1.30, r2= 1.80, r3= 6.11, r4= 6.61,
igr2= 280, 281, 282,
&end
#
# 18 LYS HN 18 LYS HG3 4.14
&rst
ixpk= 0, nxpk= 0, iat= 264, 272, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64, &end
#
# 18 LYS HN 18 LYS QB 4.14
&rst
ixpk= 0, nxpk= 0, iat= 264, -1, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,
igr2= 268, 269,
&end
#
# 18 LYS HN 18 LYS QE 5.33
&rst
ixpk= 0, nxpk= 0, iat= 264, -1, r1= 1.30, r2= 1.80, r3= 5.98, r4= 6.48,
igr2= 277, 278,
&end
#
# 18 LYS HN 19 GLY HN 3.58
&rst
ixpk= 0, nxpk= 0, iat= 264, 286, r1= 1.30, r2= 1.80, r3= 3.58, r4= 4.08, &end
#
# 18 LYS HN 18 LYS HG2 4.14
&rst
ixpk= 0, nxpk= 0, iat= 264, 271, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64, &end
#
# 17 VAL QG2 18 LYS HN 4.80
&rst
ixpk= 0, nxpk= 0, iat= -1, 264, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26,
igr1= 258, 259, 260,
&end
#
# 8 GLN HA 9 PHE HD 4.36
&rst
ixpk= 0, nxpk= 0, iat= 124, -1, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39,
igr2= 147, 155,
&end
#
# 9 PHE HN 9 PHE HD 3.99
&rst
ixpk= 0, nxpk= 0, iat= 139, -1, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98,
igr2= 147, 155,
&end
#
# 8 GLN HB3 9 PHE HD 4.79
&rst
ixpk= 0, nxpk= 0, iat= 127, -1, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88,
igr2= 147, 155,
&end
#
# 9 PHE HD 10 GLY HN 4.90
&rst
ixpk= 0, nxpk= 0, iat= -1, 159, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
igr1= 147, 155,
&end
#
# 44 PRO HA 46 SER HN 4.50
&rst
ixpk= 0, nxpk= 0, iat= 655, 678, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 45 ILE HN 46 SER HN 3.55
&rst
ixpk= 0, nxpk= 0, iat= 659, 678, r1= 1.30, r2= 1.80, r3= 3.55, r4= 4.05, &end
#
# 15 VAL HB 16 ASP HN 4.78
&rst
ixpk= 0, nxpk= 0, iat= 224, 236, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28, &end
#
# 25 CYX HB3 42 GLY HN 5.21
&rst
ixpk= 0, nxpk= 0, iat= 383, 622, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71, &end
#
# 6 LYS HG2 6 LYS HNZ 4.85
&rst
ixpk= 0, nxpk= 0, iat= 93, -1, r1= 1.30, r2= 1.80, r3= 5.82, r4= 6.32,
igr2= 102, 103, 104,
&end
#
# 3 LYS HA 3 LYS QD 3.64
&rst
ixpk= 0, nxpk= 0, iat= 39, -1, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59,
igr2= 47, 48,
&end
#
# 31 GLU HN 32 GLY HN 5.46
&rst
ixpk= 0, nxpk= 0, iat= 469, 484, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96, &end
#
# 25 CYX HB3 32 GLY HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= 383, 484, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 31 GLU HG2 32 GLY HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= 476, 484, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 31 GLU HG3 32 GLY HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= 477, 484, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 31 GLU HA 32 GLY HN 2.67
&rst
ixpk= 0, nxpk= 0, iat= 471, 484, r1= 1.30, r2= 1.80, r3= 2.67, r4= 3.17, &end
#
# 25 CYX HB2 32 GLY HN 4.13
&rst
ixpk= 0, nxpk= 0, iat= 382, 484, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63, &end
#
# 31 GLU HB3 32 GLY HN 3.86
&rst
ixpk= 0, nxpk= 0, iat= 474, 484, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36, &end
#
# 22 LYS HB3 22 LYS HNZ 5.50
&rst
ixpk= 0, nxpk= 0, iat= 320, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 331, 332, 333,
&end
#
# 22 LYS HB3 22 LYS QD 3.97
&rst
ixpk= 0, nxpk= 0, iat= 320, -1, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96,
igr2= 325, 326,
&end
#
# 17 VAL HN 17 VAL HB 3.83
&rst
ixpk= 0, nxpk= 0, iat= 248, 252, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33, &end
#
# 29 ASP HN 30 LYS HN 3.15
&rst
ixpk= 0, nxpk= 0, iat= 435, 447, r1= 1.30, r2= 1.80, r3= 3.15, r4= 3.65, &end
#
# 30 LYS HN 30 LYS QB 3.79
&rst
ixpk= 0, nxpk= 0, iat= 447, -1, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75,
igr2= 451, 452,
&end
#
# 29 ASP HA 30 LYS HN 3.10
&rst
ixpk= 0, nxpk= 0, iat= 437, 447, r1= 1.30, r2= 1.80, r3= 3.10, r4= 3.60, &end
#
# 26 LYS HA 30 LYS HN 3.30
&rst
ixpk= 0, nxpk= 0, iat= 390, 447, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 25 CYX HB3 30 LYS HN 4.07
&rst
ixpk= 0, nxpk= 0, iat= 383, 447, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57, &end
#
# 30 LYS HN 45 ILE QG2 4.10
&rst
ixpk= 0, nxpk= 0, iat= 447, -1, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,
igr2= 665, 666, 667,
&end
#
# 28 GLU HN 30 LYS HN 3.65
&rst
ixpk= 0, nxpk= 0, iat= 420, 447, r1= 1.30, r2= 1.80, r3= 3.65, r4= 4.15, &end
#
# 28 GLU HB2 30 LYS HN 4.07
&rst
ixpk= 0, nxpk= 0, iat= 424, 447, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57, &end
#
# 44 PRO HA 45 ILE HG13 4.32
&rst
ixpk= 0, nxpk= 0, iat= 655, 670, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82, &end
#
# 46 SER HN 46 SER HB3 3.43
&rst
ixpk= 0, nxpk= 0, iat= 678, 683, r1= 1.30, r2= 1.80, r3= 3.43, r4= 3.93, &end
#
# 46 SER HB3 47 TYR HN 4.48
&rst
ixpk= 0, nxpk= 0, iat= 683, 689, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98, &end
#
# 9 PHE HB3 21 CYX HA 4.25
&rst
ixpk= 0, nxpk= 0, iat= 144, 307, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75, &end
#
# 9 PHE HB3 24 HIS HD2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 144, 374, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 8 GLN HG2 11 CYX HN 3.88
&rst
ixpk= 0, nxpk= 0, iat= 129, 166, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38, &end
#
# 11 CYX HN 12 PHE HA 5.09
&rst
ixpk= 0, nxpk= 0, iat= 166, 178, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59, &end
#
# 11 CYX HN 11 CYX HB3 4.05
&rst
ixpk= 0, nxpk= 0, iat= 166, 171, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55, &end
#
# 9 PHE HD 11 CYX HN 5.16
&rst
ixpk= 0, nxpk= 0, iat= -1, 166, r1= 1.30, r2= 1.80, r3= 5.79, r4= 6.29,
igr1= 147, 155,
&end
#
# 11 CYX HN 34 CYX QB 5.36
&rst
ixpk= 0, nxpk= 0, iat= 166, -1, r1= 1.30, r2= 1.80, r3= 6.02, r4= 6.52,
igr2= 514, 515,
&end
#
# 11 CYX HN 11 CYX HB2 4.05
&rst
ixpk= 0, nxpk= 0, iat= 166, 170, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55, &end
#
# 10 GLY HN 11 CYX HN 3.10
&rst
ixpk= 0, nxpk= 0, iat= 159, 166, r1= 1.30, r2= 1.80, r3= 3.10, r4= 3.60, &end
#
# 11 CYX HN 12 PHE HN 4.43
&rst
ixpk= 0, nxpk= 0, iat= 166, 176, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93, &end
#
# 29 ASP HN 29 ASP HB3 4.08
&rst
ixpk= 0, nxpk= 0, iat= 435, 440, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58, &end
#
# 28 GLU HG2 29 ASP HN 5.36
&rst
ixpk= 0, nxpk= 0, iat= 427, 435, r1= 1.30, r2= 1.80, r3= 5.36, r4= 5.86, &end
#
# 27 ALA HN 29 ASP HN 4.17
&rst
ixpk= 0, nxpk= 0, iat= 410, 435, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67, &end
#
# 28 GLU HA 29 ASP HN 3.45
&rst
ixpk= 0, nxpk= 0, iat= 422, 435, r1= 1.30, r2= 1.80, r3= 3.45, r4= 3.95, &end
#
# 29 ASP HN 29 ASP HA 2.54
&rst
ixpk= 0, nxpk= 0, iat= 435, 437, r1= 1.30, r2= 1.80, r3= 2.54, r4= 3.04, &end
#
# 27 ALA QB 29 ASP HN 4.38
&rst
ixpk= 0, nxpk= 0, iat= -1, 435, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76,
igr1= 414, 415, 416,
&end
#
# 29 ASP HN 45 ILE QG2 4.91
&rst
ixpk= 0, nxpk= 0, iat= 435, -1, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,
igr2= 665, 666, 667,
&end
#
# 28 GLU HN 29 ASP HN 2.76
&rst
ixpk= 0, nxpk= 0, iat= 420, 435, r1= 1.30, r2= 1.80, r3= 2.76, r4= 3.26, &end
#
# 9 PHE HE 39 CYX HB2 4.38
&rst
ixpk= 0, nxpk= 0, iat= -1, 584, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,
igr1= 149, 153,
&end
#
# 9 PHE HB3 9 PHE HE 4.65
&rst
ixpk= 0, nxpk= 0, iat= 144, -1, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
igr2= 149, 153,
&end
#
# 9 PHE HE 24 HIS QB 4.08
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
igr1= 149, 153,
igr2= 365, 366,
&end
#
# 9 PHE HA 9 PHE HE 5.24
&rst
ixpk= 0, nxpk= 0, iat= 141, -1, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
igr2= 149, 153,
&end
#
# 9 PHE HE 39 CYX HB3 4.38
&rst
ixpk= 0, nxpk= 0, iat= -1, 585, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,
igr1= 149, 153,
&end
#
# 9 PHE HN 9 PHE HE 5.12
&rst
ixpk= 0, nxpk= 0, iat= 139, -1, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25,
igr2= 149, 153,
&end
#
# 22 LYS QD 26 LYS HN 5.19
&rst
ixpk= 0, nxpk= 0, iat= -1, 388, r1= 1.30, r2= 1.80, r3= 5.83, r4= 6.33,
igr1= 325, 326,
&end
#
# 23 ARG HA 23 ARG HE 5.22
&rst
ixpk= 0, nxpk= 0, iat= 339, 350, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72, &end
#
# 23 ARG HA 26 LYS HB3 3.16
&rst
ixpk= 0, nxpk= 0, iat= 339, 393, r1= 1.30, r2= 1.80, r3= 3.16, r4= 3.66, &end
#
# 23 ARG HA 23 ARG HD3 4.84
&rst
ixpk= 0, nxpk= 0, iat= 339, 348, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34, &end
#
# 23 ARG HA 23 ARG QG 4.13
&rst
ixpk= 0, nxpk= 0, iat= 339, -1, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,
igr2= 344, 345,
&end
#
# 9 PHE HB2 11 CYX HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= 143, 168, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 24 HIS HD2 32 GLY HA3 4.86
&rst
ixpk= 0, nxpk= 0, iat= 374, 487, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36, &end
#
# 33 ILE HA 33 ILE QD1 3.80
&rst
ixpk= 0, nxpk= 0, iat= 493, -1, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06,
igr2= 504, 505, 506,
&end
#
# 33 ILE QG2 33 ILE QD1 3.26
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,
igr1= 497, 498, 499,
igr2= 504, 505, 506,
&end
#
# 33 ILE HB 33 ILE QD1 3.14
&rst
ixpk= 0, nxpk= 0, iat= 495, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr2= 504, 505, 506,
&end
#
# 9 PHE HZ 24 HIS QB 5.27
&rst
ixpk= 0, nxpk= 0, iat= 151, -1, r1= 1.30, r2= 1.80, r3= 5.92, r4= 6.42,
igr2= 365, 366,
&end
#
# 9 PHE HN 9 PHE HB2 3.79
&rst
ixpk= 0, nxpk= 0, iat= 139, 143, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29, &end
#
# 33 ILE HA 33 ILE QG2 3.60
&rst
ixpk= 0, nxpk= 0, iat= 493, -1, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82,
igr2= 497, 498, 499,
&end
#
# 33 ILE HA 34 CYX HN 2.53
&rst
ixpk= 0, nxpk= 0, iat= 493, 510, r1= 1.30, r2= 1.80, r3= 2.53, r4= 3.03, &end
#
# 33 ILE HA 33 ILE HG13 3.56
&rst
ixpk= 0, nxpk= 0, iat= 493, 502, r1= 1.30, r2= 1.80, r3= 3.56, r4= 4.06, &end
#
# 27 ALA QB 28 GLU HG2 3.98
&rst
ixpk= 0, nxpk= 0, iat= -1, 427, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28,
igr1= 414, 415, 416,
&end
#
# 23 ARG HA 27 ALA HN 4.69
&rst
ixpk= 0, nxpk= 0, iat= 339, 410, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19, &end
#
# 26 LYS HB3 27 ALA HN 3.44
&rst
ixpk= 0, nxpk= 0, iat= 393, 410, r1= 1.30, r2= 1.80, r3= 3.44, r4= 3.94, &end
#
# 27 ALA HN 27 ALA QB 2.46
&rst
ixpk= 0, nxpk= 0, iat= 410, -1, r1= 1.30, r2= 1.80, r3= 2.95, r4= 3.45,
igr2= 414, 415, 416,
&end
#
# 27 ALA HN 28 GLU HG2 4.92
&rst
ixpk= 0, nxpk= 0, iat= 410, 427, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42, &end
