NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type | subtype | subsubtype |
|
|
635696 |
6g99   |
34258 | cing | 1-original | 2 | AMBER | distance | NOE | simple |
# Restraints file 2: ac.rst
#
# 15 CYM H 22 ASN HB3 4.68
&rst
ixpk= 0, nxpk= 0, iat= 202, 298, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,
rk2=20, rk3=20, ir6=1, ialtd=0,
&end
#
# 13 TRP HE3 15 CYM H 4.93
&rst
ixpk= 0, nxpk= 0, iat= 175, 202, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43, &end
#
# 15 CYM H 24 ASN HD22 4.15
&rst
ixpk= 0, nxpk= 0, iat= 202, 333, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65, &end
#
# 14 LYS HA 15 CYM H 2.63
&rst
ixpk= 0, nxpk= 0, iat= 182, 202, r1= 1.30, r2= 1.80, r3= 2.63, r4= 3.13, &end
#
# 15 CYM H 24 ASN HD21 3.88
&rst
ixpk= 0, nxpk= 0, iat= 202, 334, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38, &end
#
# 15 CYM H 21 GLU HA 4.26
&rst
ixpk= 0, nxpk= 0, iat= 202, 280, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76, &end
#
# 15 CYM H 16 PRO HD3 5.37
&rst
ixpk= 0, nxpk= 0, iat= 202, 214, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87, &end
#
# 15 CYM H 15 CYM HB3 2.81
&rst
ixpk= 0, nxpk= 0, iat= 202, 206, r1= 1.30, r2= 1.80, r3= 2.81, r4= 3.31, &end
#
# 14 LYS HB3 15 CYM H 4.60
&rst
ixpk= 0, nxpk= 0, iat= 185, 202, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, &end
#
# 14 LYS HB2 15 CYM H 4.26
&rst
ixpk= 0, nxpk= 0, iat= 184, 202, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76, &end
#
# 14 LYS HG2 15 CYM H 3.72
&rst
ixpk= 0, nxpk= 0, iat= 187, 202, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22, &end
#
# 14 LYS HG3 15 CYM H 3.72
&rst
ixpk= 0, nxpk= 0, iat= 188, 202, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22, &end
#
# 27 TRP HB3 27 TRP HE1 5.13
&rst
ixpk= 0, nxpk= 0, iat= 374, 379, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63, &end
#
# 25 PHE QE 27 TRP HE1 4.94
&rst
ixpk= 0, nxpk= 0, iat= -1, 379, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,
igr1= 348, 352,
&end
#
# 25 PHE QD 27 TRP HE1 3.71
&rst
ixpk= 0, nxpk= 0, iat= -1, 379, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66,
igr1= 346, 354,
&end
#
# 25 PHE HB2 27 TRP HE1 4.57
&rst
ixpk= 0, nxpk= 0, iat= 342, 379, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07, &end
#
# 25 PHE HB3 27 TRP HE1 4.57
&rst
ixpk= 0, nxpk= 0, iat= 343, 379, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07, &end
#
# 13 TRP HE1 29 ASN HA 4.60
&rst
ixpk= 0, nxpk= 0, iat= 166, 419, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, &end
#
# 13 TRP HE1 26 SER HA 4.09
&rst
ixpk= 0, nxpk= 0, iat= 166, 360, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59, &end
#
# 13 TRP HB3 13 TRP HE1 5.08
&rst
ixpk= 0, nxpk= 0, iat= 161, 166, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58, &end
#
# 13 TRP HE1 38 LYS QE 3.91
&rst
ixpk= 0, nxpk= 0, iat= 166, -1, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89,
igr2= 556, 557,
&end
#
# 13 TRP HE1 28 ARG HB3 3.83
&rst
ixpk= 0, nxpk= 0, iat= 166, 398, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33, &end
#
# 13 TRP HE1 28 ARG HB2 3.18
&rst
ixpk= 0, nxpk= 0, iat= 166, 397, r1= 1.30, r2= 1.80, r3= 3.18, r4= 3.68, &end
#
# 13 TRP HE1 24 ASN HB3 3.89
&rst
ixpk= 0, nxpk= 0, iat= 166, 329, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39, &end
#
# 13 TRP HE1 38 LYS HB2 4.02
&rst
ixpk= 0, nxpk= 0, iat= 166, 547, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52, &end
#
# 13 TRP HE1 38 LYS HG3 5.15
&rst
ixpk= 0, nxpk= 0, iat= 166, 551, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65, &end
#
# 13 TRP HE1 38 LYS HB3 4.85
&rst
ixpk= 0, nxpk= 0, iat= 166, 548, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35, &end
#
# 13 TRP HE1 24 ASN HB2 4.16
&rst
ixpk= 0, nxpk= 0, iat= 166, 328, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66, &end
#
# 31 CYM H 36 ALA H 3.65
&rst
ixpk= 0, nxpk= 0, iat= 446, 519, r1= 1.30, r2= 1.80, r3= 3.65, r4= 4.15, &end
#
# 35 LYS H 36 ALA H 3.14
&rst
ixpk= 0, nxpk= 0, iat= 497, 519, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64, &end
#
# 34 CYM HA 36 ALA H 4.88
&rst
ixpk= 0, nxpk= 0, iat= 489, 519, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38, &end
#
# 35 LYS HA 36 ALA H 3.35
&rst
ixpk= 0, nxpk= 0, iat= 499, 519, r1= 1.30, r2= 1.80, r3= 3.35, r4= 3.85, &end
#
# 17 ASN HB2 36 ALA H 5.46
&rst
ixpk= 0, nxpk= 0, iat= 230, 519, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96, &end
#
# 36 ALA H 37 PRO HD3 5.50
&rst
ixpk= 0, nxpk= 0, iat= 519, 531, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 31 CYM HB3 36 ALA H 2.67
&rst
ixpk= 0, nxpk= 0, iat= 450, 519, r1= 1.30, r2= 1.80, r3= 2.67, r4= 3.17, &end
#
# 31 CYM HB2 36 ALA H 3.13
&rst
ixpk= 0, nxpk= 0, iat= 451, 519, r1= 1.30, r2= 1.80, r3= 3.13, r4= 3.63, &end
#
# 34 CYM HB3 36 ALA H 4.93
&rst
ixpk= 0, nxpk= 0, iat= 491, 519, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43, &end
#
# 35 LYS HB2 36 ALA H 4.32
&rst
ixpk= 0, nxpk= 0, iat= 501, 519, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82, &end
#
# 36 ALA H 36 ALA QB 2.52
&rst
ixpk= 0, nxpk= 0, iat= 519, -1, r1= 1.30, r2= 1.80, r3= 3.03, r4= 3.53,
igr2= 523, 524, 525,
&end
#
# 23 MET H 24 ASN H 5.09
&rst
ixpk= 0, nxpk= 0, iat= 307, 324, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59, &end
#
# 24 ASN H 25 PHE H 5.43
&rst
ixpk= 0, nxpk= 0, iat= 324, 338, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93, &end
#
# 24 ASN H 24 ASN HD22 4.64
&rst
ixpk= 0, nxpk= 0, iat= 324, 333, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14, &end
#
# 23 MET HA 24 ASN H 3.04
&rst
ixpk= 0, nxpk= 0, iat= 309, 324, r1= 1.30, r2= 1.80, r3= 3.04, r4= 3.54, &end
#
# 14 LYS HA 24 ASN H 3.87
&rst
ixpk= 0, nxpk= 0, iat= 182, 324, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37, &end
#
# 24 ASN H 24 ASN HD21 3.87
&rst
ixpk= 0, nxpk= 0, iat= 324, 334, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37, &end
#
# 23 MET HG2 24 ASN H 4.90
&rst
ixpk= 0, nxpk= 0, iat= 314, 324, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40, &end
#
# 23 MET QB 24 ASN H 4.45
&rst
ixpk= 0, nxpk= 0, iat= -1, 324, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49,
igr1= 311, 312,
&end
#
# 23 MET QE 24 ASN H 4.61
&rst
ixpk= 0, nxpk= 0, iat= -1, 324, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,
igr1= 318, 319, 320,
&end
#
# 24 ASN H 24 ASN HB3 3.96
&rst
ixpk= 0, nxpk= 0, iat= 324, 329, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46, &end
#
# 24 ASN H 24 ASN HB2 3.23
&rst
ixpk= 0, nxpk= 0, iat= 324, 328, r1= 1.30, r2= 1.80, r3= 3.23, r4= 3.73, &end
#
# 24 ASN HB3 28 ARG HG3 4.45
&rst
ixpk= 0, nxpk= 0, iat= 329, 401, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95, &end
#
# 15 CYM H 24 ASN H 4.69
&rst
ixpk= 0, nxpk= 0, iat= 202, 324, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19, &end
#
# 23 MET HG3 24 ASN H 4.90
&rst
ixpk= 0, nxpk= 0, iat= 315, 324, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40, &end
#
# 32 ASN H 33 GLN H 3.20
&rst
ixpk= 0, nxpk= 0, iat= 456, 470, r1= 1.30, r2= 1.80, r3= 3.20, r4= 3.70, &end
#
# 32 ASN H 34 CYM H 5.28
&rst
ixpk= 0, nxpk= 0, iat= 456, 487, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78, &end
#
# 32 ASN H 35 LYS H 5.14
&rst
ixpk= 0, nxpk= 0, iat= 456, 497, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64, &end
#
# 24 ASN HD22 32 ASN H 3.85
&rst
ixpk= 0, nxpk= 0, iat= 333, 456, r1= 1.30, r2= 1.80, r3= 3.85, r4= 4.35, &end
#
# 22 ASN QD2 32 ASN H 3.34
&rst
ixpk= 0, nxpk= 0, iat= -1, 456, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25,
igr1= 302, 303,
&end
#
# 24 ASN HA 32 ASN H 5.28
&rst
ixpk= 0, nxpk= 0, iat= 326, 456, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78, &end
#
# 31 CYM HA 32 ASN H 2.52
&rst
ixpk= 0, nxpk= 0, iat= 448, 456, r1= 1.30, r2= 1.80, r3= 2.52, r4= 3.02, &end
#
# 31 CYM HB3 32 ASN H 4.54
&rst
ixpk= 0, nxpk= 0, iat= 450, 456, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04, &end
#
# 31 CYM HB2 32 ASN H 4.08
&rst
ixpk= 0, nxpk= 0, iat= 451, 456, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58, &end
#
# 28 ARG HD3 32 ASN H 4.37
&rst
ixpk= 0, nxpk= 0, iat= 404, 456, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87, &end
#
# 32 ASN H 32 ASN HB2 2.86
&rst
ixpk= 0, nxpk= 0, iat= 456, 460, r1= 1.30, r2= 1.80, r3= 2.86, r4= 3.36, &end
#
# 32 ASN H 32 ASN HB3 3.06
&rst
ixpk= 0, nxpk= 0, iat= 456, 461, r1= 1.30, r2= 1.80, r3= 3.06, r4= 3.56, &end
#
# 32 ASN H 33 GLN HG3 4.66
&rst
ixpk= 0, nxpk= 0, iat= 456, 478, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16, &end
#
# 24 ASN HB3 32 ASN H 5.08
&rst
ixpk= 0, nxpk= 0, iat= 329, 456, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58, &end
#
# 24 ASN HB2 32 ASN H 5.50
&rst
ixpk= 0, nxpk= 0, iat= 328, 456, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 17 ASN H 17 ASN HD21 4.82
&rst
ixpk= 0, nxpk= 0, iat= 226, 236, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32, &end
#
# 16 PRO HA 17 ASN H 3.53
&rst
ixpk= 0, nxpk= 0, iat= 222, 226, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03, &end
#
# 17 ASN H 18 PRO HD3 5.00
&rst
ixpk= 0, nxpk= 0, iat= 226, 242, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 17 ASN H 17 ASN HB2 2.70
&rst
ixpk= 0, nxpk= 0, iat= 226, 230, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20, &end
#
# 17 ASN H 20 CYM HB3 3.90
&rst
ixpk= 0, nxpk= 0, iat= 226, 272, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40, &end
#
# 17 ASN H 17 ASN HB3 3.18
&rst
ixpk= 0, nxpk= 0, iat= 226, 231, r1= 1.30, r2= 1.80, r3= 3.18, r4= 3.68, &end
#
# 16 PRO HB2 17 ASN H 3.98
&rst
ixpk= 0, nxpk= 0, iat= 219, 226, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48, &end
#
# 16 PRO HG3 17 ASN H 4.53
&rst
ixpk= 0, nxpk= 0, iat= 217, 226, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03, &end