#
# 25 CYX HA 27 ALA HN 4.39
&rst
ixpk= 0, nxpk= 0, iat= 380, 410, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89, &end
#
# 26 LYS HB2 27 ALA HN 4.13
&rst
ixpk= 0, nxpk= 0, iat= 392, 410, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63, &end
#
# 27 ALA HN 27 ALA HA 2.90
&rst
ixpk= 0, nxpk= 0, iat= 410, 412, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40, &end
#
# 25 CYX HN 27 ALA HN 4.92
&rst
ixpk= 0, nxpk= 0, iat= 378, 410, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42, &end
#
# 35 HIS HA 36 GLY HN 3.14
&rst
ixpk= 0, nxpk= 0, iat= 522, 537, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64, &end
#
# 34 CYX QB 36 GLY HN 4.75
&rst
ixpk= 0, nxpk= 0, iat= -1, 537, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83,
igr1= 514, 515,
&end
#
# 36 GLY HN 37 THR HN 5.23
&rst
ixpk= 0, nxpk= 0, iat= 537, 544, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73, &end
#
# 14 ASN HA 36 GLY HN 3.76
&rst
ixpk= 0, nxpk= 0, iat= 208, 537, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26, &end
#
# 13 ALA QB 15 VAL HN 4.25
&rst
ixpk= 0, nxpk= 0, iat= -1, 220, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
igr1= 200, 201, 202,
&end
#
# 30 LYS QB 30 LYS HNZ 4.77
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.43, r4= 6.93,
igr1= 451, 452,
igr2= 463, 464, 465,
&end
#
# 46 SER HA 47 TYR HN 2.76
&rst
ixpk= 0, nxpk= 0, iat= 680, 689, r1= 1.30, r2= 1.80, r3= 2.76, r4= 3.26, &end
#
# 47 TYR HN 47 TYR HB2 3.34
&rst
ixpk= 0, nxpk= 0, iat= 689, 693, r1= 1.30, r2= 1.80, r3= 3.34, r4= 3.84, &end
#
# 23 ARG HA 25 CYX HN 4.63
&rst
ixpk= 0, nxpk= 0, iat= 339, 378, r1= 1.30, r2= 1.80, r3= 4.63, r4= 5.13, &end
#
# 47 TYR HN 48 LEU HN 3.25
&rst
ixpk= 0, nxpk= 0, iat= 689, 710, r1= 1.30, r2= 1.80, r3= 3.25, r4= 3.75, &end
#
# 3 LYS QD 7 ASN QB 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 47, 48,
igr2= 112, 113,
&end
#
# 28 GLU HA 28 GLU HG2 3.88
&rst
ixpk= 0, nxpk= 0, iat= 422, 427, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38, &end
#
# 3 LYS QB 3 LYS HG2 2.88
&rst
ixpk= 0, nxpk= 0, iat= -1, 44, r1= 1.30, r2= 1.80, r3= 3.23, r4= 3.73,
igr1= 41, 42,
&end
#
# 48 LEU HN 48 LEU QQD 4.72
&rst
ixpk= 0, nxpk= 0, iat= 710, 716, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, &end
#
# 12 PHE HA 12 PHE HD 5.50
&rst
ixpk= 0, nxpk= 0, iat= 178, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 184, 192,
&end
#
# 12 PHE HA 37 THR QG2 3.85
&rst
ixpk= 0, nxpk= 0, iat= 178, -1, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
igr2= 550, 551, 552,
&end
#
# 12 PHE HA 14 ASN HN 4.26
&rst
ixpk= 0, nxpk= 0, iat= 178, 206, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76, &end
#
# 12 PHE HA 12 PHE HD 4.09
&rst
ixpk= 0, nxpk= 0, iat= 178, -1, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09,
igr2= 184, 192,
&end
#
# 18 LYS HA 20 ASP HN 4.40
&rst
ixpk= 0, nxpk= 0, iat= 266, 293, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90, &end
#
# 23 ARG HB3 23 ARG HE 4.03
&rst
ixpk= 0, nxpk= 0, iat= 342, 350, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53, &end
#
# 23 ARG HN 23 ARG HE 5.10
&rst
ixpk= 0, nxpk= 0, iat= 337, 350, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60, &end
#
# 23 ARG HB2 23 ARG HE 3.91
&rst
ixpk= 0, nxpk= 0, iat= 341, 350, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41, &end
#
# 2 HIS HA 3 LYS HN 3.06
&rst
ixpk= 0, nxpk= 0, iat= 22, 37, r1= 1.30, r2= 1.80, r3= 3.06, r4= 3.56, &end
#
# 3 LYS HN 3 LYS QD 3.72
&rst
ixpk= 0, nxpk= 0, iat= 37, -1, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68,
igr2= 47, 48,
&end
#
# 3 LYS HN 3 LYS HG3 4.90
&rst
ixpk= 0, nxpk= 0, iat= 37, 45, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40, &end
#
# 3 LYS HN 3 LYS HG2 4.90
&rst
ixpk= 0, nxpk= 0, iat= 37, 44, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40, &end
#
# 3 LYS HN 3 LYS QE 4.77
&rst
ixpk= 0, nxpk= 0, iat= 37, -1, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85,
igr2= 50, 51,
&end
#
# 3 LYS HN 3 LYS QB 4.03
&rst
ixpk= 0, nxpk= 0, iat= 37, -1, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02,
igr2= 41, 42,
&end
#
# 4 MET HA 4 MET HG2 4.00
&rst
ixpk= 0, nxpk= 0, iat= 61, 66, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 4 MET HN 4 MET HG2 3.71
&rst
ixpk= 0, nxpk= 0, iat= 59, 66, r1= 1.30, r2= 1.80, r3= 3.71, r4= 4.21, &end
#
# 22 LYS HN 22 LYS HB3 3.33
&rst
ixpk= 0, nxpk= 0, iat= 315, 320, r1= 1.30, r2= 1.80, r3= 3.33, r4= 3.83, &end
#
# 21 CYX HB2 22 LYS HN 3.98
&rst
ixpk= 0, nxpk= 0, iat= 309, 315, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48, &end
#
# 20 ASP HA 22 LYS HN 4.72
&rst
ixpk= 0, nxpk= 0, iat= 295, 315, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, &end
#
# 22 LYS HN 23 ARG HN 4.19
&rst
ixpk= 0, nxpk= 0, iat= 315, 337, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69, &end
#
# 22 LYS HN 22 LYS HB2 3.33
&rst
ixpk= 0, nxpk= 0, iat= 315, 319, r1= 1.30, r2= 1.80, r3= 3.33, r4= 3.83, &end
#
# 22 LYS HN 22 LYS QD 4.66
&rst
ixpk= 0, nxpk= 0, iat= 315, -1, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73,
igr2= 325, 326,
&end
#
# 21 CYX HB3 22 LYS HN 4.20
&rst
ixpk= 0, nxpk= 0, iat= 310, 315, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 21 CYX HN 22 LYS HN 4.03
&rst
ixpk= 0, nxpk= 0, iat= 305, 315, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53, &end
#
# 22 LYS HN 22 LYS QG 4.33
&rst
ixpk= 0, nxpk= 0, iat= 315, -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
igr2= 322, 323,
&end
#
# 8 GLN HN 8 GLN HG2 4.06
&rst
ixpk= 0, nxpk= 0, iat= 122, 129, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56, &end
#
# 9 PHE HA 11 CYX HN 4.78
&rst
ixpk= 0, nxpk= 0, iat= 141, 166, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28, &end
#
# 9 PHE HA 9 PHE HD 4.69
&rst
ixpk= 0, nxpk= 0, iat= 141, -1, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76,
igr2= 147, 155,
&end
#
# 30 LYS QB 41 CYX HB3 3.70
&rst
ixpk= 0, nxpk= 0, iat= -1, 617, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65,
igr1= 451, 452,
&end
#
# 41 CYX HB3 42 GLY HA2 4.74
&rst
ixpk= 0, nxpk= 0, iat= 617, 624, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24, &end
#
# 30 LYS QD 41 CYX HB3 3.77
&rst
ixpk= 0, nxpk= 0, iat= -1, 617, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73,
igr1= 457, 458,
&end
#
# 41 CYX HB3 43 VAL HN 4.74
&rst
ixpk= 0, nxpk= 0, iat= 617, 629, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24, &end
#
# 20 ASP QB 22 LYS HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 315, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 297, 298,
&end
#
# 20 ASP QB 22 LYS QG 4.65
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36,
igr1= 297, 298,
igr2= 322, 323,
&end
#
# 20 ASP QB 21 CYX HA 4.49
&rst
ixpk= 0, nxpk= 0, iat= -1, 307, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr1= 297, 298,
&end
#
# 39 CYX HN 39 CYX HB2 3.44
&rst
ixpk= 0, nxpk= 0, iat= 580, 584, r1= 1.30, r2= 1.80, r3= 3.44, r4= 3.94, &end
#
# 38 LYS HB3 39 CYX HN 3.91
&rst
ixpk= 0, nxpk= 0, iat= 563, 580, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41, &end
#
# 39 CYX HN 39 CYX HB3 3.44
&rst
ixpk= 0, nxpk= 0, iat= 580, 585, r1= 1.30, r2= 1.80, r3= 3.44, r4= 3.94, &end
#
# 8 GLN HA 39 CYX HN 4.10
&rst
ixpk= 0, nxpk= 0, iat= 124, 580, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60, &end
#
# 38 LYS HA 39 CYX HN 2.63
&rst
ixpk= 0, nxpk= 0, iat= 560, 580, r1= 1.30, r2= 1.80, r3= 2.63, r4= 3.13, &end
#
# 39 CYX HB2 40 LYS HN 4.62
&rst
ixpk= 0, nxpk= 0, iat= 584, 590, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12, &end
#
# 40 LYS HN 40 LYS QD 5.18
&rst
ixpk= 0, nxpk= 0, iat= 590, -1, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31,
igr2= 600, 601,
&end
#
# 40 LYS HN 41 CYX HN 4.42
&rst
ixpk= 0, nxpk= 0, iat= 590, 612, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92, &end
#
# 33 ILE QD1 40 LYS HN 4.59
&rst
ixpk= 0, nxpk= 0, iat= -1, 590, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01,
igr1= 504, 505, 506,
&end
#
# 40 LYS HN 40 LYS HB3 3.89
&rst
ixpk= 0, nxpk= 0, iat= 590, 595, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39, &end
#
# 39 CYX HN 40 LYS HN 4.92
&rst
ixpk= 0, nxpk= 0, iat= 580, 590, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42, &end
#
# 34 CYX HA 40 LYS HN 3.75
&rst
ixpk= 0, nxpk= 0, iat= 512, 590, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25, &end
#
# 34 CYX HN 40 LYS HN 5.08
&rst
ixpk= 0, nxpk= 0, iat= 510, 590, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58, &end
#
# 40 LYS HN 40 LYS HB2 3.89
&rst
ixpk= 0, nxpk= 0, iat= 590, 594, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39, &end
#
# 39 CYX HA 40 LYS HN 2.67
&rst
ixpk= 0, nxpk= 0, iat= 582, 590, r1= 1.30, r2= 1.80, r3= 2.67, r4= 3.17, &end
#
# 39 CYX HB3 40 LYS HN 4.62
&rst
ixpk= 0, nxpk= 0, iat= 585, 590, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12, &end
#
# 35 HIS HN 40 LYS HN 5.17
&rst
ixpk= 0, nxpk= 0, iat= 520, 590, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67, &end
#
# 21 CYX HA 23 ARG HB2 5.24
&rst
ixpk= 0, nxpk= 0, iat= 307, 341, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74, &end
#
# 31 GLU HA 42 GLY HA3 5.50
&rst
ixpk= 0, nxpk= 0, iat= 471, 625, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 13 ALA HN 37 THR QG2 3.19
&rst
ixpk= 0, nxpk= 0, iat= 196, -1, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33,
igr2= 550, 551, 552,
&end
#
# 37 THR HN 37 THR QG2 3.16
&rst
ixpk= 0, nxpk= 0, iat= 544, -1, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29,
igr2= 550, 551, 552,
&end
#
# 37 THR HA 37 THR QG2 2.74
&rst
ixpk= 0, nxpk= 0, iat= 546, -1, r1= 1.30, r2= 1.80, r3= 3.29, r4= 3.79,
igr2= 550, 551, 552,
&end
#
# 37 THR QG2 38 LYS HN 4.53
&rst
ixpk= 0, nxpk= 0, iat= -1, 558, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94,
igr1= 550, 551, 552,
&end
#
# 30 LYS HA 30 LYS HNZ 3.63
&rst
ixpk= 0, nxpk= 0, iat= 449, -1, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86,
igr2= 463, 464, 465,
&end
#
# 17 VAL HA 17 VAL QG1 2.88
&rst
ixpk= 0, nxpk= 0, iat= 250, -1, r1= 1.30, r2= 1.80, r3= 3.46, r4= 3.96,
igr2= 254, 255, 256,
&end
#
# 17 VAL HN 17 VAL QG1 4.13
&rst
ixpk= 0, nxpk= 0, iat= 248, -1, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,
igr2= 254, 255, 256,
&end
#
# 26 LYS HA 29 ASP HA 3.72
&rst
ixpk= 0, nxpk= 0, iat= 390, 437, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22, &end
#
# 29 ASP HA 45 ILE QG2 3.68
&rst
ixpk= 0, nxpk= 0, iat= 437, -1, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92,
igr2= 665, 666, 667,
&end
#
# 28 GLU HN 29 ASP HA 4.89
&rst
ixpk= 0, nxpk= 0, iat= 420, 437, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39, &end
#
# 21 CYX HB3 23 ARG HN 5.47
&rst
ixpk= 0, nxpk= 0, iat= 310, 337, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97, &end
#
# 22 LYS HB2 22 LYS QD 3.97
&rst
ixpk= 0, nxpk= 0, iat= 319, -1, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96,
igr2= 325, 326,
&end
#
# 6 LYS HG3 6 LYS HNZ 4.85
&rst
ixpk= 0, nxpk= 0, iat= 94, -1, r1= 1.30, r2= 1.80, r3= 5.82, r4= 6.32,
igr2= 102, 103, 104,
&end
#
# 6 LYS HG3 6 LYS QD 2.86
&rst
ixpk= 0, nxpk= 0, iat= 94, -1, r1= 1.30, r2= 1.80, r3= 3.21, r4= 3.71,
igr2= 96, 97,
&end
#
# 18 LYS HN 20 ASP HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= 264, 293, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 33 ILE QG2 33 ILE HG12 2.81
&rst
ixpk= 0, nxpk= 0, iat= -1, 501, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1= 497, 498, 499,
&end
#
# 33 ILE HN 33 ILE QG2 4.45
&rst
ixpk= 0, nxpk= 0, iat= 491, -1, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
igr2= 497, 498, 499,
&end
#
# 33 ILE QG2 33 ILE HG13 2.75
&rst
ixpk= 0, nxpk= 0, iat= -1, 502, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,
igr1= 497, 498, 499,
&end
#
# 43 VAL HA 44 PRO HD2 2.75
&rst
ixpk= 0, nxpk= 0, iat= 631, 646, r1= 1.30, r2= 1.80, r3= 2.75, r4= 3.25, &end
#
# 43 VAL HA 43 VAL HB 2.91
&rst
ixpk= 0, nxpk= 0, iat= 631, 633, r1= 1.30, r2= 1.80, r3= 2.91, r4= 3.41, &end
#
# 31 GLU HN 43 VAL HA 4.51
&rst
ixpk= 0, nxpk= 0, iat= 469, 631, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01, &end
#
# 43 VAL HA 43 VAL QG2 3.26
&rst
ixpk= 0, nxpk= 0, iat= 631, -1, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42,
igr2= 639, 640, 641,
&end
#
# 43 VAL HA 44 PRO HD3 2.50
&rst
ixpk= 0, nxpk= 0, iat= 631, 647, r1= 1.30, r2= 1.80, r3= 2.50, r4= 3.00, &end
#
# 43 VAL HA 43 VAL QG1 2.76
&rst
ixpk= 0, nxpk= 0, iat= 631, -1, r1= 1.30, r2= 1.80, r3= 3.31, r4= 3.81,
igr2= 635, 636, 637,
&end
#
# 22 LYS HB2 22 LYS HNZ 5.50
&rst
ixpk= 0, nxpk= 0, iat= 319, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 331, 332, 333,
&end
#
# 22 LYS HA 22 LYS HNZ 5.25
&rst
ixpk= 0, nxpk= 0, iat= 317, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr2= 331, 332, 333,
&end
#
# 12 PHE HD 15 VAL HB 4.85
&rst
ixpk= 0, nxpk= 0, iat= -1, 224, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94,
igr1= 184, 192,
&end
#
# 27 ALA HN 28 GLU HG3 5.48
&rst
ixpk= 0, nxpk= 0, iat= 410, 428, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98, &end
#
# 23 ARG HA 23 ARG HD2 4.84
&rst
ixpk= 0, nxpk= 0, iat= 339, 347, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34, &end
#
# 23 ARG HN 23 ARG HD2 4.78
&rst
ixpk= 0, nxpk= 0, iat= 337, 347, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28, &end
#
# 23 ARG HN 23 ARG HB2 3.38
&rst
ixpk= 0, nxpk= 0, iat= 337, 341, r1= 1.30, r2= 1.80, r3= 3.38, r4= 3.88, &end
#
# 23 ARG HB2 23 ARG HD2 3.73
&rst
ixpk= 0, nxpk= 0, iat= 341, 347, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23, &end
#
# 23 ARG HB2 23 ARG HD3 3.73
&rst
ixpk= 0, nxpk= 0, iat= 341, 348, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23, &end
#
# 32 GLY HA3 41 CYX HA 4.79
&rst
ixpk= 0, nxpk= 0, iat= 487, 614, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29, &end
#
# 30 LYS QB 41 CYX HA 4.41
&rst
ixpk= 0, nxpk= 0, iat= -1, 614, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1= 451, 452,
&end
#
# 33 ILE HN 41 CYX HA 4.16
&rst
ixpk= 0, nxpk= 0, iat= 491, 614, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66, &end
#
# 33 ILE HG13 41 CYX HA 4.60
&rst
ixpk= 0, nxpk= 0, iat= 502, 614, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, &end
#
# 25 CYX HB3 41 CYX HA 4.29
&rst
ixpk= 0, nxpk= 0, iat= 383, 614, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79, &end
#
# 32 GLY HA2 41 CYX HA 3.56
&rst
ixpk= 0, nxpk= 0, iat= 486, 614, r1= 1.30, r2= 1.80, r3= 3.56, r4= 4.06, &end
#
# 30 LYS QB 30 LYS QE 4.29
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.41, r4= 5.91,
igr1= 451, 452,
igr2= 460, 461,
&end
#
# 45 ILE QD1 46 SER HN 3.31
&rst
ixpk= 0, nxpk= 0, iat= -1, 678, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48,
igr1= 672, 673, 674,
&end
#
# 45 ILE QD1 47 TYR HN 4.30
&rst
ixpk= 0, nxpk= 0, iat= -1, 689, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
igr1= 672, 673, 674,
&end
#
# 45 ILE HA 45 ILE QD1 3.78
&rst
ixpk= 0, nxpk= 0, iat= 661, -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
igr2= 672, 673, 674,
&end
#
# 45 ILE HB 45 ILE QD1 2.74
&rst
ixpk= 0, nxpk= 0, iat= 663, -1, r1= 1.30, r2= 1.80, r3= 3.29, r4= 3.79,
igr2= 672, 673, 674,
&end
#
# 33 ILE HN 40 LYS HN 3.99
&rst
ixpk= 0, nxpk= 0, iat= 491, 590, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49, &end
#
# 33 ILE HN 33 ILE HG13 4.09
&rst
ixpk= 0, nxpk= 0, iat= 491, 502, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59, &end
#
# 33 ILE HN 35 HIS HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= 491, 520, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 32 GLY HA2 33 ILE HN 3.04
&rst
ixpk= 0, nxpk= 0, iat= 486, 491, r1= 1.30, r2= 1.80, r3= 3.04, r4= 3.54, &end
#
# 33 ILE HN 33 ILE HB 3.82
&rst
ixpk= 0, nxpk= 0, iat= 491, 495, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32, &end
#
# 45 ILE QD1 46 SER HA 4.22
&rst
ixpk= 0, nxpk= 0, iat= -1, 680, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,
igr1= 672, 673, 674,
&end
#
# 22 LYS HA 22 LYS QE 4.46
&rst
ixpk= 0, nxpk= 0, iat= 317, -1, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51,
igr2= 328, 329,
&end
#
# 22 LYS HA 32 GLY HN 3.39
&rst
ixpk= 0, nxpk= 0, iat= 317, 484, r1= 1.30, r2= 1.80, r3= 3.39, r4= 3.89, &end
#
# 22 LYS HA 32 GLY HA3 3.26
&rst
ixpk= 0, nxpk= 0, iat= 317, 487, r1= 1.30, r2= 1.80, r3= 3.26, r4= 3.76, &end
#
# 22 LYS HA 22 LYS QD 3.51
&rst
ixpk= 0, nxpk= 0, iat= 317, -1, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44,
igr2= 325, 326,
&end
#
# 22 LYS HA 22 LYS QG 3.87
&rst
ixpk= 0, nxpk= 0, iat= 317, -1, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84,
igr2= 322, 323,
&end
#
# 22 LYS HA 31 GLU HA 4.11
&rst
ixpk= 0, nxpk= 0, iat= 317, 471, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61, &end
#
# 22 LYS HA 25 CYX HB2 4.08
&rst
ixpk= 0, nxpk= 0, iat= 317, 382, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58, &end
#
# 22 LYS HA 25 CYX HN 4.32
&rst
ixpk= 0, nxpk= 0, iat= 317, 378, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82, &end
#
# 8 GLN HN 8 GLN HE21 4.96
&rst
ixpk= 0, nxpk= 0, iat= 122, 134, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46, &end
#
# 20 ASP QB 22 LYS QD 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 297, 298,
igr2= 325, 326,
&end
#
# 33 ILE QD1 34 CYX HA 4.38
&rst
ixpk= 0, nxpk= 0, iat= -1, 512, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76,
igr1= 504, 505, 506,
&end
#
# 33 ILE HA 34 CYX HA 4.54
&rst
ixpk= 0, nxpk= 0, iat= 493, 512, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04, &end
#
# 34 CYX HA 39 CYX HA 3.28
&rst
ixpk= 0, nxpk= 0, iat= 512, 582, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78, &end
#
# 33 ILE QD1 34 CYX HN 4.46
&rst
ixpk= 0, nxpk= 0, iat= -1, 510, r1= 1.30, r2= 1.80, r3= 5.36, r4= 5.86,
igr1= 504, 505, 506,
&end
#
# 33 ILE QD1 41 CYX HN 4.74
&rst
ixpk= 0, nxpk= 0, iat= -1, 612, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
igr1= 504, 505, 506,
&end
#
# 33 ILE HN 34 CYX HN 4.59
&rst
ixpk= 0, nxpk= 0, iat= 491, 510, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09, &end
#
# 33 ILE HB 34 CYX HN 3.98
&rst
ixpk= 0, nxpk= 0, iat= 495, 510, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48, &end
#
# 43 VAL QG2 44 PRO HD2 4.10
&rst
ixpk= 0, nxpk= 0, iat= -1, 646, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,
igr1= 639, 640, 641,
&end
#
# 31 GLU HN 43 VAL QG2 4.31
&rst
ixpk= 0, nxpk= 0, iat= 469, -1, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68,
igr2= 639, 640, 641,
&end
#
# 43 VAL QG2 46 SER HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 678, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 639, 640, 641,
&end
#
# 43 VAL QG2 44 PRO HD3 4.46
&rst
ixpk= 0, nxpk= 0, iat= -1, 647, r1= 1.30, r2= 1.80, r3= 5.36, r4= 5.86,
igr1= 639, 640, 641,
&end
#
# 18 LYS HG3 18 LYS HNZ 4.82
&rst
ixpk= 0, nxpk= 0, iat= 272, -1, r1= 1.30, r2= 1.80, r3= 5.79, r4= 6.29,
igr2= 280, 281, 282,
&end
#
# 15 VAL QG1 16 ASP HN 3.26
&rst
ixpk= 0, nxpk= 0, iat= -1, 236, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42,
igr1= 226, 227, 228,
&end
#
# 15 VAL HN 15 VAL QG1 3.94
&rst
ixpk= 0, nxpk= 0, iat= 220, -1, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,
igr2= 226, 227, 228,
&end
#
# 15 VAL HA 16 ASP HN 2.78
&rst
ixpk= 0, nxpk= 0, iat= 222, 236, r1= 1.30, r2= 1.80, r3= 2.78, r4= 3.28, &end
#
# 15 VAL HA 15 VAL QG1 2.88
&rst
ixpk= 0, nxpk= 0, iat= 222, -1, r1= 1.30, r2= 1.80, r3= 3.46, r4= 3.96,
igr2= 226, 227, 228,
&end
#
# 6 LYS HA 6 LYS HNZ 5.50
&rst
ixpk= 0, nxpk= 0, iat= 88, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 102, 103, 104,
&end
#
# 5 ALA HN 8 GLN HE21 5.50
&rst
ixpk= 0, nxpk= 0, iat= 76, 134, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 8 GLN HB2 9 PHE HD 4.37
&rst
ixpk= 0, nxpk= 0, iat= 126, -1, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,
igr2= 147, 155,
&end
#
# 8 GLN HB2 8 GLN HE21 4.39
&rst
ixpk= 0, nxpk= 0, iat= 126, 134, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89, &end
#
# 8 GLN HB2 8 GLN HE22 4.70
&rst
ixpk= 0, nxpk= 0, iat= 126, 135, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, &end
#
# 8 GLN HB2 9 PHE HN 4.57
&rst
ixpk= 0, nxpk= 0, iat= 126, 139, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07, &end
#
# 8 GLN HN 8 GLN HB2 3.73
&rst
ixpk= 0, nxpk= 0, iat= 122, 126, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23, &end
#
# 38 LYS HN 38 LYS HB3 3.95
&rst
ixpk= 0, nxpk= 0, iat= 558, 563, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45, &end
#
# 16 ASP HN 17 VAL HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= 236, 248, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 17 VAL HN 18 LYS HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= 248, 264, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 44 PRO HA 45 ILE HN 2.59
&rst
ixpk= 0, nxpk= 0, iat= 655, 659, r1= 1.30, r2= 1.80, r3= 2.59, r4= 3.09, &end
#
# 45 ILE HN 45 ILE HG12 3.63
&rst
ixpk= 0, nxpk= 0, iat= 659, 669, r1= 1.30, r2= 1.80, r3= 3.63, r4= 4.13, &end
#
# 44 PRO HB2 45 ILE HN 4.18
&rst
ixpk= 0, nxpk= 0, iat= 652, 659, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68, &end