#
# 16 PRO HG2 17 ASN H 3.47
&rst
ixpk= 0, nxpk= 0, iat= 216, 226, r1= 1.30, r2= 1.80, r3= 3.47, r4= 3.97, &end
#
# 17 ASN H 36 ALA QB 3.77
&rst
ixpk= 0, nxpk= 0, iat= 226, -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
igr2= 523, 524, 525,
&end
#
# 14 LYS H 24 ASN HD21 5.44
&rst
ixpk= 0, nxpk= 0, iat= 180, 334, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94, &end
#
# 13 TRP HB2 14 LYS H 3.40
&rst
ixpk= 0, nxpk= 0, iat= 160, 180, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90, &end
#
# 13 TRP HE3 14 LYS H 4.49
&rst
ixpk= 0, nxpk= 0, iat= 175, 180, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99, &end
#
# 13 TRP HA 14 LYS H 2.57
&rst
ixpk= 0, nxpk= 0, iat= 158, 180, r1= 1.30, r2= 1.80, r3= 2.57, r4= 3.07, &end
#
# 13 TRP HB3 14 LYS H 4.17
&rst
ixpk= 0, nxpk= 0, iat= 161, 180, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67, &end
#
# 14 LYS H 14 LYS HB3 2.87
&rst
ixpk= 0, nxpk= 0, iat= 180, 185, r1= 1.30, r2= 1.80, r3= 2.87, r4= 3.37, &end
#
# 14 LYS H 14 LYS HB2 2.91
&rst
ixpk= 0, nxpk= 0, iat= 180, 184, r1= 1.30, r2= 1.80, r3= 2.91, r4= 3.41, &end
#
# 14 LYS H 14 LYS HG2 4.78
&rst
ixpk= 0, nxpk= 0, iat= 180, 187, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28, &end
#
# 14 LYS H 14 LYS HG3 4.78
&rst
ixpk= 0, nxpk= 0, iat= 180, 188, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28, &end
#
# 30 GLU H 31 CYM H 4.68
&rst
ixpk= 0, nxpk= 0, iat= 431, 446, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18, &end
#
# 31 CYM H 38 LYS H 4.90
&rst
ixpk= 0, nxpk= 0, iat= 446, 543, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40, &end
#
# 13 TRP HZ2 31 CYM H 4.54
&rst
ixpk= 0, nxpk= 0, iat= 169, 446, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04, &end
#
# 31 CYM H 32 ASN H 4.65
&rst
ixpk= 0, nxpk= 0, iat= 446, 456, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15, &end
#
# 31 CYM H 35 LYS H 4.13
&rst
ixpk= 0, nxpk= 0, iat= 446, 497, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63, &end
#
# 13 TRP HH2 31 CYM H 3.05
&rst
ixpk= 0, nxpk= 0, iat= 171, 446, r1= 1.30, r2= 1.80, r3= 3.05, r4= 3.55, &end
#
# 30 GLU HA 31 CYM H 2.68
&rst
ixpk= 0, nxpk= 0, iat= 433, 446, r1= 1.30, r2= 1.80, r3= 2.68, r4= 3.18, &end
#
# 31 CYM H 36 ALA HA 4.31
&rst
ixpk= 0, nxpk= 0, iat= 446, 521, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81, &end
#
# 31 CYM H 35 LYS HA 3.50
&rst
ixpk= 0, nxpk= 0, iat= 446, 499, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 31 CYM H 31 CYM HB3 2.99
&rst
ixpk= 0, nxpk= 0, iat= 446, 450, r1= 1.30, r2= 1.80, r3= 2.99, r4= 3.49, &end
#
# 31 CYM H 31 CYM HB2 2.97
&rst
ixpk= 0, nxpk= 0, iat= 446, 451, r1= 1.30, r2= 1.80, r3= 2.97, r4= 3.47, &end
#
# 30 GLU HG3 31 CYM H 5.05
&rst
ixpk= 0, nxpk= 0, iat= 439, 446, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, &end
#
# 30 GLU HB2 31 CYM H 3.56
&rst
ixpk= 0, nxpk= 0, iat= 435, 446, r1= 1.30, r2= 1.80, r3= 3.56, r4= 4.06, &end
#
# 30 GLU HB3 31 CYM H 3.37
&rst
ixpk= 0, nxpk= 0, iat= 436, 446, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87, &end
#
# 31 CYM H 36 ALA QB 3.79
&rst
ixpk= 0, nxpk= 0, iat= 446, -1, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05,
igr2= 523, 524, 525,
&end
#
# 9 ARG H 10 ALA H 5.48
&rst
ixpk= 0, nxpk= 0, iat= 103, 127, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98, &end
#
# 10 ALA H 11 GLY H 5.50
&rst
ixpk= 0, nxpk= 0, iat= 127, 137, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 10 ALA H 10 ALA QB 3.23
&rst
ixpk= 0, nxpk= 0, iat= 127, -1, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38,
igr2= 131, 132, 133,
&end
#
# 17 ASN H 20 CYM H 5.14
&rst
ixpk= 0, nxpk= 0, iat= 226, 268, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64, &end
#
# 20 CYM H 21 GLU H 3.10
&rst
ixpk= 0, nxpk= 0, iat= 268, 278, r1= 1.30, r2= 1.80, r3= 3.10, r4= 3.60, &end
#
# 19 THR H 20 CYM H 2.78
&rst
ixpk= 0, nxpk= 0, iat= 254, 268, r1= 1.30, r2= 1.80, r3= 2.78, r4= 3.28, &end
#
# 17 ASN HD22 20 CYM H 5.50
&rst
ixpk= 0, nxpk= 0, iat= 235, 268, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 17 ASN HA 20 CYM H 5.25
&rst
ixpk= 0, nxpk= 0, iat= 228, 268, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75, &end
#
# 20 CYM H 21 GLU HA 4.68
&rst
ixpk= 0, nxpk= 0, iat= 268, 280, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18, &end
#
# 17 ASN HB2 20 CYM H 4.61
&rst
ixpk= 0, nxpk= 0, iat= 230, 268, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11, &end
#
# 20 CYM H 20 CYM HB3 2.98
&rst
ixpk= 0, nxpk= 0, iat= 268, 272, r1= 1.30, r2= 1.80, r3= 2.98, r4= 3.48, &end
#
# 20 CYM H 20 CYM HB2 3.31
&rst
ixpk= 0, nxpk= 0, iat= 268, 273, r1= 1.30, r2= 1.80, r3= 3.31, r4= 3.81, &end
#
# 20 CYM H 21 GLU HG3 3.83
&rst
ixpk= 0, nxpk= 0, iat= 268, 286, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33, &end
#
# 20 CYM H 21 GLU HG2 4.66
&rst
ixpk= 0, nxpk= 0, iat= 268, 285, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16, &end
#
# 19 THR HA 20 CYM H 3.37
&rst
ixpk= 0, nxpk= 0, iat= 256, 268, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87, &end
#
# 11 GLY H 12 ASP H 3.46
&rst
ixpk= 0, nxpk= 0, iat= 137, 144, r1= 1.30, r2= 1.80, r3= 3.46, r4= 3.96, &end
#
# 12 ASP H 26 SER H 4.72
&rst
ixpk= 0, nxpk= 0, iat= 144, 358, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, &end
#
# 22 ASN QD2 23 MET H 4.79
&rst
ixpk= 0, nxpk= 0, iat= -1, 307, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88,
igr1= 302, 303,
&end
#
# 14 LYS HA 23 MET H 5.10
&rst
ixpk= 0, nxpk= 0, iat= 182, 307, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60, &end
#
# 22 ASN HB2 23 MET H 4.57
&rst
ixpk= 0, nxpk= 0, iat= 297, 307, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07, &end
#
# 23 MET H 23 MET QB 2.84
&rst
ixpk= 0, nxpk= 0, iat= 307, -1, r1= 1.30, r2= 1.80, r3= 3.19, r4= 3.69,
igr2= 311, 312,
&end
#
# 14 LYS QD 23 MET H 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 307, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 190, 191,
&end
#
# 13 TRP HZ2 38 LYS H 4.81
&rst
ixpk= 0, nxpk= 0, iat= 169, 543, r1= 1.30, r2= 1.80, r3= 4.81, r4= 5.31, &end
#
# 30 GLU H 38 LYS H 4.99
&rst
ixpk= 0, nxpk= 0, iat= 431, 543, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49, &end
#
# 13 TRP HH2 38 LYS H 4.33
&rst
ixpk= 0, nxpk= 0, iat= 171, 543, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83, &end
#
# 30 GLU HA 38 LYS H 3.07
&rst
ixpk= 0, nxpk= 0, iat= 433, 543, r1= 1.30, r2= 1.80, r3= 3.07, r4= 3.57, &end
#
# 29 ASN HA 38 LYS H 4.54
&rst
ixpk= 0, nxpk= 0, iat= 419, 543, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04, &end
#
# 38 LYS H 39 PRO HD3 4.34
&rst
ixpk= 0, nxpk= 0, iat= 543, 567, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84, &end
#
# 38 LYS H 39 PRO HD2 4.93
&rst
ixpk= 0, nxpk= 0, iat= 543, 566, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43, &end
#
# 38 LYS H 39 PRO HG2 4.38
&rst
ixpk= 0, nxpk= 0, iat= 543, 569, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88, &end
#
# 37 PRO HB2 38 LYS H 3.77
&rst
ixpk= 0, nxpk= 0, iat= 536, 543, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27, &end
#
# 38 LYS H 38 LYS HB2 2.91
&rst
ixpk= 0, nxpk= 0, iat= 543, 547, r1= 1.30, r2= 1.80, r3= 2.91, r4= 3.41, &end
#
# 38 LYS H 38 LYS HB3 2.76
&rst
ixpk= 0, nxpk= 0, iat= 543, 548, r1= 1.30, r2= 1.80, r3= 2.76, r4= 3.26, &end
#
# 38 LYS H 38 LYS HG2 4.51
&rst
ixpk= 0, nxpk= 0, iat= 543, 550, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01, &end
#
# 13 TRP HE1 28 ARG H 3.88
&rst
ixpk= 0, nxpk= 0, iat= 166, 393, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38, &end
#
# 26 SER H 28 ARG H 4.84
&rst
ixpk= 0, nxpk= 0, iat= 358, 393, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34, &end
#
# 27 TRP HE3 28 ARG H 5.03
&rst
ixpk= 0, nxpk= 0, iat= 388, 393, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53, &end
#
# 27 TRP H 28 ARG H 3.14
&rst
ixpk= 0, nxpk= 0, iat= 369, 393, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64, &end
#
# 27 TRP HB2 28 ARG H 4.92
&rst
ixpk= 0, nxpk= 0, iat= 373, 393, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42, &end
#
# 27 TRP HB3 28 ARG H 4.89
&rst
ixpk= 0, nxpk= 0, iat= 374, 393, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39, &end
#
# 28 ARG H 28 ARG HD2 5.00
&rst
ixpk= 0, nxpk= 0, iat= 393, 403, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 28 ARG H 28 ARG HD3 5.02
&rst
ixpk= 0, nxpk= 0, iat= 393, 404, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52, &end
#
# 25 PHE HB2 28 ARG H 4.54
&rst
ixpk= 0, nxpk= 0, iat= 342, 393, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04, &end
#
# 28 ARG H 28 ARG HB3 3.66
&rst
ixpk= 0, nxpk= 0, iat= 393, 398, r1= 1.30, r2= 1.80, r3= 3.66, r4= 4.16, &end
#
# 28 ARG H 28 ARG HB2 2.92
&rst
ixpk= 0, nxpk= 0, iat= 393, 397, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42, &end
#
# 25 PHE HB3 28 ARG H 4.54
&rst
ixpk= 0, nxpk= 0, iat= 343, 393, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04, &end
#
# 24 ASN HB3 28 ARG H 5.34
&rst
ixpk= 0, nxpk= 0, iat= 329, 393, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84, &end
#
# 28 ARG H 28 ARG HG2 3.80
&rst
ixpk= 0, nxpk= 0, iat= 393, 400, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end
#
# 28 ARG H 28 ARG HG3 3.11
&rst
ixpk= 0, nxpk= 0, iat= 393, 401, r1= 1.30, r2= 1.80, r3= 3.11, r4= 3.61, &end
#
# 40 ASP H 41 GLY H 3.92
&rst
ixpk= 0, nxpk= 0, iat= 579, 591, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42, &end
#
# 39 PRO HD2 40 ASP H 5.50
&rst
ixpk= 0, nxpk= 0, iat= 566, 579, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 39 PRO HB2 40 ASP H 3.61
&rst
ixpk= 0, nxpk= 0, iat= 572, 579, r1= 1.30, r2= 1.80, r3= 3.61, r4= 4.11, &end
#
# 39 PRO HB3 40 ASP H 3.57
&rst
ixpk= 0, nxpk= 0, iat= 573, 579, r1= 1.30, r2= 1.80, r3= 3.57, r4= 4.07, &end
#
# 15 CYM H 22 ASN H 4.31
&rst
ixpk= 0, nxpk= 0, iat= 202, 293, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81, &end
#
# 22 ASN H 23 MET H 5.10
&rst
ixpk= 0, nxpk= 0, iat= 293, 307, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60, &end
#
# 21 GLU H 22 ASN H 3.32
&rst
ixpk= 0, nxpk= 0, iat= 278, 293, r1= 1.30, r2= 1.80, r3= 3.32, r4= 3.82, &end
#
# 22 ASN H 24 ASN HD22 4.97
&rst
ixpk= 0, nxpk= 0, iat= 293, 333, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47, &end
#
# 22 ASN H 22 ASN QD2 4.85
&rst
ixpk= 0, nxpk= 0, iat= 293, -1, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94,
igr2= 302, 303,
&end
#
# 20 CYM HA 22 ASN H 4.35
&rst
ixpk= 0, nxpk= 0, iat= 270, 293, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85, &end
#
# 20 CYM HB3 22 ASN H 3.98
&rst
ixpk= 0, nxpk= 0, iat= 272, 293, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48, &end
#
# 15 CYM HB3 22 ASN H 2.67
&rst
ixpk= 0, nxpk= 0, iat= 206, 293, r1= 1.30, r2= 1.80, r3= 2.67, r4= 3.17, &end
#
# 22 ASN H 22 ASN HB3 2.93
&rst
ixpk= 0, nxpk= 0, iat= 293, 298, r1= 1.30, r2= 1.80, r3= 2.93, r4= 3.43, &end
#
# 21 GLU HG2 22 ASN H 5.18
&rst
ixpk= 0, nxpk= 0, iat= 285, 293, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68, &end
#
# 22 ASN H 33 GLN HB2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 293, 474, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 25 PHE H 26 SER H 5.26
&rst
ixpk= 0, nxpk= 0, iat= 338, 358, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76, &end
#
# 25 PHE H 25 PHE QE 5.13
&rst
ixpk= 0, nxpk= 0, iat= 338, -1, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26,
igr2= 348, 352,
&end
#
# 25 PHE H 25 PHE QD 3.78
&rst
ixpk= 0, nxpk= 0, iat= 338, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr2= 346, 354,
&end
#
# 25 PHE H 28 ARG HD3 4.23
&rst
ixpk= 0, nxpk= 0, iat= 338, 404, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73, &end
#
# 25 PHE H 25 PHE HB3 4.02
&rst
ixpk= 0, nxpk= 0, iat= 338, 343, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52, &end
#
# 24 ASN HB3 25 PHE H 4.03
&rst
ixpk= 0, nxpk= 0, iat= 329, 338, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53, &end
#
# 25 PHE H 28 ARG HG3 4.55
&rst
ixpk= 0, nxpk= 0, iat= 338, 401, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05, &end
#
# 24 ASN HB2 25 PHE H 4.80
&rst
ixpk= 0, nxpk= 0, iat= 328, 338, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, &end
#
# 13 TRP H 13 TRP HE1 4.85
&rst
ixpk= 0, nxpk= 0, iat= 156, 166, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35, &end
#
# 13 TRP H 24 ASN H 3.81
&rst
ixpk= 0, nxpk= 0, iat= 156, 324, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31, &end
#
# 12 ASP H 13 TRP H 4.67
&rst
ixpk= 0, nxpk= 0, iat= 144, 156, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17, &end
#
# 13 TRP H 13 TRP HD1 3.34
&rst
ixpk= 0, nxpk= 0, iat= 156, 164, r1= 1.30, r2= 1.80, r3= 3.34, r4= 3.84, &end
#
# 12 ASP HA 13 TRP H 3.00
&rst
ixpk= 0, nxpk= 0, iat= 146, 156, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 13 TRP H 26 SER HA 4.51
&rst
ixpk= 0, nxpk= 0, iat= 156, 360, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01, &end
#
# 13 TRP H 13 TRP HB2 4.13
&rst
ixpk= 0, nxpk= 0, iat= 156, 160, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63, &end
#
# 12 ASP HB3 13 TRP H 3.19
&rst
ixpk= 0, nxpk= 0, iat= 149, 156, r1= 1.30, r2= 1.80, r3= 3.19, r4= 3.69, &end
#
# 13 TRP H 24 ASN HB2 3.92
&rst
ixpk= 0, nxpk= 0, iat= 156, 328, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42, &end
#
# 31 CYM H 34 CYM H 5.43
&rst
ixpk= 0, nxpk= 0, iat= 446, 487, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93, &end
#
# 33 GLN H 34 CYM H 2.82
&rst
ixpk= 0, nxpk= 0, iat= 470, 487, r1= 1.30, r2= 1.80, r3= 2.82, r4= 3.32, &end
#
# 34 CYM H 36 ALA H 4.06
&rst
ixpk= 0, nxpk= 0, iat= 487, 519, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56, &end
#
# 34 CYM H 35 LYS H 2.80
&rst
ixpk= 0, nxpk= 0, iat= 487, 497, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 22 ASN QD2 34 CYM H 5.28
&rst
ixpk= 0, nxpk= 0, iat= -1, 487, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43,
igr1= 302, 303,
&end
#
# 34 CYM H 35 LYS HA 4.30
&rst
ixpk= 0, nxpk= 0, iat= 487, 499, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 31 CYM HB3 34 CYM H 3.41
&rst
ixpk= 0, nxpk= 0, iat= 450, 487, r1= 1.30, r2= 1.80, r3= 3.41, r4= 3.91, &end
#
# 31 CYM HB2 34 CYM H 4.25
&rst
ixpk= 0, nxpk= 0, iat= 451, 487, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75, &end
#
# 34 CYM H 34 CYM HB3 3.29
&rst
ixpk= 0, nxpk= 0, iat= 487, 491, r1= 1.30, r2= 1.80, r3= 3.29, r4= 3.79, &end
#
# 33 GLN HB3 34 CYM H 3.64
&rst
ixpk= 0, nxpk= 0, iat= 475, 487, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14, &end
#
# 33 GLN HB2 34 CYM H 3.03
&rst
ixpk= 0, nxpk= 0, iat= 474, 487, r1= 1.30, r2= 1.80, r3= 3.03, r4= 3.53, &end
#
# 34 CYM H 36 ALA QB 4.59
&rst
ixpk= 0, nxpk= 0, iat= 487, -1, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01,
igr2= 523, 524, 525,
&end
#
# 29 ASN H 30 GLU H 3.68
&rst
ixpk= 0, nxpk= 0, iat= 417, 431, r1= 1.30, r2= 1.80, r3= 3.68, r4= 4.18, &end
#
# 13 TRP HZ2 30 GLU H 3.52
&rst
ixpk= 0, nxpk= 0, iat= 169, 431, r1= 1.30, r2= 1.80, r3= 3.52, r4= 4.02, &end
#
# 30 GLU H 37 PRO HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= 431, 539, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 28 ARG HA 30 GLU H 3.95
&rst
ixpk= 0, nxpk= 0, iat= 395, 431, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45, &end
#
# 28 ARG HD2 30 GLU H 5.50
&rst
ixpk= 0, nxpk= 0, iat= 403, 431, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 29 ASN HB2 30 GLU H 4.07
&rst
ixpk= 0, nxpk= 0, iat= 421, 431, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57, &end
#
# 29 ASN HB3 30 GLU H 4.18
&rst
ixpk= 0, nxpk= 0, iat= 422, 431, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68, &end
#
# 30 GLU H 30 GLU HG3 3.38
&rst
ixpk= 0, nxpk= 0, iat= 431, 439, r1= 1.30, r2= 1.80, r3= 3.38, r4= 3.88, &end
#
# 30 GLU H 30 GLU HB2 2.86
&rst
ixpk= 0, nxpk= 0, iat= 431, 435, r1= 1.30, r2= 1.80, r3= 2.86, r4= 3.36, &end
#
# 30 GLU H 30 GLU HB3 3.88
&rst
ixpk= 0, nxpk= 0, iat= 431, 436, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38, &end
#
# 28 ARG HG2 30 GLU H 4.34
&rst
ixpk= 0, nxpk= 0, iat= 400, 431, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84, &end
#
# 30 GLU H 38 LYS HB3 5.33
&rst
ixpk= 0, nxpk= 0, iat= 431, 548, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83, &end
#
# 13 TRP HH2 30 GLU H 4.75
&rst
ixpk= 0, nxpk= 0, iat= 171, 431, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25, &end
#
# 33 GLN H 36 ALA H 4.63
&rst
ixpk= 0, nxpk= 0, iat= 470, 519, r1= 1.30, r2= 1.80, r3= 4.63, r4= 5.13, &end
#
# 24 ASN HD22 33 GLN H 5.36
&rst
ixpk= 0, nxpk= 0, iat= 333, 470, r1= 1.30, r2= 1.80, r3= 5.36, r4= 5.86, &end
#
# 22 ASN QD2 33 GLN H 4.44
&rst
ixpk= 0, nxpk= 0, iat= -1, 470, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48,
igr1= 302, 303,
&end
#
# 33 GLN H 34 CYM HA 5.30
&rst
ixpk= 0, nxpk= 0, iat= 470, 489, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, &end
#
# 31 CYM HA 33 GLN H 4.30
&rst
ixpk= 0, nxpk= 0, iat= 448, 470, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 31 CYM HB3 33 GLN H 4.28
&rst
ixpk= 0, nxpk= 0, iat= 450, 470, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78, &end
#
# 31 CYM HB2 33 GLN H 4.73
&rst
ixpk= 0, nxpk= 0, iat= 451, 470, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23, &end
#
# 22 ASN HB3 33 GLN H 4.95
&rst
ixpk= 0, nxpk= 0, iat= 298, 470, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45, &end
#
# 32 ASN HB2 33 GLN H 4.56
&rst
ixpk= 0, nxpk= 0, iat= 460, 470, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06, &end
#
# 32 ASN HB3 33 GLN H 4.06
&rst
ixpk= 0, nxpk= 0, iat= 461, 470, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56, &end
#
# 33 GLN H 33 GLN HG3 4.54
&rst
ixpk= 0, nxpk= 0, iat= 470, 478, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04, &end
#
# 33 GLN H 33 GLN HB2 3.04
&rst
ixpk= 0, nxpk= 0, iat= 470, 474, r1= 1.30, r2= 1.80, r3= 3.04, r4= 3.54, &end
#
# 13 TRP HD1 26 SER H 5.39
&rst
ixpk= 0, nxpk= 0, iat= 164, 358, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89, &end
#
# 25 PHE QD 26 SER H 4.08
&rst
ixpk= 0, nxpk= 0, iat= -1, 358, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
igr1= 346, 354,
&end
#
# 25 PHE HA 26 SER H 2.77
&rst
ixpk= 0, nxpk= 0, iat= 340, 358, r1= 1.30, r2= 1.80, r3= 2.77, r4= 3.27, &end
#
# 26 SER H 26 SER HB2 3.54
&rst
ixpk= 0, nxpk= 0, iat= 358, 362, r1= 1.30, r2= 1.80, r3= 3.54, r4= 4.04, &end
#
# 26 SER H 26 SER HB3 3.54
&rst
ixpk= 0, nxpk= 0, iat= 358, 363, r1= 1.30, r2= 1.80, r3= 3.54, r4= 4.04, &end
#
# 25 PHE HB2 26 SER H 4.28
&rst
ixpk= 0, nxpk= 0, iat= 342, 358, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78, &end
#
# 25 PHE HB3 26 SER H 4.28
&rst
ixpk= 0, nxpk= 0, iat= 343, 358, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78, &end
#
# 33 GLN H 35 LYS H 3.83
&rst
ixpk= 0, nxpk= 0, iat= 470, 497, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33, &end
#
# 35 LYS H 35 LYS HA 2.43
&rst
ixpk= 0, nxpk= 0, iat= 497, 499, r1= 1.30, r2= 1.80, r3= 2.43, r4= 2.93, &end
#
# 31 CYM HB3 35 LYS H 2.97
&rst
ixpk= 0, nxpk= 0, iat= 450, 497, r1= 1.30, r2= 1.80, r3= 2.97, r4= 3.47, &end
#
# 34 CYM HB3 35 LYS H 4.84
&rst
ixpk= 0, nxpk= 0, iat= 491, 497, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34, &end
#
# 35 LYS H 35 LYS HB2 3.66
&rst
ixpk= 0, nxpk= 0, iat= 497, 501, r1= 1.30, r2= 1.80, r3= 3.66, r4= 4.16, &end
#
# 35 LYS H 36 ALA QB 4.51
&rst
ixpk= 0, nxpk= 0, iat= 497, -1, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,
igr2= 523, 524, 525,
&end
#
# 35 LYS H 35 LYS HG3 4.36
&rst
ixpk= 0, nxpk= 0, iat= 497, 505, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86, &end
#
# 27 TRP H 28 ARG HG3 5.50
&rst