#
# 44 PRO HB3 45 ILE HN 4.18
&rst
ixpk= 0, nxpk= 0, iat= 653, 659, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68, &end
#
# 45 ILE HN 45 ILE QG2 4.09
&rst
ixpk= 0, nxpk= 0, iat= 659, -1, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,
igr2= 665, 666, 667,
&end
#
# 45 ILE HN 45 ILE HB 3.64
&rst
ixpk= 0, nxpk= 0, iat= 659, 663, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14, &end
#
# 47 TYR HA 47 TYR HB3 3.00
&rst
ixpk= 0, nxpk= 0, iat= 691, 694, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 47 TYR HN 47 TYR HB3 3.72
&rst
ixpk= 0, nxpk= 0, iat= 689, 694, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22, &end
#
# 48 LEU HA 48 LEU QQD 3.60
&rst
ixpk= 0, nxpk= 0, iat= 712, 716, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10, &end
#
# 48 LEU HA 48 LEU QB 3.00
&rst
ixpk= 0, nxpk= 0, iat= 712, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2= 714, 715,
&end
#
# 6 LYS HA 6 LYS QE 4.91
&rst
ixpk= 0, nxpk= 0, iat= 88, -1, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01,
igr2= 99, 100,
&end
#
# 6 LYS HN 6 LYS QE 5.32
&rst
ixpk= 0, nxpk= 0, iat= 86, -1, r1= 1.30, r2= 1.80, r3= 5.97, r4= 6.47,
igr2= 99, 100,
&end
#
# 3 LYS QB 3 LYS QE 4.46
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.62, r4= 6.12,
igr1= 41, 42,
igr2= 50, 51,
&end
#
# 9 PHE HD 39 CYX HB2 3.63
&rst
ixpk= 0, nxpk= 0, iat= -1, 584, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57,
igr1= 147, 155,
&end
#
# 9 PHE HB3 9 PHE HD 3.13
&rst
ixpk= 0, nxpk= 0, iat= 144, -1, r1= 1.30, r2= 1.80, r3= 3.51, r4= 4.01,
igr2= 147, 155,
&end
#
# 9 PHE HD 24 HIS QB 3.77
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25,
igr1= 147, 155,
igr2= 365, 366,
&end
#
# 7 ASN HA 7 ASN HD22 4.19
&rst
ixpk= 0, nxpk= 0, iat= 110, 118, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69, &end
#
# 9 PHE HA 9 PHE HD 3.51
&rst
ixpk= 0, nxpk= 0, iat= 141, -1, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44,
igr2= 147, 155,
&end
#
# 9 PHE HD 39 CYX HB3 3.63
&rst
ixpk= 0, nxpk= 0, iat= -1, 585, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57,
igr1= 147, 155,
&end
#
# 9 PHE HB2 9 PHE HD 3.71
&rst
ixpk= 0, nxpk= 0, iat= 143, -1, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66,
igr2= 147, 155,
&end
#
# 9 PHE HD 21 CYX HA 4.47
&rst
ixpk= 0, nxpk= 0, iat= -1, 307, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52,
igr1= 147, 155,
&end
#
# 9 PHE HD 24 HIS HD2 4.80
&rst
ixpk= 0, nxpk= 0, iat= -1, 374, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1= 147, 155,
&end
#
# 7 ASN HN 8 GLN HE21 5.50
&rst
ixpk= 0, nxpk= 0, iat= 108, 134, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 7 ASN HN 7 ASN QB 3.04
&rst
ixpk= 0, nxpk= 0, iat= 108, -1, r1= 1.30, r2= 1.80, r3= 3.41, r4= 3.91,
igr2= 112, 113,
&end
#
# 3 LYS QB 7 ASN HN 4.93
&rst
ixpk= 0, nxpk= 0, iat= -1, 108, r1= 1.30, r2= 1.80, r3= 5.53, r4= 6.03,
igr1= 41, 42,
&end
#
# 7 ASN HN 9 PHE HN 3.74
&rst
ixpk= 0, nxpk= 0, iat= 108, 139, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24, &end
#
# 7 ASN HN 8 GLN HN 3.41
&rst
ixpk= 0, nxpk= 0, iat= 108, 122, r1= 1.30, r2= 1.80, r3= 3.41, r4= 3.91, &end
#
# 5 ALA QB 7 ASN HN 4.65
&rst
ixpk= 0, nxpk= 0, iat= -1, 108, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08,
igr1= 80, 81, 82,
&end
#
# 18 LYS QB 18 LYS QD 2.87
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.62, r4= 4.12,
igr1= 268, 269,
igr2= 274, 275,
&end
#
# 18 LYS QB 18 LYS HNZ 4.54
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.12, r4= 6.62,
igr1= 268, 269,
igr2= 280, 281, 282,
&end
#
# 15 VAL HN 34 CYX QB 4.56
&rst
ixpk= 0, nxpk= 0, iat= 220, -1, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
igr2= 514, 515,
&end
#
# 11 CYX HB3 34 CYX QB 3.84
&rst
ixpk= 0, nxpk= 0, iat= 171, -1, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81,
igr2= 514, 515,
&end
#
# 34 CYX HN 34 CYX QB 3.10
&rst
ixpk= 0, nxpk= 0, iat= 510, -1, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98,
igr2= 514, 515,
&end
#
# 34 CYX QB 35 HIS HN 3.83
&rst
ixpk= 0, nxpk= 0, iat= -1, 520, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,
igr1= 514, 515,
&end
#
# 11 CYX HB2 34 CYX QB 3.84
&rst
ixpk= 0, nxpk= 0, iat= 170, -1, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81,
igr2= 514, 515,
&end
#
# 11 CYX HA 34 CYX QB 4.41
&rst
ixpk= 0, nxpk= 0, iat= 168, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr2= 514, 515,
&end
#
# 28 GLU HA 28 GLU HG3 3.87
&rst
ixpk= 0, nxpk= 0, iat= 422, 428, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37, &end
#
# 28 GLU HN 28 GLU HG3 3.59
&rst
ixpk= 0, nxpk= 0, iat= 420, 428, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09, &end
#
# 23 ARG HN 23 ARG HD3 4.78
&rst
ixpk= 0, nxpk= 0, iat= 337, 348, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28, &end
#
# 26 LYS HA 27 ALA QB 5.10
&rst
ixpk= 0, nxpk= 0, iat= 390, -1, r1= 1.30, r2= 1.80, r3= 6.12, r4= 6.62,
igr2= 414, 415, 416,
&end
#
# 47 TYR HA 47 TYR HD 3.82
&rst
ixpk= 0, nxpk= 0, iat= 691, -1, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79,
igr2= 697, 706,
&end
#
# 47 TYR HN 47 TYR HD 4.26
&rst
ixpk= 0, nxpk= 0, iat= 689, -1, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28,
igr2= 697, 706,
&end
#
# 47 TYR HB3 47 TYR HD 3.65
&rst
ixpk= 0, nxpk= 0, iat= 694, -1, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,
igr2= 697, 706,
&end
#
# 14 ASN HN 37 THR HN 5.13
&rst
ixpk= 0, nxpk= 0, iat= 206, 544, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63, &end
#
# 31 GLU HA 31 GLU HG2 3.92
&rst
ixpk= 0, nxpk= 0, iat= 471, 476, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42, &end
#
# 45 ILE HA 45 ILE HG13 3.86
&rst
ixpk= 0, nxpk= 0, iat= 661, 670, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36, &end
#
# 7 ASN QB 7 ASN HD22 3.49
&rst
ixpk= 0, nxpk= 0, iat= -1, 118, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42,
igr1= 112, 113,
&end
#
# 7 ASN HN 7 ASN HD22 5.06
&rst
ixpk= 0, nxpk= 0, iat= 108, 118, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56, &end
#
# 26 LYS HA 29 ASP HN 3.54
&rst
ixpk= 0, nxpk= 0, iat= 390, 435, r1= 1.30, r2= 1.80, r3= 3.54, r4= 4.04, &end
#
# 22 LYS QD 26 LYS HA 5.38
&rst
ixpk= 0, nxpk= 0, iat= -1, 390, r1= 1.30, r2= 1.80, r3= 6.04, r4= 6.54,
igr1= 325, 326,
&end
#
# 26 LYS HA 45 ILE QG2 3.62
&rst
ixpk= 0, nxpk= 0, iat= 390, -1, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85,
igr2= 665, 666, 667,
&end
#
# 25 CYX HB3 32 GLY HA2 4.54
&rst
ixpk= 0, nxpk= 0, iat= 383, 486, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04, &end
#
# 31 GLU HN 41 CYX HB2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 469, 616, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 5 ALA HA 11 CYX HN 4.41
&rst
ixpk= 0, nxpk= 0, iat= 78, 166, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91, &end
#
# 8 GLN HA 8 GLN HE21 4.90
&rst
ixpk= 0, nxpk= 0, iat= 124, 134, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40, &end
#
# 41 CYX HB3 43 VAL HA 5.45
&rst
ixpk= 0, nxpk= 0, iat= 617, 631, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95, &end
#
# 5 ALA HA 8 GLN HN 3.93
&rst
ixpk= 0, nxpk= 0, iat= 78, 122, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, &end
#
# 5 ALA HA 10 GLY HN 4.60
&rst
ixpk= 0, nxpk= 0, iat= 78, 159, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, &end
#
# 37 THR HA 37 THR HB 2.74
&rst
ixpk= 0, nxpk= 0, iat= 546, 548, r1= 1.30, r2= 1.80, r3= 2.74, r4= 3.24, &end
#
# 12 PHE HB3 37 THR HA 3.32
&rst
ixpk= 0, nxpk= 0, iat= 181, 546, r1= 1.30, r2= 1.80, r3= 3.32, r4= 3.82, &end
#
# 43 VAL HB 44 PRO HD3 3.63
&rst
ixpk= 0, nxpk= 0, iat= 633, 647, r1= 1.30, r2= 1.80, r3= 3.63, r4= 4.13, &end
#
# 43 VAL QG1 44 PRO HD3 4.14
&rst
ixpk= 0, nxpk= 0, iat= -1, 647, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47,
igr1= 635, 636, 637,
&end
#
# 43 VAL QG1 44 PRO HD2 3.46
&rst
ixpk= 0, nxpk= 0, iat= -1, 646, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66,
igr1= 635, 636, 637,
&end
#
# 33 ILE QD1 35 HIS HN 4.80
&rst
ixpk= 0, nxpk= 0, iat= -1, 520, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26,
igr1= 504, 505, 506,
&end
#
# 35 HIS HN 36 GLY HN 4.40
&rst
ixpk= 0, nxpk= 0, iat= 520, 537, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90, &end
#
# 35 HIS HN 35 HIS HB2 3.87
&rst
ixpk= 0, nxpk= 0, iat= 520, 524, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37, &end
#
# 35 HIS HN 35 HIS HB3 3.87
&rst
ixpk= 0, nxpk= 0, iat= 520, 525, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37, &end
#
# 34 CYX HA 35 HIS HN 2.80
&rst
ixpk= 0, nxpk= 0, iat= 512, 520, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 34 CYX HN 35 HIS HN 4.83
&rst
ixpk= 0, nxpk= 0, iat= 510, 520, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33, &end
#
# 35 HIS HN 39 CYX HA 4.19
&rst
ixpk= 0, nxpk= 0, iat= 520, 582, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69, &end
#
# 22 LYS HA 32 GLY HA2 4.19
&rst
ixpk= 0, nxpk= 0, iat= 317, 486, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69, &end
#
# 18 LYS QB 18 LYS QE 5.41
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.82, r4= 7.32,
igr1= 268, 269,
igr2= 277, 278,
&end
#
# 18 LYS HA 18 LYS QE 4.14
&rst
ixpk= 0, nxpk= 0, iat= 266, -1, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,
igr2= 277, 278,
&end
#
# 23 ARG HN 23 ARG QG 4.36
&rst
ixpk= 0, nxpk= 0, iat= 337, -1, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39,
igr2= 344, 345,
&end
#
# 40 LYS HA 40 LYS QE 4.79
&rst
ixpk= 0, nxpk= 0, iat= 592, -1, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88,
igr2= 603, 604,
&end
#
# 40 LYS QG 40 LYS QE 3.61
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05,
igr1= 597, 598,
igr2= 603, 604,
&end
#
# 30 LYS QD 43 VAL HB 5.26
&rst
ixpk= 0, nxpk= 0, iat= -1, 633, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,
igr1= 457, 458,
&end
#
# 30 LYS QG 30 LYS QD 2.85
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09,
igr1= 454, 455,
igr2= 457, 458,
&end
#
# 30 LYS QD 31 GLU HN 3.76
&rst
ixpk= 0, nxpk= 0, iat= -1, 469, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72,
igr1= 457, 458,
&end
#
# 30 LYS QB 30 LYS QD 2.80
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1= 451, 452,
igr2= 457, 458,
&end
#
# 30 LYS QD 44 PRO HA 3.88
&rst
ixpk= 0, nxpk= 0, iat= -1, 655, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86,
igr1= 457, 458,
&end
#
# 25 CYX HB3 30 LYS QD 5.50
&rst
ixpk= 0, nxpk= 0, iat= 383, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 457, 458,
&end
#
# 30 LYS HA 30 LYS QD 3.51
&rst