ixpk= 0, nxpk= 0, iat= 369, 401, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 27 TRP H 27 TRP HE1 4.71
&rst
ixpk= 0, nxpk= 0, iat= 369, 379, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21, &end
#
# 26 SER H 27 TRP H 3.70
&rst
ixpk= 0, nxpk= 0, iat= 358, 369, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20, &end
#
# 27 TRP H 27 TRP HD1 3.06
&rst
ixpk= 0, nxpk= 0, iat= 369, 377, r1= 1.30, r2= 1.80, r3= 3.06, r4= 3.56, &end
#
# 25 PHE HA 27 TRP H 5.00
&rst
ixpk= 0, nxpk= 0, iat= 340, 369, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 26 SER HB2 27 TRP H 4.22
&rst
ixpk= 0, nxpk= 0, iat= 362, 369, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72, &end
#
# 26 SER HB3 27 TRP H 4.22
&rst
ixpk= 0, nxpk= 0, iat= 363, 369, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72, &end
#
# 27 TRP H 27 TRP HB2 3.84
&rst
ixpk= 0, nxpk= 0, iat= 369, 373, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34, &end
#
# 27 TRP H 27 TRP HB3 3.28
&rst
ixpk= 0, nxpk= 0, iat= 369, 374, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78, &end
#
# 25 PHE HB2 27 TRP H 4.30
&rst
ixpk= 0, nxpk= 0, iat= 342, 369, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 25 PHE HB3 27 TRP H 4.30
&rst
ixpk= 0, nxpk= 0, iat= 343, 369, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 39 PRO HA 41 GLY H 4.91
&rst
ixpk= 0, nxpk= 0, iat= 575, 591, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41, &end
#
# 39 PRO HB2 41 GLY H 4.86
&rst
ixpk= 0, nxpk= 0, iat= 572, 591, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36, &end
#
# 39 PRO HB3 41 GLY H 4.83
&rst
ixpk= 0, nxpk= 0, iat= 573, 591, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33, &end
#
# 22 ASN QD2 32 ASN HD21 5.02
&rst
ixpk= 0, nxpk= 0, iat= -1, 466, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13,
igr1= 302, 303,
&end
#
# 22 ASN QD2 24 ASN HD22 4.07
&rst
ixpk= 0, nxpk= 0, iat= -1, 333, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07,
igr1= 302, 303,
&end
#
# 22 ASN QD2 33 GLN HE22 4.52
&rst
ixpk= 0, nxpk= 0, iat= -1, 482, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,
igr1= 302, 303,
&end
#
# 22 ASN QD2 24 ASN HA 4.77
&rst
ixpk= 0, nxpk= 0, iat= -1, 326, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85,
igr1= 302, 303,
&end
#
# 22 ASN QD2 24 ASN HD21 5.49
&rst
ixpk= 0, nxpk= 0, iat= -1, 334, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66,
igr1= 302, 303,
&end
#
# 22 ASN QD2 33 GLN HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 472, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 302, 303,
&end
#
# 22 ASN HA 22 ASN QD2 4.96
&rst
ixpk= 0, nxpk= 0, iat= 295, -1, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07,
igr2= 302, 303,
&end
#
# 22 ASN QD2 31 CYM HA 4.64
&rst
ixpk= 0, nxpk= 0, iat= -1, 448, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71,
igr1= 302, 303,
&end
#
# 22 ASN HB3 22 ASN QD2 3.06
&rst
ixpk= 0, nxpk= 0, iat= 298, -1, r1= 1.30, r2= 1.80, r3= 3.43, r4= 3.93,
igr2= 302, 303,
&end
#
# 22 ASN QD2 32 ASN HB3 3.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 461, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 302, 303,
&end
#
# 22 ASN QD2 33 GLN HG3 3.89
&rst
ixpk= 0, nxpk= 0, iat= -1, 478, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87,
igr1= 302, 303,
&end
#
# 22 ASN QD2 33 GLN HB2 4.68
&rst
ixpk= 0, nxpk= 0, iat= -1, 474, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75,
igr1= 302, 303,
&end
#
# 15 CYM HA 24 ASN HD22 4.98
&rst
ixpk= 0, nxpk= 0, iat= 204, 333, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48, &end
#
# 14 LYS HA 24 ASN HD22 5.18
&rst
ixpk= 0, nxpk= 0, iat= 182, 333, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68, &end
#
# 24 ASN HD22 31 CYM HA 3.73
&rst
ixpk= 0, nxpk= 0, iat= 333, 448, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23, &end
#
# 22 ASN HB3 24 ASN HD22 3.99
&rst
ixpk= 0, nxpk= 0, iat= 298, 333, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49, &end
#
# 17 ASN HD21 19 THR H 5.28
&rst
ixpk= 0, nxpk= 0, iat= 236, 254, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78, &end
#
# 17 ASN HA 17 ASN HD21 4.34
&rst
ixpk= 0, nxpk= 0, iat= 228, 236, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84, &end
#
# 17 ASN HB2 17 ASN HD21 3.13
&rst
ixpk= 0, nxpk= 0, iat= 230, 236, r1= 1.30, r2= 1.80, r3= 3.13, r4= 3.63, &end
#
# 17 ASN HD21 34 CYM HB2 3.26
&rst
ixpk= 0, nxpk= 0, iat= 236, 492, r1= 1.30, r2= 1.80, r3= 3.26, r4= 3.76, &end
#
# 17 ASN HB3 17 ASN HD21 3.12
&rst
ixpk= 0, nxpk= 0, iat= 231, 236, r1= 1.30, r2= 1.80, r3= 3.12, r4= 3.62, &end
#
# 17 ASN HD21 36 ALA QB 3.88
&rst
ixpk= 0, nxpk= 0, iat= 236, -1, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,
igr2= 523, 524, 525,
&end
#
# 17 ASN HA 17 ASN HD22 4.84
&rst
ixpk= 0, nxpk= 0, iat= 228, 235, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34, &end
#
# 17 ASN HB2 17 ASN HD22 3.79
&rst
ixpk= 0, nxpk= 0, iat= 230, 235, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29, &end
#
# 17 ASN HD22 34 CYM HB2 3.99
&rst
ixpk= 0, nxpk= 0, iat= 235, 492, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49, &end
#
# 17 ASN HB3 17 ASN HD22 3.70
&rst
ixpk= 0, nxpk= 0, iat= 231, 235, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20, &end
#
# 17 ASN HD22 20 CYM HB2 4.32
&rst
ixpk= 0, nxpk= 0, iat= 235, 273, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82, &end
#
# 17 ASN HD22 36 ALA QB 4.63
&rst
ixpk= 0, nxpk= 0, iat= 235, -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
igr2= 523, 524, 525,
&end
#
# 17 ASN HD21 36 ALA H 5.50
&rst
ixpk= 0, nxpk= 0, iat= 236, 519, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 32 ASN H 32 ASN HD21 4.95
&rst
ixpk= 0, nxpk= 0, iat= 456, 466, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45, &end
#
# 28 ARG HD2 32 ASN HD21 5.21
&rst
ixpk= 0, nxpk= 0, iat= 403, 466, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71, &end
#
# 32 ASN HB3 32 ASN HD21 3.15
&rst
ixpk= 0, nxpk= 0, iat= 461, 466, r1= 1.30, r2= 1.80, r3= 3.15, r4= 3.65, &end
#
# 32 ASN HA 32 ASN HD21 5.27
&rst
ixpk= 0, nxpk= 0, iat= 458, 466, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77, &end
#
# 28 ARG HD2 32 ASN HD22 4.97
&rst
ixpk= 0, nxpk= 0, iat= 403, 465, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47, &end
#
# 32 ASN HB3 32 ASN HD22 3.87
&rst
ixpk= 0, nxpk= 0, iat= 461, 465, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37, &end
#
# 33 GLN HA 33 GLN HE21 5.24
&rst
ixpk= 0, nxpk= 0, iat= 472, 483, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74, &end
#
# 11 GLY H 12 ASP HA 4.96
&rst
ixpk= 0, nxpk= 0, iat= 137, 146, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46, &end
#
# 10 ALA HA 11 GLY H 3.21
&rst
ixpk= 0, nxpk= 0, iat= 129, 137, r1= 1.30, r2= 1.80, r3= 3.21, r4= 3.71, &end
#
# 10 ALA QB 11 GLY H 4.07
&rst
ixpk= 0, nxpk= 0, iat= -1, 137, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39,
igr1= 131, 132, 133,
&end
#
# 17 ASN H 21 GLU H 4.45
&rst
ixpk= 0, nxpk= 0, iat= 226, 278, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95, &end
#
# 21 GLU H 21 GLU HA 2.76
&rst
ixpk= 0, nxpk= 0, iat= 278, 280, r1= 1.30, r2= 1.80, r3= 2.76, r4= 3.26, &end
#
# 20 CYM HB3 21 GLU H 2.84
&rst
ixpk= 0, nxpk= 0, iat= 272, 278, r1= 1.30, r2= 1.80, r3= 2.84, r4= 3.34, &end
#
# 15 CYM HB3 21 GLU H 3.51
&rst
ixpk= 0, nxpk= 0, iat= 206, 278, r1= 1.30, r2= 1.80, r3= 3.51, r4= 4.01, &end
#
# 21 GLU H 21 GLU HG3 3.52
&rst
ixpk= 0, nxpk= 0, iat= 278, 286, r1= 1.30, r2= 1.80, r3= 3.52, r4= 4.02, &end
#
# 21 GLU H 21 GLU HG2 3.38
&rst
ixpk= 0, nxpk= 0, iat= 278, 285, r1= 1.30, r2= 1.80, r3= 3.38, r4= 3.88, &end
#
# 17 ASN HD22 19 THR H 4.96
&rst
ixpk= 0, nxpk= 0, iat= 235, 254, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46, &end
#
# 17 ASN HA 19 THR H 4.67
&rst
ixpk= 0, nxpk= 0, iat= 228, 254, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17, &end
#
# 18 PRO HD2 19 THR H 3.52
&rst
ixpk= 0, nxpk= 0, iat= 241, 254, r1= 1.30, r2= 1.80, r3= 3.52, r4= 4.02, &end
#
# 18 PRO HG2 19 THR H 3.09
&rst
ixpk= 0, nxpk= 0, iat= 244, 254, r1= 1.30, r2= 1.80, r3= 3.09, r4= 3.59, &end
#
# 19 THR H 19 THR QG2 3.11
&rst
ixpk= 0, nxpk= 0, iat= 254, -1, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23,
igr2= 260, 261, 262,
&end
#
# 17 ASN HB2 19 THR H 4.91
&rst
ixpk= 0, nxpk= 0, iat= 230, 254, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41, &end
#
# 19 THR H 20 CYM HB3 4.78
&rst
ixpk= 0, nxpk= 0, iat= 254, 272, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28, &end
#
# 10 ALA QB 11 GLY HA3 4.63
&rst
ixpk= 0, nxpk= 0, iat= -1, 140, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
igr1= 131, 132, 133,
&end
#
# 10 ALA QB 11 GLY HA2 4.63
&rst
ixpk= 0, nxpk= 0, iat= -1, 139, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
igr1= 131, 132, 133,
&end
#
# 28 ARG HA 28 ARG HD2 4.82
&rst
ixpk= 0, nxpk= 0, iat= 395, 403, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32, &end
#
# 28 ARG HD2 32 ASN HB2 3.85
&rst
ixpk= 0, nxpk= 0, iat= 403, 460, r1= 1.30, r2= 1.80, r3= 3.85, r4= 4.35, &end
#
# 28 ARG HD2 32 ASN HB3 5.16
&rst
ixpk= 0, nxpk= 0, iat= 403, 461, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66, &end
#
# 28 ARG HD2 32 ASN H 4.99
&rst
ixpk= 0, nxpk= 0, iat= 403, 456, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49, &end
#
# 28 ARG HB3 28 ARG HD2 3.64
&rst
ixpk= 0, nxpk= 0, iat= 398, 403, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14, &end
#
# 24 ASN HB3 28 ARG HD2 4.35
&rst
ixpk= 0, nxpk= 0, iat= 329, 403, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85, &end
#
# 28 ARG HB3 28 ARG HD3 3.69
&rst
ixpk= 0, nxpk= 0, iat= 398, 404, r1= 1.30, r2= 1.80, r3= 3.69, r4= 4.19, &end
#
# 28 ARG HD3 32 ASN HB2 3.81
&rst
ixpk= 0, nxpk= 0, iat= 404, 460, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31, &end
#
# 14 LYS QE 15 CYM HA 4.88
&rst
ixpk= 0, nxpk= 0, iat= -1, 204, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98,
igr1= 193, 194,
&end
#
# 35 LYS HA 35 LYS QE 5.19
&rst
ixpk= 0, nxpk= 0, iat= 499, -1, r1= 1.30, r2= 1.80, r3= 5.83, r4= 6.33,
igr2= 510, 511,
&end
#
# 14 LYS QE 21 GLU HG3 4.20
&rst
ixpk= 0, nxpk= 0, iat= -1, 286, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
igr1= 193, 194,
&end
#
# 14 LYS QD 14 LYS QE 2.86
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr1= 190, 191,
igr2= 193, 194,
&end
#
# 14 LYS QE 21 GLU HG2 3.59
&rst
ixpk= 0, nxpk= 0, iat= -1, 285, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53,
igr1= 193, 194,
&end
#
# 38 LYS HA 38 LYS QE 4.67
&rst
ixpk= 0, nxpk= 0, iat= 545, -1, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,
igr2= 556, 557,
&end
#
# 38 LYS QD 38 LYS QE 2.81
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.54, r4= 4.04,
igr1= 553, 554,
igr2= 556, 557,
&end
#
# 38 LYS HG3 38 LYS QE 3.29
&rst
ixpk= 0, nxpk= 0, iat= 551, -1, r1= 1.30, r2= 1.80, r3= 3.69, r4= 4.19,
igr2= 556, 557,
&end
#
# 38 LYS HG2 38 LYS QE 3.41
&rst
ixpk= 0, nxpk= 0, iat= 550, -1, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33,
igr2= 556, 557,
&end
#
# 38 LYS QE 39 PRO HD2 3.97
&rst
ixpk= 0, nxpk= 0, iat= -1, 566, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96,
igr1= 556, 557,
&end
#
# 38 LYS HB3 38 LYS QE 4.08
&rst
ixpk= 0, nxpk= 0, iat= 548, -1, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
igr2= 556, 557,
&end
#
# 13 TRP H 24 ASN HB3 5.11
&rst
ixpk= 0, nxpk= 0, iat= 156, 329, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61, &end
#
# 24 ASN HB3 28 ARG HD3 3.95
&rst
ixpk= 0, nxpk= 0, iat= 329, 404, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45, &end
#
# 24 ASN HB3 28 ARG HB2 3.77
&rst
ixpk= 0, nxpk= 0, iat= 329, 397, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27, &end
#
# 24 ASN HB3 31 CYM HA 4.91
&rst
ixpk= 0, nxpk= 0, iat= 329, 448, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41, &end
#
# 14 LYS HA 24 ASN HB2 5.31
&rst
ixpk= 0, nxpk= 0, iat= 182, 328, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81, &end
#
# 24 ASN HB2 24 ASN HD21 3.41
&rst
ixpk= 0, nxpk= 0, iat= 328, 334, r1= 1.30, r2= 1.80, r3= 3.41, r4= 3.91, &end
#
# 24 ASN HB2 28 ARG HD3 5.06
&rst
ixpk= 0, nxpk= 0, iat= 328, 404, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56, &end
#
# 23 MET QE 24 ASN HB2 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 328, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 318, 319, 320,
&end
#
# 24 ASN HB2 28 ARG HB3 5.50
&rst
ixpk= 0, nxpk= 0, iat= 328, 398, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 13 TRP HB3 24 ASN HB2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 161, 328, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 24 ASN HB2 28 ARG HD2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 328, 403, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 24 ASN HB2 31 CYM HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= 328, 448, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 24 ASN HB2 28 ARG HB2 4.52
&rst
ixpk= 0, nxpk= 0, iat= 328, 397, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02, &end
#
# 22 ASN HB2 22 ASN QD2 3.55
&rst
ixpk= 0, nxpk= 0, iat= 297, -1, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48,
igr2= 302, 303,
&end
#
# 22 ASN HB2 33 GLN H 5.50
&rst
ixpk= 0, nxpk= 0, iat= 297, 470, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 22 ASN H 22 ASN HB2 3.25
&rst
ixpk= 0, nxpk= 0, iat= 293, 297, r1= 1.30, r2= 1.80, r3= 3.25, r4= 3.75, &end
#
# 22 ASN HB2 33 GLN HB2 4.09
&rst
ixpk= 0, nxpk= 0, iat= 297, 474, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59, &end
#
# 22 ASN HB3 33 GLN HB2 4.65
&rst
ixpk= 0, nxpk= 0, iat= 298, 474, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15, &end
#
# 22 ASN HB3 24 ASN HD21 5.12
&rst
ixpk= 0, nxpk= 0, iat= 298, 334, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62, &end
#
# 22 ASN HB2 24 ASN HD22 5.14
&rst
ixpk= 0, nxpk= 0, iat= 297, 333, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64, &end
#
# 22 ASN HB3 23 MET HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= 298, 309, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 22 ASN HB3 33 GLN HG3 4.90
&rst
ixpk= 0, nxpk= 0, iat= 298, 478, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40, &end
#
# 12 ASP HB2 13 TRP H 4.13
&rst
ixpk= 0, nxpk= 0, iat= 148, 156, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63, &end
#
# 12 ASP H 12 ASP HB3 3.79
&rst
ixpk= 0, nxpk= 0, iat= 144, 149, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29, &end
#
# 11 GLY H 12 ASP HB3 5.50
&rst
ixpk= 0, nxpk= 0, iat= 137, 149, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 29 ASN HB3 39 PRO HD2 4.50
&rst
ixpk= 0, nxpk= 0, iat= 422, 566, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 29 ASN HB3 30 GLU HG2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 422, 438, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 29 ASN HB3 38 LYS HB2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 422, 547, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 29 ASN HB3 38 LYS QD 5.50
&rst
ixpk= 0, nxpk= 0, iat= 422, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 553, 554,
&end
#
# 29 ASN HB3 38 LYS HB3 5.16
&rst
ixpk= 0, nxpk= 0, iat= 422, 548, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66, &end
#
# 22 ASN HB3 32 ASN HB2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 298, 460, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 28 ARG HD3 32 ASN HB3 5.50
&rst
ixpk= 0, nxpk= 0, iat= 404, 461, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 22 ASN QD2 32 ASN HB2 4.06
&rst
ixpk= 0, nxpk= 0, iat= -1, 460, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06,
igr1= 302, 303,
&end
#
# 32 ASN HB2 33 GLN HG2 4.63
&rst
ixpk= 0, nxpk= 0, iat= 460, 477, r1= 1.30, r2= 1.80, r3= 4.63, r4= 5.13, &end
#
# 31 CYM HA 32 ASN HB2 4.84
&rst
ixpk= 0, nxpk= 0, iat= 448, 460, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34, &end
#
# 32 ASN HB2 33 GLN HE21 5.50
&rst
ixpk= 0, nxpk= 0, iat= 460, 483, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 31 CYM HA 32 ASN HB3 5.39
&rst
ixpk= 0, nxpk= 0, iat= 448, 461, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89, &end
#
# 32 ASN HB3 33 GLN HG2 3.77
&rst
ixpk= 0, nxpk= 0, iat= 461, 477, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27, &end
#
# 17 ASN HB2 21 GLU H 4.62
&rst
ixpk= 0, nxpk= 0, iat= 230, 278, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12, &end
#
# 17 ASN HB2 20 CYM HB3 3.23
&rst
ixpk= 0, nxpk= 0, iat= 230, 272, r1= 1.30, r2= 1.80, r3= 3.23, r4= 3.73, &end
#
# 17 ASN HB2 20 CYM HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= 230, 270, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 17 ASN HB2 18 PRO HD2 4.46
&rst
ixpk= 0, nxpk= 0, iat= 230, 241, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96, &end
#
# 17 ASN HB3 20 CYM H 4.14
&rst
ixpk= 0, nxpk= 0, iat= 231, 268, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64, &end
#
# 17 ASN HB3 18 PRO HD3 5.06
&rst
ixpk= 0, nxpk= 0, iat= 231, 242, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56, &end
#
# 17 ASN HB3 18 PRO HD2 4.25
&rst
ixpk= 0, nxpk= 0, iat= 231, 241, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75, &end
#
# 16 PRO HG2 17 ASN HB3 5.50
&rst
ixpk= 0, nxpk= 0, iat= 216, 231, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 17 ASN HB3 18 PRO HG2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 231, 244, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 17 ASN HB3 36 ALA QB 4.24
&rst
ixpk= 0, nxpk= 0, iat= 231, -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
igr2= 523, 524, 525,
&end
#
# 17 ASN HB3 20 CYM HB3 3.58
&rst
ixpk= 0, nxpk= 0, iat= 231, 272, r1= 1.30, r2= 1.80, r3= 3.58, r4= 4.08, &end
#
# 14 LYS QD 21 GLU HG3 5.18
&rst
ixpk= 0, nxpk= 0, iat= -1, 286, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31,
igr1= 190, 191,
&end
#
# 18 PRO HA 21 GLU HG2 4.15
&rst
ixpk= 0, nxpk= 0, iat= 250, 285, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65, &end
#
# 21 GLU HA 21 GLU HG3 3.66
&rst
ixpk= 0, nxpk= 0, iat= 280, 286, r1= 1.30, r2= 1.80, r3= 3.66, r4= 4.16, &end
#
# 21 GLU HA 21 GLU HG2 3.47
&rst
ixpk= 0, nxpk= 0, iat= 280, 285, r1= 1.30, r2= 1.80, r3= 3.47, r4= 3.97, &end
#
# 14 LYS QD 21 GLU HG2 4.88
&rst
ixpk= 0, nxpk= 0, iat= -1, 285, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98,
igr1= 190, 191,
&end
#
# 25 PHE HB2 28 ARG HG3 4.18
&rst
ixpk= 0, nxpk= 0, iat= 342, 401, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68, &end
#
# 25 PHE H 25 PHE HB2 4.02
&rst
ixpk= 0, nxpk= 0, iat= 338, 342, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52, &end
#
# 25 PHE HB2 27 TRP HD1 4.54
&rst
ixpk= 0, nxpk= 0, iat= 342, 377, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04, &end
#
# 30 GLU HG3 37 PRO HA 4.52
&rst
ixpk= 0, nxpk= 0, iat= 439, 539, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02, &end
#
# 30 GLU H 30 GLU HG2 4.60
&rst
ixpk= 0, nxpk= 0, iat= 431, 438, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, &end
#
# 30 GLU HA 30 GLU HG3 4.19
&rst
ixpk= 0, nxpk= 0, iat= 433, 439, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69, &end
#
# 30 GLU HG2 37 PRO HA 4.72
&rst
ixpk= 0, nxpk= 0, iat= 438, 539, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, &end
#
# 30 GLU HG2 35 LYS HA 5.18
&rst
ixpk= 0, nxpk= 0, iat= 438, 499, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68, &end
#
# 30 GLU HG2 31 CYM H 5.49
&rst
ixpk= 0, nxpk= 0, iat= 438, 446, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99, &end
#
# 14 LYS HB2 14 LYS QE 4.39
&rst
ixpk= 0, nxpk= 0, iat= 184, -1, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43,
igr2= 193, 194,
&end
#
# 38 LYS HB2 39 PRO HD3 4.89
&rst