ixpk= 0, nxpk= 0, iat= 449, -1, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44,
igr2= 457, 458,
&end
#
# 12 PHE HB3 13 ALA HN 4.07
&rst
ixpk= 0, nxpk= 0, iat= 181, 196, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57, &end
#
# 47 TYR HB2 48 LEU HN 4.64
&rst
ixpk= 0, nxpk= 0, iat= 693, 710, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14, &end
#
# 48 LEU HN 48 LEU HG 4.11
&rst
ixpk= 0, nxpk= 0, iat= 710, 717, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61, &end
#
# 48 LEU HN 48 LEU QB 3.24
&rst
ixpk= 0, nxpk= 0, iat= 710, -1, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14,
igr2= 714, 715,
&end
#
# 41 CYX HN 41 CYX HB2 3.19
&rst
ixpk= 0, nxpk= 0, iat= 612, 616, r1= 1.30, r2= 1.80, r3= 3.19, r4= 3.69, &end
#
# 30 LYS QB 41 CYX HB2 3.56
&rst
ixpk= 0, nxpk= 0, iat= -1, 616, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
igr1= 451, 452,
&end
#
# 25 CYX HB3 41 CYX HB2 5.02
&rst
ixpk= 0, nxpk= 0, iat= 383, 616, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52, &end
#
# 30 LYS QD 41 CYX HB2 4.25
&rst
ixpk= 0, nxpk= 0, iat= -1, 616, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,
igr1= 457, 458,
&end
#
# 24 HIS HA 24 HIS HD2 5.02
&rst
ixpk= 0, nxpk= 0, iat= 363, 374, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52, &end
#
# 9 PHE HN 9 PHE HZ 5.50
&rst
ixpk= 0, nxpk= 0, iat= 139, 151, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 7 ASN HA 9 PHE HN 4.10
&rst
ixpk= 0, nxpk= 0, iat= 110, 139, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60, &end
#
# 8 GLN HN 9 PHE HN 3.47
&rst
ixpk= 0, nxpk= 0, iat= 122, 139, r1= 1.30, r2= 1.80, r3= 3.47, r4= 3.97, &end
#
# 33 ILE HB 35 HIS HD2 4.44
&rst
ixpk= 0, nxpk= 0, iat= 495, 533, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94, &end
#
# 33 ILE HB 40 LYS HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= 495, 590, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 3 LYS HG2 3 LYS QE 4.22
&rst
ixpk= 0, nxpk= 0, iat= 44, -1, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,
igr2= 50, 51,
&end
#
# 31 GLU HA 31 GLU HG3 3.92
&rst
ixpk= 0, nxpk= 0, iat= 471, 477, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42, &end
#
# 22 LYS QG 23 ARG HN 4.62
&rst
ixpk= 0, nxpk= 0, iat= -1, 337, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,
igr1= 322, 323,
&end
#
# 22 LYS QG 22 LYS HNZ 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 322, 323,
igr2= 331, 332, 333,
&end
#
# 30 LYS HA 42 GLY HN 5.13
&rst
ixpk= 0, nxpk= 0, iat= 449, 622, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63, &end
#
# 30 LYS HA 30 LYS QE 5.12
&rst
ixpk= 0, nxpk= 0, iat= 449, -1, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25,
igr2= 460, 461,
&end
#
# 18 LYS HG2 18 LYS HNZ 4.82
&rst
ixpk= 0, nxpk= 0, iat= 271, -1, r1= 1.30, r2= 1.80, r3= 5.79, r4= 6.29,
igr2= 280, 281, 282,
&end
#
# 45 ILE QD1 47 TYR HE 4.75
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.40, r4= 6.90,
igr1= 672, 673, 674,
igr2= 699, 704,
&end
#
# 47 TYR HB2 47 TYR HE 4.91
&rst
ixpk= 0, nxpk= 0, iat= 693, -1, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01,
igr2= 699, 704,
&end
#
# 17 VAL HA 17 VAL QG2 2.88
&rst
ixpk= 0, nxpk= 0, iat= 250, -1, r1= 1.30, r2= 1.80, r3= 3.46, r4= 3.96,
igr2= 258, 259, 260,
&end
#
# 17 VAL HN 17 VAL QG2 4.13
&rst
ixpk= 0, nxpk= 0, iat= 248, -1, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,
igr2= 258, 259, 260,
&end
#
# 6 LYS HA 8 GLN HN 4.82
&rst
ixpk= 0, nxpk= 0, iat= 88, 122, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32, &end
#
# 5 ALA HN 8 GLN HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= 76, 122, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 8 GLN HN 8 GLN HE22 5.15
&rst
ixpk= 0, nxpk= 0, iat= 122, 135, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65, &end
#
# 11 CYX HA 15 VAL HN 4.92
&rst
ixpk= 0, nxpk= 0, iat= 168, 220, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42, &end
#
# 11 CYX HA 12 PHE HA 4.51
&rst
ixpk= 0, nxpk= 0, iat= 168, 178, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01, &end
#
# 4 MET HA 4 MET HG3 4.00
&rst
ixpk= 0, nxpk= 0, iat= 61, 67, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 26 LYS HB3 26 LYS QE 4.71
&rst
ixpk= 0, nxpk= 0, iat= 393, -1, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79,
igr2= 401, 402,
&end
#
# 26 LYS HA 26 LYS QE 5.50
&rst
ixpk= 0, nxpk= 0, iat= 390, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 401, 402,
&end
#
# 4 MET HN 7 ASN HN 3.98
&rst
ixpk= 0, nxpk= 0, iat= 59, 108, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48, &end
#
# 3 LYS HA 4 MET HN 2.59
&rst
ixpk= 0, nxpk= 0, iat= 39, 59, r1= 1.30, r2= 1.80, r3= 2.59, r4= 3.09, &end
#
# 4 MET HN 4 MET HG3 3.71
&rst
ixpk= 0, nxpk= 0, iat= 59, 67, r1= 1.30, r2= 1.80, r3= 3.71, r4= 4.21, &end
#
# 3 LYS QB 4 MET HN 4.36
&rst
ixpk= 0, nxpk= 0, iat= -1, 59, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39,
igr1= 41, 42,
&end
#
# 3 LYS HG3 3 LYS QE 4.22
&rst
ixpk= 0, nxpk= 0, iat= 45, -1, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,
igr2= 50, 51,
&end
#
# 3 LYS HA 3 LYS QE 4.89
&rst
ixpk= 0, nxpk= 0, iat= 39, -1, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99,
igr2= 50, 51,
&end
#
# 48 LEU QB 48 LEU QQD 3.39
&rst
ixpk= 0, nxpk= 0, iat= -1, 716, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31,
igr1= 714, 715,
&end
#
# 48 LEU QB 48 LEU HG 2.40
&rst
ixpk= 0, nxpk= 0, iat= -1, 717, r1= 1.30, r2= 1.80, r3= 2.69, r4= 3.19,
igr1= 714, 715,
&end
#
# 23 ARG HB3 24 HIS HN 3.75
&rst
ixpk= 0, nxpk= 0, iat= 342, 361, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25, &end
#
# 23 ARG HN 24 HIS HN 3.50
&rst
ixpk= 0, nxpk= 0, iat= 337, 361, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 23 ARG HB2 24 HIS HN 3.52
&rst
ixpk= 0, nxpk= 0, iat= 341, 361, r1= 1.30, r2= 1.80, r3= 3.52, r4= 4.02, &end
#
# 21 CYX HA 24 HIS HN 3.63
&rst
ixpk= 0, nxpk= 0, iat= 307, 361, r1= 1.30, r2= 1.80, r3= 3.63, r4= 4.13, &end
#
# 33 ILE HN 33 ILE QD1 3.07
&rst
ixpk= 0, nxpk= 0, iat= 491, -1, r1= 1.30, r2= 1.80, r3= 3.69, r4= 4.19,
igr2= 504, 505, 506,
&end
#
# 45 ILE QG2 45 ILE HG13 3.12
&rst
ixpk= 0, nxpk= 0, iat= -1, 670, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25,
igr1= 665, 666, 667,
&end
#
# 45 ILE QG2 45 ILE HG12 2.77
&rst
ixpk= 0, nxpk= 0, iat= -1, 669, r1= 1.30, r2= 1.80, r3= 3.33, r4= 3.83,
igr1= 665, 666, 667,
&end
#
# 45 ILE HA 45 ILE QG2 3.72
&rst
ixpk= 0, nxpk= 0, iat= 661, -1, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97,
igr2= 665, 666, 667,
&end
#
# 27 ALA QB 28 GLU HN 3.32
&rst
ixpk= 0, nxpk= 0, iat= -1, 420, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49,
igr1= 414, 415, 416,
&end
#
# 26 LYS HA 28 GLU HN 4.20
&rst
ixpk= 0, nxpk= 0, iat= 390, 420, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 25 CYX HA 28 GLU HN 4.15
&rst
ixpk= 0, nxpk= 0, iat= 380, 420, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65, &end
#
# 26 LYS HN 28 GLU HN 4.47
&rst
ixpk= 0, nxpk= 0, iat= 388, 420, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97, &end
#
# 28 GLU HN 28 GLU HB2 3.51
&rst
ixpk= 0, nxpk= 0, iat= 420, 424, r1= 1.30, r2= 1.80, r3= 3.51, r4= 4.01, &end
#
# 12 PHE HB2 13 ALA HN 4.43
&rst
ixpk= 0, nxpk= 0, iat= 180, 196, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93, &end
#
# 13 ALA HN 14 ASN HN 3.06
&rst
ixpk= 0, nxpk= 0, iat= 196, 206, r1= 1.30, r2= 1.80, r3= 3.06, r4= 3.56, &end
#
# 13 ALA QB 14 ASN HN 3.65
&rst
ixpk= 0, nxpk= 0, iat= -1, 206, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,
igr1= 200, 201, 202,
&end
#
# 14 ASN HN 36 GLY HN 3.79
&rst
ixpk= 0, nxpk= 0, iat= 206, 537, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29, &end
#
# 14 ASN HN 15 VAL HN 3.25
&rst
ixpk= 0, nxpk= 0, iat= 206, 220, r1= 1.30, r2= 1.80, r3= 3.25, r4= 3.75, &end
#
# 14 ASN HN 34 CYX QB 4.37
&rst
ixpk= 0, nxpk= 0, iat= 206, -1, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,
igr2= 514, 515,
&end
#
# 13 ALA HA 14 ASN HN 3.12
&rst
ixpk= 0, nxpk= 0, iat= 198, 206, r1= 1.30, r2= 1.80, r3= 3.12, r4= 3.62, &end
#
# 14 ASN HN 14 ASN HB2 4.04
&rst
ixpk= 0, nxpk= 0, iat= 206, 210, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54, &end
#
# 14 ASN HN 14 ASN HA 2.72
&rst
ixpk= 0, nxpk= 0, iat= 206, 208, r1= 1.30, r2= 1.80, r3= 2.72, r4= 3.22, &end
#
# 25 CYX HA 29 ASP HN 5.43
&rst
ixpk= 0, nxpk= 0, iat= 380, 435, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93, &end
#
# 25 CYX HA 28 GLU HG3 4.06
&rst
ixpk= 0, nxpk= 0, iat= 380, 428, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56, &end
#
# 38 LYS HA 38 LYS HD3 4.28
&rst
ixpk= 0, nxpk= 0, iat= 560, 569, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78, &end
#
# 38 LYS HA 38 LYS HD2 4.28
&rst
ixpk= 0, nxpk= 0, iat= 560, 568, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78, &end
#
# 8 GLN HB3 8 GLN HE21 4.45
&rst
ixpk= 0, nxpk= 0, iat= 127, 134, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95, &end
#
# 8 GLN HB3 8 GLN HE22 4.70
&rst
ixpk= 0, nxpk= 0, iat= 127, 135, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, &end
#
# 8 GLN HB3 9 PHE HN 4.64
&rst
ixpk= 0, nxpk= 0, iat= 127, 139, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14, &end
#
# 22 LYS QD 26 LYS HB2 4.26
&rst
ixpk= 0, nxpk= 0, iat= -1, 392, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28,
igr1= 325, 326,
&end
#
# 23 ARG HA 26 LYS HB2 3.38
&rst
ixpk= 0, nxpk= 0, iat= 339, 392, r1= 1.30, r2= 1.80, r3= 3.38, r4= 3.88, &end
#
# 40 LYS HA 40 LYS QG 3.80
&rst
ixpk= 0, nxpk= 0, iat= 592, -1, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,
igr2= 597, 598,
&end
#
# 35 HIS HN 40 LYS QG 5.50
&rst
ixpk= 0, nxpk= 0, iat= 520, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 597, 598,
&end
#
# 6 LYS HB3 6 LYS QD 3.06
&rst
ixpk= 0, nxpk= 0, iat= 91, -1, r1= 1.30, r2= 1.80, r3= 3.43, r4= 3.93,
igr2= 96, 97,
&end
#
# 6 LYS HG2 6 LYS QD 2.86
&rst
ixpk= 0, nxpk= 0, iat= 93, -1, r1= 1.30, r2= 1.80, r3= 3.21, r4= 3.71,
igr2= 96, 97,
&end
#
# 6 LYS HB2 6 LYS QD 3.06
&rst
ixpk= 0, nxpk= 0, iat= 90, -1, r1= 1.30, r2= 1.80, r3= 3.43, r4= 3.93,
igr2= 96, 97,
&end
#
# 6 LYS QD 6 LYS QE 3.01
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29,
igr1= 96, 97,
igr2= 99, 100,
&end
#
# 23 ARG HA 26 LYS HN 3.40
&rst
ixpk= 0, nxpk= 0, iat= 339, 388, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90, &end
#
# 26 LYS HN 32 GLY HA3 5.50
&rst
ixpk= 0, nxpk= 0, iat= 388, 487, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 26 LYS HN 27 ALA HN 2.98
&rst
ixpk= 0, nxpk= 0, iat= 388, 410, r1= 1.30, r2= 1.80, r3= 2.98, r4= 3.48, &end
#
# 26 LYS HN 26 LYS HB3 2.88
&rst
ixpk= 0, nxpk= 0, iat= 388, 393, r1= 1.30, r2= 1.80, r3= 2.88, r4= 3.38, &end
#
# 22 LYS HA 26 LYS HN 4.49
&rst
ixpk= 0, nxpk= 0, iat= 317, 388, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99, &end
#
# 26 LYS HN 27 ALA QB 4.47
&rst
ixpk= 0, nxpk= 0, iat= 388, -1, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,
igr2= 414, 415, 416,
&end
#
# 26 LYS HN 26 LYS HA 2.93
&rst
ixpk= 0, nxpk= 0, iat= 388, 390, r1= 1.30, r2= 1.80, r3= 2.93, r4= 3.43, &end
#
# 25 CYX HB3 26 LYS HN 3.99
&rst
ixpk= 0, nxpk= 0, iat= 383, 388, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49, &end
#
# 24 HIS HA 26 LYS HN 4.49
&rst
ixpk= 0, nxpk= 0, iat= 363, 388, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99, &end
#
# 24 HIS HN 26 LYS HN 4.16
&rst
ixpk= 0, nxpk= 0, iat= 361, 388, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66, &end
#
# 26 LYS HN 26 LYS HB2 2.83
&rst
ixpk= 0, nxpk= 0, iat= 388, 392, r1= 1.30, r2= 1.80, r3= 2.83, r4= 3.33, &end
#
# 25 CYX HB2 26 LYS HN 3.65
&rst
ixpk= 0, nxpk= 0, iat= 382, 388, r1= 1.30, r2= 1.80, r3= 3.65, r4= 4.15, &end
#
# 22 LYS QG 26 LYS HN 5.29
&rst
ixpk= 0, nxpk= 0, iat= -1, 388, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr1= 322, 323,
&end
#
# 25 CYX HN 26 LYS HN 3.00
&rst
ixpk= 0, nxpk= 0, iat= 378, 388, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 2 HIS HA 2 HIS HD2 5.13
&rst
ixpk= 0, nxpk= 0, iat= 22, 33, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63, &end
#
# 18 LYS HA 18 LYS QD 5.50
&rst
ixpk= 0, nxpk= 0, iat= 266, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 274, 275,
&end
#
# 18 LYS HA 20 ASP QB 5.50
&rst
ixpk= 0, nxpk= 0, iat= 266, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 297, 298,
&end
#
# 18 LYS HA 18 LYS HNZ 4.59
&rst
ixpk= 0, nxpk= 0, iat= 266, -1, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01,
igr2= 280, 281, 282,
&end
#
# 21 CYX HA 24 HIS QB 4.80
&rst
ixpk= 0, nxpk= 0, iat= 307, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr2= 365, 366,
&end
#
# 31 GLU HA 32 GLY HA3 4.68
&rst
ixpk= 0, nxpk= 0, iat= 471, 487, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18, &end
#
# 32 GLY HA3 33 ILE HA 5.06
&rst
ixpk= 0, nxpk= 0, iat= 487, 493, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56, &end
#
# 12 PHE HA 34 CYX QB 4.56
&rst
ixpk= 0, nxpk= 0, iat= 178, -1, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
igr2= 514, 515,
&end
#
# 31 GLU HA 45 ILE QG2 4.24
&rst
ixpk= 0, nxpk= 0, iat= 471, -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
igr2= 665, 666, 667,
&end
#
# 12 PHE HN 12 PHE HE 5.13
&rst
ixpk= 0, nxpk= 0, iat= 176, -1, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26,
igr2= 186, 190,
&end
#
# 38 LYS HN 38 LYS HG2 4.15
&rst
ixpk= 0, nxpk= 0, iat= 558, 565, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65, &end
#
# 37 THR HN 38 LYS HN 3.02
&rst
ixpk= 0, nxpk= 0, iat= 544, 558, r1= 1.30, r2= 1.80, r3= 3.02, r4= 3.52, &end
#
# 25 CYX HB2 32 GLY HA3 3.94
&rst
ixpk= 0, nxpk= 0, iat= 382, 487, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44, &end
#
# 25 CYX HB2 32 GLY HA2 4.22
&rst
ixpk= 0, nxpk= 0, iat= 382, 486, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72, &end
#
# 12 PHE HE 13 ALA QB 3.44
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,
igr1= 186, 190,
igr2= 200, 201, 202,
&end
#
# 12 PHE HE 37 THR QG2 4.75
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.40, r4= 6.90,
igr1= 186, 190,
igr2= 550, 551, 552,
&end
#
# 12 PHE HB3 12 PHE HE 4.89
&rst
ixpk= 0, nxpk= 0, iat= 181, -1, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99,
igr2= 186, 190,
&end
#
# 12 PHE HB2 12 PHE HE 4.69
&rst
ixpk= 0, nxpk= 0, iat= 180, -1, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76,
igr2= 186, 190,
&end
#
# 9 PHE HB3 10 GLY HN 4.64
&rst
ixpk= 0, nxpk= 0, iat= 144, 159, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14, &end
#
# 9 PHE HA 10 GLY HN 3.31
&rst
ixpk= 0, nxpk= 0, iat= 141, 159, r1= 1.30, r2= 1.80, r3= 3.31, r4= 3.81, &end
#
# 10 GLY HN 19 GLY HA3 5.18
&rst
ixpk= 0, nxpk= 0, iat= 159, 289, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68, &end
#
# 9 PHE HB2 10 GLY HN 4.26
&rst
ixpk= 0, nxpk= 0, iat= 143, 159, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76, &end
#
# 28 GLU HB2 29 ASP HN 4.28
&rst
ixpk= 0, nxpk= 0, iat= 424, 435, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78, &end
#
# 25 CYX HA 28 GLU HB2 4.57
&rst
ixpk= 0, nxpk= 0, iat= 380, 424, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07, &end
#
# 27 ALA HA 29 ASP HN 3.85
&rst
ixpk= 0, nxpk= 0, iat= 412, 435, r1= 1.30, r2= 1.80, r3= 3.85, r4= 4.35, &end
#
# 12 PHE HD 13 ALA QB 3.11
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69,
igr1= 184, 192,
igr2= 200, 201, 202,
&end
#
# 12 PHE HD 37 THR QG2 3.12
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71,
igr1= 184, 192,
igr2= 550, 551, 552,
&end
#
# 12 PHE HB3 12 PHE HD 3.28
&rst
ixpk= 0, nxpk= 0, iat= 181, -1, r1= 1.30, r2= 1.80, r3= 3.68, r4= 4.18,
igr2= 184, 192,
&end
#
# 12 PHE HB2 12 PHE HD 3.31
&rst
ixpk= 0, nxpk= 0, iat= 180, -1, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22,
igr2= 184, 192,
&end
#
# 47 TYR HA 47 TYR HE 5.14
&rst
ixpk= 0, nxpk= 0, iat= 691, -1, r1= 1.30, r2= 1.80, r3= 5.77, r4= 6.27,
igr2= 699, 704,
&end
#
# 47 TYR HN 47 TYR HE 5.04
&rst
ixpk= 0, nxpk= 0, iat= 689, -1, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
igr2= 699, 704,
&end
#
# 47 TYR HB3 47 TYR HE 4.85
&rst
ixpk= 0, nxpk= 0, iat= 694, -1, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94,
igr2= 699, 704,
&end
#
# 45 ILE HB 46 SER HN 4.27
&rst
ixpk= 0, nxpk= 0, iat= 663, 678, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77, &end
#
# 21 CYX HA 23 ARG HN 4.68
&rst
ixpk= 0, nxpk= 0, iat= 307, 337, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18, &end
#
# 25 CYX HN 32 GLY HA3 3.96
&rst
ixpk= 0, nxpk= 0, iat= 378, 487, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46, &end
#
# 24 HIS QB 25 CYX HN 3.52
&rst
ixpk= 0, nxpk= 0, iat= -1, 378, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45,
igr1= 365, 366,
&end
#
# 25 CYX HN 25 CYX HB3 3.72
&rst
ixpk= 0, nxpk= 0, iat= 378, 383, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22, &end
#
# 24 HIS HN 25 CYX HN 3.10
&rst
ixpk= 0, nxpk= 0, iat= 361, 378, r1= 1.30, r2= 1.80, r3= 3.10, r4= 3.60, &end
#
# 25 CYX HN 25 CYX HB2 3.26
&rst
ixpk= 0, nxpk= 0, iat= 378, 382, r1= 1.30, r2= 1.80, r3= 3.26, r4= 3.76, &end
#
# 9 PHE HE 24 HIS HD2 4.45
&rst
ixpk= 0, nxpk= 0, iat= -1, 374, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49,
igr1= 149, 153,
&end
#
# 24 HIS QB 24 HIS HD2 3.59
&rst
ixpk= 0, nxpk= 0, iat= -1, 374, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53,
igr1= 365, 366,
&end
#
# 24 HIS HN 24 HIS HD2 5.09
&rst
ixpk= 0, nxpk= 0, iat= 361, 374, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59, &end
#
# 24 HIS HD2 25 CYX HA 4.76
&rst
ixpk= 0, nxpk= 0, iat= 374, 380, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26, &end
#
# 24 HIS HD2 25 CYX HN 3.89
&rst
ixpk= 0, nxpk= 0, iat= 374, 378, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39, &end
#
# 38 LYS HB3 38 LYS QE 5.50
&rst
ixpk= 0, nxpk= 0, iat= 563, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 571, 572,
&end
#
# 38 LYS HA 38 LYS QE 4.50
&rst
ixpk= 0, nxpk= 0, iat= 560, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 571, 572,
&end
#
# 26 LYS HB2 26 LYS QE 5.50
&rst
ixpk= 0, nxpk= 0, iat= 392, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 401, 402,
&end
#
# 14 ASN HA 35 HIS HA 4.21
&rst
ixpk= 0, nxpk= 0, iat= 208, 522, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71, &end
#
# 13 ALA HN 14 ASN HA 5.10
&rst
ixpk= 0, nxpk= 0, iat= 196, 208, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60, &end
#
# 14 ASN HA 34 CYX QB 3.82
&rst
ixpk= 0, nxpk= 0, iat= 208, -1, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79,
igr2= 514, 515,
&end
#
# 14 ASN HA 14 ASN HD21 4.55
&rst
ixpk= 0, nxpk= 0, iat= 208, 215, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05, &end
#
# 46 SER HN 46 SER HB2 3.43
&rst
ixpk= 0, nxpk= 0, iat= 678, 682, r1= 1.30, r2= 1.80, r3= 3.43, r4= 3.93, &end
#
# 46 SER HB2 47 TYR HN 4.48
&rst
ixpk= 0, nxpk= 0, iat= 682, 689, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98, &end
#
# 2 HIS HA 3 LYS QB 5.02
&rst
ixpk= 0, nxpk= 0, iat= 22, -1, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13,
igr2= 41, 42,
&end
#
# 3 LYS QB 3 LYS HG3 2.88
&rst
ixpk= 0, nxpk= 0, iat= -1, 45, r1= 1.30, r2= 1.80, r3= 3.23, r4= 3.73,
igr1= 41, 42,
&end
#
# 12 PHE HN 15 VAL HN 3.56
&rst
ixpk= 0, nxpk= 0, iat= 176, 220, r1= 1.30, r2= 1.80, r3= 3.56, r4= 4.06, &end
#
# 12 PHE HN 15 VAL HB 4.26
&rst
ixpk= 0, nxpk= 0, iat= 176, 224, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76, &end
#
# 40 LYS QG 41 CYX HN 3.95
&rst
ixpk= 0, nxpk= 0, iat= -1, 612, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93,
igr1= 597, 598,
&end
#
# 11 CYX HA 12 PHE HN 2.83
&rst
ixpk= 0, nxpk= 0, iat= 168, 176, r1= 1.30, r2= 1.80, r3= 2.83, r4= 3.33, &end
#
# 31 GLU HN 42 GLY HN 3.71
&rst
ixpk= 0, nxpk= 0, iat= 469, 622, r1= 1.30, r2= 1.80, r3= 3.71, r4= 4.21, &end
#
# 32 GLY HA3 42 GLY HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= 487, 622, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 30 LYS QB 42 GLY HN 4.22
&rst
ixpk= 0, nxpk= 0, iat= -1, 622, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,
igr1= 451, 452,
&end
#
# 41 CYX HA 42 GLY HN 2.72
&rst
ixpk= 0, nxpk= 0, iat= 614, 622, r1= 1.30, r2= 1.80, r3= 2.72, r4= 3.22, &end
#
# 32 GLY HA2 42 GLY HN 4.29
&rst
ixpk= 0, nxpk= 0, iat= 486, 622, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79, &end
#
# 30 LYS QD 42 GLY HN 4.54
&rst
ixpk= 0, nxpk= 0, iat= -1, 622, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
igr1= 457, 458,
&end
#
# 41 CYX HB2 42 GLY HN 3.93
&rst
ixpk= 0, nxpk= 0, iat= 616, 622, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, &end
#
# 31 GLU HB3 42 GLY HN 4.47
&rst
ixpk= 0, nxpk= 0, iat= 474, 622, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97, &end
#
# 11 CYX HA 16 ASP HA 5.43
&rst
ixpk= 0, nxpk= 0, iat= 168, 238, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93, &end
#
# 1 VAL HB 2 HIS HN 4.46
&rst
ixpk= 0, nxpk= 0, iat= 8, 20, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96, &end
#
# 17 VAL QG1 18 LYS HN 4.80
&rst
ixpk= 0, nxpk= 0, iat= -1, 264, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26,
igr1= 254, 255, 256,
&end
#
# 1 VAL HA 2 HIS HN 3.22
&rst
ixpk= 0, nxpk= 0, iat= 6, 20, r1= 1.30, r2= 1.80, r3= 3.22, r4= 3.72, &end