ixpk= 0, nxpk= 0, iat= 547, 567, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39, &end
#
# 38 LYS HB2 38 LYS QE 4.69
&rst
ixpk= 0, nxpk= 0, iat= 547, -1, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76,
igr2= 556, 557,
&end
#
# 29 ASN HA 38 LYS HB2 4.09
&rst
ixpk= 0, nxpk= 0, iat= 419, 547, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59, &end
#
# 37 PRO HA 38 LYS HB2 4.98
&rst
ixpk= 0, nxpk= 0, iat= 539, 547, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48, &end
#
# 13 TRP HH2 38 LYS HB3 4.76
&rst
ixpk= 0, nxpk= 0, iat= 171, 548, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26, &end
#
# 13 TRP HZ2 38 LYS HB3 4.30
&rst
ixpk= 0, nxpk= 0, iat= 169, 548, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 30 GLU HA 38 LYS HB3 5.21
&rst
ixpk= 0, nxpk= 0, iat= 433, 548, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71, &end
#
# 37 PRO HA 38 LYS HB3 5.09
&rst
ixpk= 0, nxpk= 0, iat= 539, 548, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59, &end
#
# 38 LYS HB3 39 PRO HD3 4.74
&rst
ixpk= 0, nxpk= 0, iat= 548, 567, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24, &end
#
# 38 LYS HB3 39 PRO HD2 4.34
&rst
ixpk= 0, nxpk= 0, iat= 548, 566, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84, &end
#
# 38 LYS HB3 38 LYS HG3 2.89
&rst
ixpk= 0, nxpk= 0, iat= 548, 551, r1= 1.30, r2= 1.80, r3= 2.89, r4= 3.39, &end
#
# 29 ASN HA 38 LYS HB3 3.92
&rst
ixpk= 0, nxpk= 0, iat= 419, 548, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42, &end
#
# 33 GLN H 33 GLN HG2 4.33
&rst
ixpk= 0, nxpk= 0, iat= 470, 477, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83, &end
#
# 22 ASN QD2 33 GLN HG2 4.55
&rst
ixpk= 0, nxpk= 0, iat= -1, 477, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61,
igr1= 302, 303,
&end
#
# 33 GLN HA 33 GLN HG2 4.20
&rst
ixpk= 0, nxpk= 0, iat= 472, 477, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 33 GLN HB2 33 GLN HG2 2.88
&rst
ixpk= 0, nxpk= 0, iat= 474, 477, r1= 1.30, r2= 1.80, r3= 2.88, r4= 3.38, &end
#
# 33 GLN HG2 34 CYM H 4.63
&rst
ixpk= 0, nxpk= 0, iat= 477, 487, r1= 1.30, r2= 1.80, r3= 4.63, r4= 5.13, &end
#
# 33 GLN HG3 34 CYM H 4.92
&rst
ixpk= 0, nxpk= 0, iat= 478, 487, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42, &end
#
# 33 GLN HA 33 GLN HG3 3.88
&rst
ixpk= 0, nxpk= 0, iat= 472, 478, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38, &end
#
# 22 ASN HB2 33 GLN HG3 4.35
&rst
ixpk= 0, nxpk= 0, iat= 297, 478, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85, &end
#
# 14 LYS HB3 14 LYS QE 4.43
&rst
ixpk= 0, nxpk= 0, iat= 185, -1, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47,
igr2= 193, 194,
&end
#
# 30 GLU HA 38 LYS HB2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 433, 547, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 38 LYS HB2 39 PRO HD2 4.95
&rst
ixpk= 0, nxpk= 0, iat= 547, 566, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45, &end
#
# 38 LYS HB3 39 PRO HG2 5.45
&rst
ixpk= 0, nxpk= 0, iat= 548, 569, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95, &end
#
# 15 CYM HB3 20 CYM HB3 3.98
&rst
ixpk= 0, nxpk= 0, iat= 206, 272, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48, &end
#
# 20 CYM HB3 36 ALA QB 4.89
&rst
ixpk= 0, nxpk= 0, iat= 272, -1, r1= 1.30, r2= 1.80, r3= 5.87, r4= 6.37,
igr2= 523, 524, 525,
&end
#
# 15 CYM HB2 22 ASN HB3 3.91
&rst
ixpk= 0, nxpk= 0, iat= 207, 298, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41, &end
#
# 17 ASN H 20 CYM HB2 4.93
&rst
ixpk= 0, nxpk= 0, iat= 226, 273, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43, &end
#
# 20 CYM HB2 22 ASN H 4.92
&rst
ixpk= 0, nxpk= 0, iat= 273, 293, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42, &end
#
# 17 ASN HD21 20 CYM HB2 3.44
&rst
ixpk= 0, nxpk= 0, iat= 236, 273, r1= 1.30, r2= 1.80, r3= 3.44, r4= 3.94, &end
#
# 20 CYM HB2 21 GLU H 3.47
&rst
ixpk= 0, nxpk= 0, iat= 273, 278, r1= 1.30, r2= 1.80, r3= 3.47, r4= 3.97, &end
#
# 20 CYM HA 20 CYM HB2 3.00
&rst
ixpk= 0, nxpk= 0, iat= 270, 273, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 17 ASN HB2 20 CYM HB2 3.29
&rst
ixpk= 0, nxpk= 0, iat= 230, 273, r1= 1.30, r2= 1.80, r3= 3.29, r4= 3.79, &end
#
# 18 PRO HB2 19 THR QG2 4.08
&rst
ixpk= 0, nxpk= 0, iat= 247, -1, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,
igr2= 260, 261, 262,
&end
#
# 30 GLU HB2 35 LYS HA 3.82
&rst
ixpk= 0, nxpk= 0, iat= 435, 499, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32, &end
#
# 30 GLU HB2 31 CYM HA 5.35
&rst
ixpk= 0, nxpk= 0, iat= 435, 448, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85, &end
#
# 30 GLU HB3 35 LYS HA 3.74
&rst
ixpk= 0, nxpk= 0, iat= 436, 499, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24, &end
#
# 20 CYM HB3 21 GLU HA 5.07
&rst
ixpk= 0, nxpk= 0, iat= 272, 280, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57, &end
#
# 15 CYM HB2 17 ASN H 4.94
&rst
ixpk= 0, nxpk= 0, iat= 207, 226, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44, &end
#
# 15 CYM H 15 CYM HB2 3.25
&rst
ixpk= 0, nxpk= 0, iat= 202, 207, r1= 1.30, r2= 1.80, r3= 3.25, r4= 3.75, &end
#
# 15 CYM HB2 22 ASN H 3.48
&rst
ixpk= 0, nxpk= 0, iat= 207, 293, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98, &end
#
# 15 CYM HB2 21 GLU H 4.61
&rst
ixpk= 0, nxpk= 0, iat= 207, 278, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11, &end
#
# 14 LYS HA 15 CYM HB2 4.98
&rst
ixpk= 0, nxpk= 0, iat= 182, 207, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48, &end
#
# 15 CYM HB2 36 ALA QB 4.78
&rst
ixpk= 0, nxpk= 0, iat= 207, -1, r1= 1.30, r2= 1.80, r3= 5.74, r4= 6.24,
igr2= 523, 524, 525,
&end
#
# 15 CYM HB2 24 ASN HD22 3.71
&rst
ixpk= 0, nxpk= 0, iat= 207, 333, r1= 1.30, r2= 1.80, r3= 3.71, r4= 4.21, &end
#
# 15 CYM HB2 24 ASN HD21 4.33
&rst
ixpk= 0, nxpk= 0, iat= 207, 334, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83, &end
#
# 15 CYM HB3 17 ASN H 4.85
&rst
ixpk= 0, nxpk= 0, iat= 206, 226, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35, &end
#
# 14 LYS HA 15 CYM HB3 4.92
&rst
ixpk= 0, nxpk= 0, iat= 182, 206, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42, &end
#
# 15 CYM HB3 24 ASN HD21 4.79
&rst
ixpk= 0, nxpk= 0, iat= 206, 334, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29, &end
#
# 15 CYM HB3 36 ALA QB 4.92
&rst
ixpk= 0, nxpk= 0, iat= 206, -1, r1= 1.30, r2= 1.80, r3= 5.91, r4= 6.41,
igr2= 523, 524, 525,
&end
#
# 15 CYM HB3 24 ASN HD22 4.11
&rst
ixpk= 0, nxpk= 0, iat= 206, 333, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61, &end
#
# 15 CYM HB3 22 ASN QD2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 206, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 302, 303,
&end
#
# 15 CYM HB3 21 GLU HA 3.47
&rst
ixpk= 0, nxpk= 0, iat= 206, 280, r1= 1.30, r2= 1.80, r3= 3.47, r4= 3.97, &end
#
# 15 CYM HB3 22 ASN HB3 3.73
&rst
ixpk= 0, nxpk= 0, iat= 206, 298, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23, &end
#
# 17 ASN HA 20 CYM HB2 5.14
&rst
ixpk= 0, nxpk= 0, iat= 228, 273, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64, &end
#
# 37 PRO HB3 38 LYS H 4.10
&rst
ixpk= 0, nxpk= 0, iat= 537, 543, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60, &end
#
# 30 GLU HA 37 PRO HB3 5.50
&rst
ixpk= 0, nxpk= 0, iat= 433, 537, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 36 ALA QB 37 PRO HB3 5.40
&rst
ixpk= 0, nxpk= 0, iat= -1, 537, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
igr1= 523, 524, 525,
&end
#
# 34 CYM HA 34 CYM HB2 2.92
&rst
ixpk= 0, nxpk= 0, iat= 489, 492, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42, &end
#
# 34 CYM HB2 35 LYS HB2 5.26
&rst
ixpk= 0, nxpk= 0, iat= 492, 501, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76, &end
#
# 17 ASN HD21 34 CYM HB3 4.05
&rst
ixpk= 0, nxpk= 0, iat= 236, 491, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55, &end
#
# 17 ASN HD22 34 CYM HB3 4.66
&rst
ixpk= 0, nxpk= 0, iat= 235, 491, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16, &end
#
# 34 CYM HA 34 CYM HB3 3.01
&rst
ixpk= 0, nxpk= 0, iat= 489, 491, r1= 1.30, r2= 1.80, r3= 3.01, r4= 3.51, &end
#
# 23 MET H 23 MET HG2 4.75
&rst
ixpk= 0, nxpk= 0, iat= 307, 314, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25, &end
#
# 23 MET H 23 MET HG3 4.75
&rst
ixpk= 0, nxpk= 0, iat= 307, 315, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25, &end
#
# 12 ASP HB2 13 TRP HB3 5.50
&rst
ixpk= 0, nxpk= 0, iat= 148, 161, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 13 TRP H 13 TRP HB3 3.67
&rst
ixpk= 0, nxpk= 0, iat= 156, 161, r1= 1.30, r2= 1.80, r3= 3.67, r4= 4.17, &end
#
# 13 TRP HB2 38 LYS QE 5.23
&rst
ixpk= 0, nxpk= 0, iat= 160, -1, r1= 1.30, r2= 1.80, r3= 5.87, r4= 6.37,
igr2= 556, 557,
&end
#
# 13 TRP HB2 38 LYS HG2 5.38
&rst
ixpk= 0, nxpk= 0, iat= 160, 550, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88, &end
#
# 13 TRP HB3 38 LYS QE 4.71
&rst
ixpk= 0, nxpk= 0, iat= 161, -1, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79,
igr2= 556, 557,
&end
#
# 13 TRP HB3 38 LYS HG2 5.23
&rst
ixpk= 0, nxpk= 0, iat= 161, 550, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73, &end
#
# 24 ASN HD21 31 CYM HB2 4.58
&rst
ixpk= 0, nxpk= 0, iat= 334, 451, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08, &end
#
# 33 GLN H 33 GLN HB3 3.98
&rst
ixpk= 0, nxpk= 0, iat= 470, 475, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48, &end
#
# 33 GLN HB3 33 GLN HE22 4.60
&rst
ixpk= 0, nxpk= 0, iat= 475, 482, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, &end
#
# 22 ASN QD2 33 GLN HB3 5.43
&rst
ixpk= 0, nxpk= 0, iat= -1, 475, r1= 1.30, r2= 1.80, r3= 6.09, r4= 6.59,
igr1= 302, 303,
&end
#
# 30 GLU HA 31 CYM HB3 5.25
&rst
ixpk= 0, nxpk= 0, iat= 433, 450, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75, &end