#
# 4 MET HA 6 LYS HN 4.23
&rst
ixpk= 0, nxpk= 0, iat= 61, 86, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73, &end
#
# 6 LYS HN 6 LYS HG2 4.62
&rst
ixpk= 0, nxpk= 0, iat= 86, 93, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12, &end
#
# 6 LYS HN 6 LYS HB2 3.78
&rst
ixpk= 0, nxpk= 0, iat= 86, 90, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28, &end
#
# 5 ALA QB 6 LYS HN 3.88
&rst
ixpk= 0, nxpk= 0, iat= -1, 86, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,
igr1= 80, 81, 82,
&end
#
# 6 LYS HN 6 LYS HG3 4.62
&rst
ixpk= 0, nxpk= 0, iat= 86, 94, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12, &end
#
# 4 MET HN 6 LYS HN 2.49
&rst
ixpk= 0, nxpk= 0, iat= 59, 86, r1= 1.30, r2= 1.80, r3= 2.49, r4= 2.99, &end
#
# 6 LYS HN 6 LYS QD 4.79
&rst
ixpk= 0, nxpk= 0, iat= 86, -1, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88,
igr2= 96, 97,
&end
#
# 31 GLU HB2 43 VAL HN 4.22
&rst
ixpk= 0, nxpk= 0, iat= 473, 629, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72, &end
#
# 5 ALA HN 5 ALA HA 2.40
&rst
ixpk= 0, nxpk= 0, iat= 76, 78, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90, &end
#
# 30 LYS HN 31 GLU HN 4.63
&rst
ixpk= 0, nxpk= 0, iat= 447, 469, r1= 1.30, r2= 1.80, r3= 4.63, r4= 5.13, &end
#
# 31 GLU HN 44 PRO HA 4.13
&rst
ixpk= 0, nxpk= 0, iat= 469, 655, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63, &end
#
# 31 GLU HN 31 GLU HG2 3.72
&rst
ixpk= 0, nxpk= 0, iat= 469, 476, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22, &end
#
# 31 GLU HN 44 PRO HD3 5.50
&rst
ixpk= 0, nxpk= 0, iat= 469, 647, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 31 GLU HN 45 ILE QG2 4.29
&rst
ixpk= 0, nxpk= 0, iat= 469, -1, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,
igr2= 665, 666, 667,
&end
#
# 18 LYS HN 18 LYS QD 4.00
&rst
ixpk= 0, nxpk= 0, iat= 264, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2= 274, 275,
&end
#
# 45 ILE HG12 46 SER HN 4.08
&rst
ixpk= 0, nxpk= 0, iat= 669, 678, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58, &end
#
# 45 ILE HA 46 SER HN 3.57
&rst
ixpk= 0, nxpk= 0, iat= 661, 678, r1= 1.30, r2= 1.80, r3= 3.57, r4= 4.07, &end
#
# 45 ILE QG2 46 SER HN 4.08
&rst
ixpk= 0, nxpk= 0, iat= -1, 678, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,
igr1= 665, 666, 667,
&end
#
# 16 ASP HN 16 ASP HB2 3.62
&rst
ixpk= 0, nxpk= 0, iat= 236, 240, r1= 1.30, r2= 1.80, r3= 3.62, r4= 4.12, &end
#
# 16 ASP HN 16 ASP HB3 3.62
&rst
ixpk= 0, nxpk= 0, iat= 236, 241, r1= 1.30, r2= 1.80, r3= 3.62, r4= 4.12, &end
#
# 31 GLU HB2 32 GLY HN 3.86
&rst
ixpk= 0, nxpk= 0, iat= 473, 484, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36, &end
#
# 30 LYS HN 30 LYS QG 3.73
&rst
ixpk= 0, nxpk= 0, iat= 447, -1, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69,
igr2= 454, 455,
&end
#
# 30 LYS HN 30 LYS HNZ 4.23
&rst
ixpk= 0, nxpk= 0, iat= 447, -1, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,
igr2= 463, 464, 465,
&end
#
# 30 LYS HN 30 LYS QE 5.50
&rst
ixpk= 0, nxpk= 0, iat= 447, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 460, 461,
&end
#
# 27 ALA QB 30 LYS HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 447, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 414, 415, 416,
&end
#
# 11 CYX HN 12 PHE HB3 4.80
&rst
ixpk= 0, nxpk= 0, iat= 166, 181, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, &end
#
# 8 GLN HA 11 CYX HN 5.39
&rst
ixpk= 0, nxpk= 0, iat= 124, 166, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89, &end
#
# 8 GLN HG3 11 CYX HN 3.88
&rst
ixpk= 0, nxpk= 0, iat= 130, 166, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38, &end
#
# 28 GLU HB3 29 ASP HN 4.49
&rst
ixpk= 0, nxpk= 0, iat= 425, 435, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99, &end
#
# 29 ASP HN 29 ASP HB2 4.08
&rst
ixpk= 0, nxpk= 0, iat= 435, 439, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58, &end
#
# 15 VAL HN 15 VAL HB 3.11
&rst
ixpk= 0, nxpk= 0, iat= 220, 224, r1= 1.30, r2= 1.80, r3= 3.11, r4= 3.61, &end
#
# 45 ILE HA 47 TYR HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= 661, 689, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 22 LYS HN 22 LYS QE 4.73
&rst
ixpk= 0, nxpk= 0, iat= 315, -1, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,
igr2= 328, 329,
&end
#
# 22 LYS HN 22 LYS HNZ 5.50
&rst
ixpk= 0, nxpk= 0, iat= 315, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 331, 332, 333,
&end
#
# 8 GLN HB2 39 CYX HN 4.46
&rst
ixpk= 0, nxpk= 0, iat= 126, 580, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96, &end
#
# 38 LYS HB2 39 CYX HN 4.46
&rst
ixpk= 0, nxpk= 0, iat= 562, 580, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96, &end
#
# 40 LYS HN 40 LYS QE 5.42
&rst
ixpk= 0, nxpk= 0, iat= 590, -1, r1= 1.30, r2= 1.80, r3= 6.08, r4= 6.58,
igr2= 603, 604,
&end
#
# 40 LYS HN 40 LYS QG 4.20
&rst
ixpk= 0, nxpk= 0, iat= 590, -1, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
igr2= 597, 598,
&end
#
# 33 ILE HN 33 ILE HG12 4.26
&rst
ixpk= 0, nxpk= 0, iat= 491, 501, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76, &end
#
# 31 GLU HB2 33 ILE HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= 473, 491, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 31 GLU HB3 33 ILE HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= 474, 491, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 21 CYX HB2 34 CYX HN 4.73
&rst
ixpk= 0, nxpk= 0, iat= 309, 510, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23, &end
#
# 45 ILE HN 45 ILE HG13 3.49
&rst
ixpk= 0, nxpk= 0, iat= 659, 670, r1= 1.30, r2= 1.80, r3= 3.49, r4= 3.99, &end
#
# 45 ILE HN 45 ILE QD1 4.04
&rst
ixpk= 0, nxpk= 0, iat= 659, -1, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
igr2= 672, 673, 674,
&end
#
# 7 ASN HN 7 ASN HD21 5.06
&rst
ixpk= 0, nxpk= 0, iat= 108, 117, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56, &end
#
# 5 ALA HA 7 ASN HN 3.62
&rst
ixpk= 0, nxpk= 0, iat= 78, 108, r1= 1.30, r2= 1.80, r3= 3.62, r4= 4.12, &end
#
# 37 THR HN 37 THR HB 3.66
&rst
ixpk= 0, nxpk= 0, iat= 544, 548, r1= 1.30, r2= 1.80, r3= 3.66, r4= 4.16, &end
#
# 5 ALA HA 8 GLN HE22 5.50
&rst
ixpk= 0, nxpk= 0, iat= 78, 135, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 8 GLN HA 8 GLN HE22 5.50
&rst
ixpk= 0, nxpk= 0, iat= 124, 135, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 8 GLN HA 9 PHE HN 3.02
&rst
ixpk= 0, nxpk= 0, iat= 124, 139, r1= 1.30, r2= 1.80, r3= 3.02, r4= 3.52, &end
#
# 9 PHE HN 9 PHE HB3 3.98
&rst
ixpk= 0, nxpk= 0, iat= 139, 144, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48, &end
#
# 6 LYS HN 8 GLN HN 3.86
&rst
ixpk= 0, nxpk= 0, iat= 86, 122, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36, &end
#
# 8 GLN HN 8 GLN HG3 4.06
&rst
ixpk= 0, nxpk= 0, iat= 122, 130, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56, &end
#
# 8 GLN HN 8 GLN HB3 3.32
&rst
ixpk= 0, nxpk= 0, iat= 122, 127, r1= 1.30, r2= 1.80, r3= 3.32, r4= 3.82, &end
#
# 24 HIS HN 24 HIS QB 3.06
&rst
ixpk= 0, nxpk= 0, iat= 361, -1, r1= 1.30, r2= 1.80, r3= 3.43, r4= 3.93,
igr2= 365, 366,
&end
#
# 28 GLU HN 28 GLU HG2 3.27
&rst
ixpk= 0, nxpk= 0, iat= 420, 427, r1= 1.30, r2= 1.80, r3= 3.27, r4= 3.77, &end
#
# 14 ASN HN 14 ASN HB3 4.04
&rst
ixpk= 0, nxpk= 0, iat= 206, 211, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54, &end
#
# 14 ASN HN 14 ASN HD22 5.50
&rst
ixpk= 0, nxpk= 0, iat= 206, 216, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 26 LYS HN 26 LYS QE 4.95
&rst
ixpk= 0, nxpk= 0, iat= 388, -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
igr2= 401, 402,
&end
#
# 26 LYS HN 45 ILE QG2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 388, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 665, 666, 667,
&end
#
# 38 LYS HN 38 LYS HG3 4.15
&rst
ixpk= 0, nxpk= 0, iat= 558, 566, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65, &end
#
# 38 LYS HN 38 LYS HB2 3.20
&rst
ixpk= 0, nxpk= 0, iat= 558, 562, r1= 1.30, r2= 1.80, r3= 3.20, r4= 3.70, &end
#
# 38 LYS HN 38 LYS QE 5.09
&rst
ixpk= 0, nxpk= 0, iat= 558, -1, r1= 1.30, r2= 1.80, r3= 5.71, r4= 6.21,
igr2= 571, 572,
&end
#
# 7 ASN HA 10 GLY HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= 110, 159, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 7 ASN HN 10 GLY HN 4.03
&rst
ixpk= 0, nxpk= 0, iat= 108, 159, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53, &end
#
# 9 PHE HN 10 GLY HN 2.85
&rst
ixpk= 0, nxpk= 0, iat= 139, 159, r1= 1.30, r2= 1.80, r3= 2.85, r4= 3.35, &end
#
# 8 GLN HN 10 GLY HN 3.27
&rst
ixpk= 0, nxpk= 0, iat= 122, 159, r1= 1.30, r2= 1.80, r3= 3.27, r4= 3.77, &end
#
# 21 CYX HA 25 CYX HN 4.40
&rst
ixpk= 0, nxpk= 0, iat= 307, 378, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90, &end
#
# 14 ASN HN 14 ASN HD21 5.50
&rst
ixpk= 0, nxpk= 0, iat= 206, 215, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 12 PHE HN 12 PHE HB3 3.97
&rst
ixpk= 0, nxpk= 0, iat= 176, 181, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47, &end
#
# 12 PHE HN 12 PHE HB2 4.08
&rst
ixpk= 0, nxpk= 0, iat= 176, 180, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58, &end
#
# 12 PHE HN 12 PHE HD 2.98
&rst
ixpk= 0, nxpk= 0, iat= 176, -1, r1= 1.30, r2= 1.80, r3= 3.34, r4= 3.84,
igr2= 184, 192,
&end
#
# 41 CYX HB3 42 GLY HN 3.69
&rst
ixpk= 0, nxpk= 0, iat= 617, 622, r1= 1.30, r2= 1.80, r3= 3.69, r4= 4.19, &end
#
# 31 GLU HB2 42 GLY HN 4.47
&rst
ixpk= 0, nxpk= 0, iat= 473, 622, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97, &end
#
# 2 HIS HN 2 HIS HD2 4.22
&rst
ixpk= 0, nxpk= 0, iat= 20, 33, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72, &end
#
# 3 LYS HN 3 LYS QG 4.29
&rst
ixpk= 0, nxpk= 0, iat= 37, -1, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32,
igr2= 44, 45,
&end
#
# 3 LYS HA 3 LYS QG 3.43
&rst
ixpk= 0, nxpk= 0, iat= 39, -1, r1= 1.30, r2= 1.80, r3= 3.85, r4= 4.35,
igr2= 44, 45,
&end
#
# 3 LYS QB 7 ASN QD2 4.92
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70,
igr1= 41, 42,
igr2= 117, 118,
&end
#
# 3 LYS QG 3 LYS QE 3.53
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95,
igr1= 44, 45,
igr2= 50, 51,
&end
#
# 4 MET HN 4 MET QG 3.11
&rst
ixpk= 0, nxpk= 0, iat= 59, -1, r1= 1.30, r2= 1.80, r3= 3.49, r4= 3.99,
igr2= 66, 67,
&end
#
# 4 MET HA 4 MET QG 3.45
&rst
ixpk= 0, nxpk= 0, iat= 61, -1, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37,
igr2= 66, 67,
&end
#
# 4 MET QB 4 MET QG 2.34
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 2.95, r4= 3.45,
igr1= 63, 64,
igr2= 66, 67,
&end
#
# 4 MET QG 6 LYS QB 5.18
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.53, r4= 7.03,
igr1= 66, 67,
igr2= 90, 91,
&end
#
# 5 ALA HA 8 GLN QG 3.47
&rst
ixpk= 0, nxpk= 0, iat= 78, -1, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39,
igr2= 129, 130,
&end
#
# 6 LYS HN 6 LYS QB 3.07
&rst
ixpk= 0, nxpk= 0, iat= 86, -1, r1= 1.30, r2= 1.80, r3= 3.45, r4= 3.95,
igr2= 90, 91,
&end
#
# 6 LYS HN 6 LYS QG 3.92
&rst
ixpk= 0, nxpk= 0, iat= 86, -1, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,
igr2= 93, 94,
&end
#
# 6 LYS HN 7 ASN QD2 5.34
&rst
ixpk= 0, nxpk= 0, iat= 86, -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr2= 117, 118,
&end
#
# 6 LYS HA 6 LYS QG 3.72
&rst
ixpk= 0, nxpk= 0, iat= 88, -1, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68,
igr2= 93, 94,
&end
#
# 6 LYS QB 6 LYS QG 2.34
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 2.95, r4= 3.45,
igr1= 90, 91,
igr2= 93, 94,
&end
#
# 6 LYS QB 6 LYS QD 2.32
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42,
igr1= 90, 91,
igr2= 96, 97,
&end
#
# 6 LYS QB 6 LYS QE 4.62
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.82, r4= 6.32,
igr1= 90, 91,
igr2= 99, 100,
&end
#
# 6 LYS QB 6 LYS HNZ 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 90, 91,
igr2= 102, 103, 104,
&end
#
# 6 LYS QB 7 ASN HN 4.14
&rst
ixpk= 0, nxpk= 0, iat= -1, 108, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,
igr1= 90, 91,
&end
#
# 6 LYS QG 6 LYS QD 2.42
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.05, r4= 3.55,
igr1= 93, 94,
igr2= 96, 97,
&end
#
# 6 LYS QG 6 LYS QE 3.58
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01,
igr1= 93, 94,
igr2= 99, 100,
&end
#
# 6 LYS QG 6 LYS HNZ 4.14
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08,
igr1= 93, 94,
igr2= 102, 103, 104,
&end
#
# 7 ASN HN 7 ASN QD2 4.34
&rst
ixpk= 0, nxpk= 0, iat= 108, -1, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37,
igr2= 117, 118,
&end
#
# 7 ASN HA 7 ASN QD2 3.33
&rst
ixpk= 0, nxpk= 0, iat= 110, -1, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24,
igr2= 117, 118,
&end
#
# 7 ASN QB 7 ASN QD2 2.90
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.65, r4= 4.15,
igr1= 112, 113,
igr2= 117, 118,
&end
#
# 8 GLN HN 8 GLN QG 3.52
&rst
ixpk= 0, nxpk= 0, iat= 122, -1, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45,
igr2= 129, 130,
&end
#
# 8 GLN QG 9 PHE HD 5.01
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.31, r4= 6.81,
igr1= 129, 130,
igr2= 147, 155,
&end
#
# 8 GLN QG 10 GLY HN 3.89
&rst
ixpk= 0, nxpk= 0, iat= -1, 159, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87,
igr1= 129, 130,
&end
#
# 8 GLN QG 10 GLY QA 4.04
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
igr1= 129, 130,
igr2= 161, 162,
&end
#
# 9 PHE HE 39 CYX QB 3.69
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,
igr1= 149, 153,
igr2= 584, 585,
&end
#
# 9 PHE HD 39 CYX QB 3.07
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37,
igr1= 147, 155,
igr2= 584, 585,
&end
#
# 10 GLY HN 11 CYX QB 5.34
&rst
ixpk= 0, nxpk= 0, iat= 159, -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr2= 170, 171,
&end
#
# 11 CYX HN 11 CYX QB 3.18
&rst
ixpk= 0, nxpk= 0, iat= 166, -1, r1= 1.30, r2= 1.80, r3= 3.57, r4= 4.07,
igr2= 170, 171,
&end
#
# 11 CYX HA 17 VAL QQG 3.92
&rst
ixpk= 0, nxpk= 0, iat= 168, 251, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42, &end
#
# 11 CYX QB 12 PHE HN 3.72
&rst
ixpk= 0, nxpk= 0, iat= -1, 176, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68,
igr1= 170, 171,
&end
#
# 11 CYX QB 17 VAL QQG 4.04
&rst
ixpk= 0, nxpk= 0, iat= -1, 251, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
igr1= 170, 171,
&end
#
# 11 CYX QB 34 CYX QB 3.18
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51,
igr1= 170, 171,
igr2= 514, 515,
&end
#
# 12 PHE HN 17 VAL QQG 3.63
&rst
ixpk= 0, nxpk= 0, iat= 176, 251, r1= 1.30, r2= 1.80, r3= 3.63, r4= 4.13, &end
#
# 13 ALA HN 36 GLY QA 4.19
&rst
ixpk= 0, nxpk= 0, iat= 196, -1, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,
igr2= 539, 540,
&end
#
# 14 ASN HN 36 GLY QA 3.44
&rst
ixpk= 0, nxpk= 0, iat= 206, -1, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36,
igr2= 539, 540,
&end
#
# 14 ASN QB 14 ASN HD21 2.92
&rst
ixpk= 0, nxpk= 0, iat= -1, 215, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78,
igr1= 210, 211,
&end
#
# 14 ASN QB 14 ASN HD22 3.52
&rst
ixpk= 0, nxpk= 0, iat= -1, 216, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45,
igr1= 210, 211,
&end
#
# 15 VAL HB 17 VAL QQG 3.48
&rst
ixpk= 0, nxpk= 0, iat= 224, 251, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98, &end
#
# 16 ASP HN 16 ASP QB 2.92
&rst
ixpk= 0, nxpk= 0, iat= 236, -1, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78,
igr2= 240, 241,
&end
#
# 16 ASP HN 17 VAL QQG 4.54
&rst
ixpk= 0, nxpk= 0, iat= 236, 251, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04, &end
#
# 16 ASP HA 17 VAL QQG 4.06
&rst
ixpk= 0, nxpk= 0, iat= 238, 251, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56, &end
#
# 17 VAL HN 17 VAL QQG 3.21
&rst
ixpk= 0, nxpk= 0, iat= 248, 251, r1= 1.30, r2= 1.80, r3= 3.21, r4= 3.71, &end
#
# 17 VAL QQG 18 LYS HN 4.11
&rst
ixpk= 0, nxpk= 0, iat= 251, 264, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61, &end
#
# 18 LYS HN 18 LYS QG 3.55
&rst
ixpk= 0, nxpk= 0, iat= 264, -1, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48,
igr2= 271, 272,
&end
#
# 18 LYS QG 18 LYS HNZ 4.20
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
igr1= 271, 272,
igr2= 280, 281, 282,
&end
#
# 20 ASP QB 22 LYS QB 5.03
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.34, r4= 6.84,
igr1= 297, 298,
igr2= 319, 320,
&end
#
# 22 LYS HN 22 LYS QB 2.90
&rst
ixpk= 0, nxpk= 0, iat= 315, -1, r1= 1.30, r2= 1.80, r3= 3.26, r4= 3.76,
igr2= 319, 320,
&end
#
# 22 LYS QB 22 LYS QD 3.10
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41,
igr1= 319, 320,
igr2= 325, 326,
&end
#
# 22 LYS QB 22 LYS QE 3.66
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,
igr1= 319, 320,
igr2= 328, 329,
&end
#
# 22 LYS QB 22 LYS HNZ 4.71
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.35, r4= 6.85,
igr1= 319, 320,
igr2= 331, 332, 333,
&end
#
# 22 LYS QB 23 ARG HN 3.88
&rst
ixpk= 0, nxpk= 0, iat= -1, 337, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86,
igr1= 319, 320,
&end
#
# 23 ARG HN 23 ARG QD 4.10
&rst
ixpk= 0, nxpk= 0, iat= 337, -1, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
igr2= 347, 348,
&end
#
# 26 LYS HN 26 LYS QG 4.34
&rst
ixpk= 0, nxpk= 0, iat= 388, -1, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37,
igr2= 395, 396,
&end
#
# 26 LYS HN 26 LYS QD 4.72
&rst
ixpk= 0, nxpk= 0, iat= 388, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr2= 398, 399,
&end
#
# 26 LYS HA 26 LYS QG 3.41
&rst
ixpk= 0, nxpk= 0, iat= 390, -1, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33,
igr2= 395, 396,
&end
#
# 26 LYS HA 26 LYS QD 4.32
&rst
ixpk= 0, nxpk= 0, iat= 390, -1, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
igr2= 398, 399,
&end
#
# 29 ASP HN 29 ASP QB 3.57
&rst
ixpk= 0, nxpk= 0, iat= 435, -1, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51,
igr2= 439, 440,
&end
#
# 30 LYS QD 31 GLU QG 5.34
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 457, 458,
igr2= 476, 477,
&end
#
# 31 GLU HN 31 GLU QB 3.16
&rst
ixpk= 0, nxpk= 0, iat= 469, -1, r1= 1.30, r2= 1.80, r3= 3.55, r4= 4.05,
igr2= 473, 474,
&end
#
# 31 GLU QB 32 GLY HN 3.37
&rst
ixpk= 0, nxpk= 0, iat= -1, 484, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1= 473, 474,
&end
#
# 31 GLU QB 42 GLY HN 3.85
&rst
ixpk= 0, nxpk= 0, iat= -1, 622, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82,
igr1= 473, 474,
&end
#
# 31 GLU QG 32 GLY HN 4.65
&rst
ixpk= 0, nxpk= 0, iat= -1, 484, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
igr1= 476, 477,
&end
#
# 31 GLU QG 42 GLY HN 4.74
&rst
ixpk= 0, nxpk= 0, iat= -1, 622, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82,
igr1= 476, 477,
&end
#
# 35 HIS HN 35 HIS QB 3.40
&rst
ixpk= 0, nxpk= 0, iat= 520, -1, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32,
igr2= 524, 525,
&end
#
# 35 HIS HA 36 GLY QA 4.57
&rst
ixpk= 0, nxpk= 0, iat= 522, -1, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63,
igr2= 539, 540,
&end
#
# 35 HIS QB 35 HIS HD2 3.40
&rst
ixpk= 0, nxpk= 0, iat= -1, 533, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32,
igr1= 524, 525,
&end
#
# 35 HIS HD2 40 LYS QB 2.93
&rst
ixpk= 0, nxpk= 0, iat= 533, -1, r1= 1.30, r2= 1.80, r3= 3.29, r4= 3.79,
igr2= 594, 595,
&end
#
# 36 GLY QA 37 THR HN 2.85
&rst
ixpk= 0, nxpk= 0, iat= -1, 544, r1= 1.30, r2= 1.80, r3= 3.20, r4= 3.70,
igr1= 539, 540,
&end
#
# 36 GLY QA 38 LYS HN 4.66
&rst
ixpk= 0, nxpk= 0, iat= -1, 558, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73,
igr1= 539, 540,
&end
#
# 38 LYS HN 38 LYS QD 3.72
&rst
ixpk= 0, nxpk= 0, iat= 558, -1, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68,
igr2= 568, 569,
&end
#
# 38 LYS HA 38 LYS QD 3.42
&rst
ixpk= 0, nxpk= 0, iat= 560, -1, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34,
igr2= 568, 569,
&end
#
# 38 LYS HB3 38 LYS QD 2.95
&rst
ixpk= 0, nxpk= 0, iat= 563, -1, r1= 1.30, r2= 1.80, r3= 3.31, r4= 3.81,
igr2= 568, 569,
&end
#
# 38 LYS QG 38 LYS QD 2.31
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 2.91, r4= 3.41,
igr1= 565, 566,
igr2= 568, 569,
&end
#
# 38 LYS QG 38 LYS QE 3.44
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,
igr1= 565, 566,
igr2= 571, 572,
&end
#
# 38 LYS QD 39 CYX HN 4.10
&rst
ixpk= 0, nxpk= 0, iat= -1, 580, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
igr1= 568, 569,
&end
#
# 39 CYX HN 39 CYX QB 2.97
&rst
ixpk= 0, nxpk= 0, iat= 580, -1, r1= 1.30, r2= 1.80, r3= 3.33, r4= 3.83,
igr2= 584, 585,
&end
#
# 39 CYX QB 40 LYS HN 3.99
&rst
ixpk= 0, nxpk= 0, iat= -1, 590, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98,
igr1= 584, 585,
&end
#
# 40 LYS HN 40 LYS QB 3.22
&rst
ixpk= 0, nxpk= 0, iat= 590, -1, r1= 1.30, r2= 1.80, r3= 3.61, r4= 4.11,
igr2= 594, 595,
&end
#
# 40 LYS QB 40 LYS QE 4.49
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
igr1= 594, 595,
igr2= 603, 604,
&end
#
# 40 LYS QB 41 CYX HN 3.95
&rst
ixpk= 0, nxpk= 0, iat= -1, 612, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93,
igr1= 594, 595,
&end
#
# 44 PRO QB 45 ILE HN 3.60
&rst
ixpk= 0, nxpk= 0, iat= -1, 659, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1= 652, 653,
&end
#
# 46 SER HN 46 SER QB 2.95
&rst
ixpk= 0, nxpk= 0, iat= 678, -1, r1= 1.30, r2= 1.80, r3= 3.31, r4= 3.81,
igr2= 682, 683,
&end
Contact the webmaster for help, if required. Thursday, May 2, 2024 12:11:19 PM GMT (wattos1)