#
# 31 CYM HB3 36 ALA HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= 450, 521, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 31 CYM HB3 35 LYS HA 3.86
&rst
ixpk= 0, nxpk= 0, iat= 450, 499, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36, &end
#
# 31 CYM HB2 35 LYS H 3.75
&rst
ixpk= 0, nxpk= 0, iat= 451, 497, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25, &end
#
# 31 CYM HB2 35 LYS HA 4.37
&rst
ixpk= 0, nxpk= 0, iat= 451, 499, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87, &end
#
# 30 GLU HA 31 CYM HB2 4.61
&rst
ixpk= 0, nxpk= 0, iat= 433, 451, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11, &end
#
# 24 ASN HB3 28 ARG HB3 4.31
&rst
ixpk= 0, nxpk= 0, iat= 329, 398, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81, &end
#
# 27 TRP HE3 28 ARG HB3 5.35
&rst
ixpk= 0, nxpk= 0, iat= 388, 398, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85, &end
#
# 28 ARG HB3 30 GLU H 3.83
&rst
ixpk= 0, nxpk= 0, iat= 398, 431, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33, &end
#
# 14 LYS HA 23 MET QB 4.60
&rst
ixpk= 0, nxpk= 0, iat= 182, -1, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
igr2= 311, 312,
&end
#
# 28 ARG HB2 30 GLU H 5.09
&rst
ixpk= 0, nxpk= 0, iat= 397, 431, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59, &end
#
# 28 ARG HB2 28 ARG HD3 3.90
&rst
ixpk= 0, nxpk= 0, iat= 397, 404, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40, &end
#
# 28 ARG HB2 28 ARG HD2 3.91
&rst
ixpk= 0, nxpk= 0, iat= 397, 403, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41, &end
#
# 30 GLU HB3 35 LYS HB3 3.56
&rst
ixpk= 0, nxpk= 0, iat= 436, 502, r1= 1.30, r2= 1.80, r3= 3.56, r4= 4.06, &end
#
# 35 LYS HB3 35 LYS HD3 3.91
&rst
ixpk= 0, nxpk= 0, iat= 502, 508, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41, &end
#
# 29 ASN HA 38 LYS QD 4.15
&rst
ixpk= 0, nxpk= 0, iat= 419, -1, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,
igr2= 553, 554,
&end
#
# 38 LYS HA 38 LYS QD 5.50
&rst
ixpk= 0, nxpk= 0, iat= 545, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 553, 554,
&end
#
# 14 LYS HA 14 LYS QD 4.72
&rst
ixpk= 0, nxpk= 0, iat= 182, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr2= 190, 191,
&end
#
# 14 LYS QD 23 MET QE 4.75
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.40, r4= 6.90,
igr1= 190, 191,
igr2= 318, 319, 320,
&end
#
# 14 LYS HB3 14 LYS QD 3.01
&rst
ixpk= 0, nxpk= 0, iat= 185, -1, r1= 1.30, r2= 1.80, r3= 3.38, r4= 3.88,
igr2= 190, 191,
&end
#
# 14 LYS QD 15 CYM HB3 5.28
&rst
ixpk= 0, nxpk= 0, iat= -1, 206, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43,
igr1= 190, 191,
&end
#
# 13 TRP HE1 38 LYS QD 5.03
&rst
ixpk= 0, nxpk= 0, iat= 166, -1, r1= 1.30, r2= 1.80, r3= 5.65, r4= 6.15,
igr2= 553, 554,
&end
#
# 38 LYS H 38 LYS QD 5.41
&rst
ixpk= 0, nxpk= 0, iat= 543, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2= 553, 554,
&end
#
# 35 LYS HA 35 LYS HD2 5.00
&rst
ixpk= 0, nxpk= 0, iat= 499, 507, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 35 LYS HB3 35 LYS HD2 3.91
&rst
ixpk= 0, nxpk= 0, iat= 502, 507, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41, &end
#
# 35 LYS HA 35 LYS HD3 5.00
&rst
ixpk= 0, nxpk= 0, iat= 499, 508, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 28 ARG HA 28 ARG HG2 3.66
&rst
ixpk= 0, nxpk= 0, iat= 395, 400, r1= 1.30, r2= 1.80, r3= 3.66, r4= 4.16, &end
#
# 25 PHE HB3 28 ARG HG3 4.18
&rst
ixpk= 0, nxpk= 0, iat= 343, 401, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68, &end
#
# 14 LYS QE 21 GLU HB2 4.78
&rst
ixpk= 0, nxpk= 0, iat= -1, 282, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,
igr1= 193, 194,
&end
#
# 21 GLU HB3 22 ASN H 5.12
&rst
ixpk= 0, nxpk= 0, iat= 283, 293, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62, &end
#
# 17 ASN HA 18 PRO HG3 4.64
&rst
ixpk= 0, nxpk= 0, iat= 228, 245, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14, &end
#
# 29 ASN HB3 39 PRO HG3 5.28
&rst
ixpk= 0, nxpk= 0, iat= 422, 570, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78, &end
#
# 38 LYS H 39 PRO HG3 5.50
&rst
ixpk= 0, nxpk= 0, iat= 543, 570, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 37 PRO QG 38 LYS H 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 543, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 533, 534,
&end
#
# 29 ASN HB3 39 PRO HG2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 422, 569, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 18 PRO HG3 19 THR QG2 4.23
&rst
ixpk= 0, nxpk= 0, iat= 245, -1, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,
igr2= 260, 261, 262,
&end
#
# 18 PRO HG3 19 THR H 5.02
&rst
ixpk= 0, nxpk= 0, iat= 245, 254, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52, &end
#
# 18 PRO HG2 20 CYM H 5.39
&rst
ixpk= 0, nxpk= 0, iat= 244, 268, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89, &end
#
# 17 ASN HA 18 PRO HG2 4.56
&rst
ixpk= 0, nxpk= 0, iat= 228, 244, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06, &end
#
# 16 PRO HG3 37 PRO HD2 4.75
&rst
ixpk= 0, nxpk= 0, iat= 217, 530, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25, &end
#
# 16 PRO HG2 36 ALA QB 3.73
&rst
ixpk= 0, nxpk= 0, iat= 216, -1, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98,
igr2= 523, 524, 525,
&end
#
# 13 TRP HZ3 16 PRO HG3 5.17
&rst
ixpk= 0, nxpk= 0, iat= 173, 217, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67, &end
#
# 35 LYS H 35 LYS HG2 4.36
&rst
ixpk= 0, nxpk= 0, iat= 497, 504, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86, &end
#
# 35 LYS HA 35 LYS HG2 3.77
&rst
ixpk= 0, nxpk= 0, iat= 499, 504, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27, &end
#
# 35 LYS HA 35 LYS HG3 3.77
&rst
ixpk= 0, nxpk= 0, iat= 499, 505, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27, &end
#
# 14 LYS HG2 15 CYM HB3 5.40
&rst
ixpk= 0, nxpk= 0, iat= 187, 206, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, &end
#
# 14 LYS HG2 21 GLU HA 4.41
&rst
ixpk= 0, nxpk= 0, iat= 187, 280, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91, &end
#
# 14 LYS HA 14 LYS HG2 4.00
&rst
ixpk= 0, nxpk= 0, iat= 182, 187, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 14 LYS HG3 21 GLU HA 4.41
&rst
ixpk= 0, nxpk= 0, iat= 188, 280, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91, &end
#
# 14 LYS HG3 15 CYM HB3 5.40
&rst
ixpk= 0, nxpk= 0, iat= 188, 206, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, &end
#
# 14 LYS HA 14 LYS HG3 4.00
&rst
ixpk= 0, nxpk= 0, iat= 182, 188, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 38 LYS H 38 LYS HG3 4.72
&rst
ixpk= 0, nxpk= 0, iat= 543, 551, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, &end
#
# 13 TRP HB3 38 LYS HG3 3.87
&rst
ixpk= 0, nxpk= 0, iat= 161, 551, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37, &end
#
# 38 LYS HA 38 LYS HG3 3.83
&rst
ixpk= 0, nxpk= 0, iat= 545, 551, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33, &end
#
# 24 ASN HB2 38 LYS HG3 5.39
&rst
ixpk= 0, nxpk= 0, iat= 328, 551, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89, &end
#
# 13 TRP HH2 38 LYS HG3 5.50
&rst
ixpk= 0, nxpk= 0, iat= 171, 551, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 29 ASN HA 38 LYS HG3 5.26
&rst
ixpk= 0, nxpk= 0, iat= 419, 551, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76, &end
#
# 38 LYS HG2 39 PRO HD2 4.40
&rst
ixpk= 0, nxpk= 0, iat= 550, 566, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90, &end
#
# 38 LYS HA 38 LYS HG2 3.43
&rst
ixpk= 0, nxpk= 0, iat= 545, 550, r1= 1.30, r2= 1.80, r3= 3.43, r4= 3.93, &end
#
# 38 LYS HG2 39 PRO HG3 5.50
&rst
ixpk= 0, nxpk= 0, iat= 550, 570, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 13 TRP HE1 38 LYS HG2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 166, 550, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 38 LYS HG3 39 PRO HD3 4.54
&rst
ixpk= 0, nxpk= 0, iat= 551, 567, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04, &end
#
# 13 TRP HZ3 38 LYS HG2 5.25
&rst
ixpk= 0, nxpk= 0, iat= 173, 550, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75, &end
#
# 38 LYS HG2 39 PRO HD3 4.25
&rst
ixpk= 0, nxpk= 0, iat= 550, 567, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75, &end
#
# 38 LYS HG2 39 PRO HB3 5.50
&rst
ixpk= 0, nxpk= 0, iat= 550, 573, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 19 THR QG2 20 CYM H 4.41
&rst
ixpk= 0, nxpk= 0, iat= -1, 268, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 260, 261, 262,
&end
#
# 18 PRO HD2 19 THR QG2 4.56
&rst
ixpk= 0, nxpk= 0, iat= 241, -1, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98,
igr2= 260, 261, 262,
&end
#
# 35 LYS HA 36 ALA QB 4.94
&rst
ixpk= 0, nxpk= 0, iat= 499, -1, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43,
igr2= 523, 524, 525,
&end
#
# 16 PRO HB2 36 ALA QB 4.79
&rst
ixpk= 0, nxpk= 0, iat= 219, -1, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25,
igr2= 523, 524, 525,
&end
#
# 13 TRP HZ3 36 ALA QB 4.87
&rst
ixpk= 0, nxpk= 0, iat= 173, -1, r1= 1.30, r2= 1.80, r3= 5.85, r4= 6.35,
igr2= 523, 524, 525,
&end
#
# 13 TRP HH2 36 ALA QB 5.31
&rst
ixpk= 0, nxpk= 0, iat= 171, -1, r1= 1.30, r2= 1.80, r3= 6.38, r4= 6.88,
igr2= 523, 524, 525,
&end
#
# 16 PRO HD2 36 ALA QB 3.63
&rst
ixpk= 0, nxpk= 0, iat= 213, -1, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86,
igr2= 523, 524, 525,
&end
#
# 36 ALA QB 37 PRO HD2 3.02
&rst
ixpk= 0, nxpk= 0, iat= -1, 530, r1= 1.30, r2= 1.80, r3= 3.63, r4= 4.13,
igr1= 523, 524, 525,
&end
#
# 31 CYM HB3 36 ALA QB 3.49
&rst
ixpk= 0, nxpk= 0, iat= 450, -1, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69,
igr2= 523, 524, 525,
&end
#
# 31 CYM HB2 36 ALA QB 3.34
&rst
ixpk= 0, nxpk= 0, iat= 451, -1, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51,
igr2= 523, 524, 525,
&end
#
# 16 PRO HG3 36 ALA QB 3.53
&rst
ixpk= 0, nxpk= 0, iat= 217, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr2= 523, 524, 525,
&end
#
# 17 ASN HA 36 ALA QB 4.94
&rst
ixpk= 0, nxpk= 0, iat= 228, -1, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43,
igr2= 523, 524, 525,
&end
#
# 12 ASP HB2 23 MET QE 3.53
&rst
ixpk= 0, nxpk= 0, iat= 148, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr2= 318, 319, 320,
&end
#
# 12 ASP HB3 23 MET QE 3.37
&rst
ixpk= 0, nxpk= 0, iat= 149, -1, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55,
igr2= 318, 319, 320,
&end
#
# 23 MET QE 24 ASN HD21 5.27
&rst
ixpk= 0, nxpk= 0, iat= -1, 334, r1= 1.30, r2= 1.80, r3= 6.33, r4= 6.83,
igr1= 318, 319, 320,
&end
#
# 13 TRP H 23 MET QE 3.73
&rst
ixpk= 0, nxpk= 0, iat= 156, -1, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98,
igr2= 318, 319, 320,
&end
#
# 14 LYS H 23 MET QE 4.09
&rst
ixpk= 0, nxpk= 0, iat= 180, -1, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,
igr2= 318, 319, 320,
&end
#
# 13 TRP HA 23 MET QE 3.69
&rst
ixpk= 0, nxpk= 0, iat= 158, -1, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93,
igr2= 318, 319, 320,
&end
#
# 23 MET HA 23 MET QE 3.58
&rst
ixpk= 0, nxpk= 0, iat= 309, -1, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,
igr2= 318, 319, 320,
&end
#
# 14 LYS HA 23 MET QE 3.71
&rst
ixpk= 0, nxpk= 0, iat= 182, -1, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96,
igr2= 318, 319, 320,
&end
#
# 13 TRP HB3 23 MET QE 5.04
&rst
ixpk= 0, nxpk= 0, iat= 161, -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
igr2= 318, 319, 320,
&end
#
# 23 MET HG2 23 MET QE 3.22
&rst
ixpk= 0, nxpk= 0, iat= 314, -1, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37,
igr2= 318, 319, 320,
&end
#
# 23 MET HG3 23 MET QE 3.22
&rst
ixpk= 0, nxpk= 0, iat= 315, -1, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37,
igr2= 318, 319, 320,
&end
#
# 25 PHE QE 27 TRP HZ2 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 382, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 348, 352,
&end
#
# 25 PHE QD 27 TRP HZ2 3.58
&rst
ixpk= 0, nxpk= 0, iat= -1, 382, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52,
igr1= 346, 354,
&end
#
# 25 PHE QD 27 TRP HH2 5.39
&rst
ixpk= 0, nxpk= 0, iat= -1, 384, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
igr1= 346, 354,
&end
#
# 25 PHE HB2 27 TRP HZ2 5.20
&rst
ixpk= 0, nxpk= 0, iat= 342, 382, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70, &end
#
# 27 TRP HB3 27 TRP HD1 3.14
&rst
ixpk= 0, nxpk= 0, iat= 374, 377, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64, &end
#
# 13 TRP HZ2 24 ASN HB2 4.30
&rst
ixpk= 0, nxpk= 0, iat= 169, 328, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 27 TRP HZ3 28 ARG HG3 4.53
&rst
ixpk= 0, nxpk= 0, iat= 386, 401, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03, &end
#
# 13 TRP HE3 24 ASN HB2 4.89
&rst
ixpk= 0, nxpk= 0, iat= 175, 328, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39, &end
#
# 13 TRP HD1 24 ASN HB2 4.63
&rst
ixpk= 0, nxpk= 0, iat= 164, 328, r1= 1.30, r2= 1.80, r3= 4.63, r4= 5.13, &end
#
# 13 TRP HZ3 24 ASN HB2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 173, 328, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 13 TRP HH2 24 ASN HB2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 171, 328, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 13 TRP HE3 38 LYS HB3 5.50
&rst
ixpk= 0, nxpk= 0, iat= 175, 548, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 27 TRP HE3 28 ARG HG3 4.47
&rst
ixpk= 0, nxpk= 0, iat= 388, 401, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97, &end
#
# 13 TRP HZ3 38 LYS HB2 4.63
&rst
ixpk= 0, nxpk= 0, iat= 173, 547, r1= 1.30, r2= 1.80, r3= 4.63, r4= 5.13, &end
#
# 13 TRP HH2 38 LYS HB2 4.80
&rst
ixpk= 0, nxpk= 0, iat= 171, 547, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, &end
#
# 13 TRP HH2 24 ASN HB3 5.31
&rst
ixpk= 0, nxpk= 0, iat= 171, 329, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81, &end
#
# 13 TRP HH2 30 GLU HB3 4.65
&rst
ixpk= 0, nxpk= 0, iat= 171, 436, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15, &end
#
# 13 TRP HH2 28 ARG HB3 4.75
&rst
ixpk= 0, nxpk= 0, iat= 171, 398, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25, &end
#
# 13 TRP HH2 38 LYS QE 5.50
&rst
ixpk= 0, nxpk= 0, iat= 171, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 556, 557,
&end
#
# 13 TRP HZ3 38 LYS HA 3.41
&rst
ixpk= 0, nxpk= 0, iat= 173, 545, r1= 1.30, r2= 1.80, r3= 3.41, r4= 3.91, &end
#
# 13 TRP HH2 31 CYM HB2 3.28
&rst
ixpk= 0, nxpk= 0, iat= 171, 451, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78, &end
#
# 13 TRP HE3 38 LYS HG3 4.47
&rst
ixpk= 0, nxpk= 0, iat= 175, 551, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97, &end
#
# 13 TRP HD1 38 LYS HG3 5.01
&rst
ixpk= 0, nxpk= 0, iat= 164, 551, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51, &end
#
# 13 TRP HD1 38 LYS QD 4.65
&rst
ixpk= 0, nxpk= 0, iat= 164, -1, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
igr2= 553, 554,
&end
#
# 27 TRP HE3 28 ARG HG2 3.70
&rst
ixpk= 0, nxpk= 0, iat= 388, 400, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20, &end
#
# 27 TRP HZ3 28 ARG HG2 3.61
&rst
ixpk= 0, nxpk= 0, iat= 386, 400, r1= 1.30, r2= 1.80, r3= 3.61, r4= 4.11, &end
#
# 27 TRP HH2 28 ARG HG2 5.18
&rst
ixpk= 0, nxpk= 0, iat= 384, 400, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68, &end
#
# 13 TRP HE3 24 ASN HB3 5.38
&rst
ixpk= 0, nxpk= 0, iat= 175, 329, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88, &end
#
# 13 TRP HD1 24 ASN HB3 5.20
&rst
ixpk= 0, nxpk= 0, iat= 164, 329, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70, &end
#
# 13 TRP HZ2 24 ASN HB3 3.86
&rst
ixpk= 0, nxpk= 0, iat= 169, 329, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36, &end
#
# 13 TRP HZ2 38 LYS HG3 4.42
&rst
ixpk= 0, nxpk= 0, iat= 169, 551, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92, &end
#
# 13 TRP HZ2 38 LYS HB2 3.60
&rst
ixpk= 0, nxpk= 0, iat= 169, 547, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10, &end
#
# 25 PHE HB3 27 TRP HD1 4.54
&rst
ixpk= 0, nxpk= 0, iat= 343, 377, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04, &end
#
# 25 PHE HB3 27 TRP HZ2 5.20
&rst
ixpk= 0, nxpk= 0, iat= 343, 382, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70, &end
#
# 13 TRP HZ2 30 GLU HB3 5.50
&rst
ixpk= 0, nxpk= 0, iat= 169, 436, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 13 TRP HZ2 28 ARG HB2 3.93
&rst
ixpk= 0, nxpk= 0, iat= 169, 397, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, &end
#
# 13 TRP HZ2 28 ARG HB3 3.31
&rst
ixpk= 0, nxpk= 0, iat= 169, 398, r1= 1.30, r2= 1.80, r3= 3.31, r4= 3.81, &end
#
# 13 TRP HD1 38 LYS QE 3.55
&rst
ixpk= 0, nxpk= 0, iat= 164, -1, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48,
igr2= 556, 557,
&end
#
# 13 TRP HE3 38 LYS QE 5.50
&rst
ixpk= 0, nxpk= 0, iat= 175, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 556, 557,
&end
#
# 13 TRP HZ2 38 LYS QE 4.30
&rst
ixpk= 0, nxpk= 0, iat= 169, -1, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
igr2= 556, 557,
&end
#
# 13 TRP HZ2 31 CYM HB2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 169, 451, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 27 TRP HE3 28 ARG HB2 5.07
&rst
ixpk= 0, nxpk= 0, iat= 388, 397, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57, &end
#
# 27 TRP HZ3 28 ARG HB3 5.50
&rst
ixpk= 0, nxpk= 0, iat= 386, 398, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 13 TRP HB3 13 TRP HD1 3.16
&rst
ixpk= 0, nxpk= 0, iat= 161, 164, r1= 1.30, r2= 1.80, r3= 3.16, r4= 3.66, &end
#
# 13 TRP HE3 38 LYS HA 3.99
&rst
ixpk= 0, nxpk= 0, iat= 175, 545, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49, &end
#
# 13 TRP HE3 38 LYS HG2 4.27
&rst
ixpk= 0, nxpk= 0, iat= 175, 550, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77, &end
#
# 13 TRP HD1 38 LYS HG2 5.33
&rst
ixpk= 0, nxpk= 0, iat= 164, 550, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83, &end
#
# 25 PHE QD 28 ARG HG3 5.17
&rst
ixpk= 0, nxpk= 0, iat= -1, 401, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
igr1= 346, 354,
&end
#
# 27 TRP HA 27 TRP HD1 4.51
&rst
ixpk= 0, nxpk= 0, iat= 371, 377, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01, &end
#
# 13 TRP HZ2 31 CYM HA 4.01
&rst
ixpk= 0, nxpk= 0, iat= 169, 448, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51, &end
#
# 13 TRP HH2 29 ASN HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= 171, 419, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 13 TRP HA 13 TRP HE3 4.56
&rst
ixpk= 0, nxpk= 0, iat= 158, 175, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06, &end
#
# 13 TRP HA 13 TRP HD1 4.49
&rst
ixpk= 0, nxpk= 0, iat= 158, 164, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99, &end
#
# 13 TRP HH2 30 GLU HA 2.83
&rst
ixpk= 0, nxpk= 0, iat= 171, 433, r1= 1.30, r2= 1.80, r3= 2.83, r4= 3.33, &end
#
# 13 TRP HZ2 30 GLU HA 3.44
&rst
ixpk= 0, nxpk= 0, iat= 169, 433, r1= 1.30, r2= 1.80, r3= 3.44, r4= 3.94, &end
#
# 13 TRP HZ3 16 PRO HD3 2.86
&rst
ixpk= 0, nxpk= 0, iat= 173, 214, r1= 1.30, r2= 1.80, r3= 2.86, r4= 3.36, &end
#
# 27 TRP HB2 27 TRP HE3 3.10
&rst
ixpk= 0, nxpk= 0, iat= 373, 388, r1= 1.30, r2= 1.80, r3= 3.10, r4= 3.60, &end
#
# 27 TRP HB2 27 TRP HZ3 4.98
&rst
ixpk= 0, nxpk= 0, iat= 373, 386, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48, &end
#
# 13 TRP HE3 16 PRO HD3 3.33
&rst
ixpk= 0, nxpk= 0, iat= 175, 214, r1= 1.30, r2= 1.80, r3= 3.33, r4= 3.83, &end
#
# 13 TRP HH2 31 CYM HA 3.32
&rst
ixpk= 0, nxpk= 0, iat= 171, 448, r1= 1.30, r2= 1.80, r3= 3.32, r4= 3.82, &end
#
# 13 TRP HZ2 29 ASN HA 3.83
&rst
ixpk= 0, nxpk= 0, iat= 169, 419, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33, &end
#
# 27 TRP HZ3 28 ARG HA 4.00
&rst
ixpk= 0, nxpk= 0, iat= 386, 395, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 13 TRP HZ3 38 LYS HG3 4.66
&rst
ixpk= 0, nxpk= 0, iat= 173, 551, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16, &end
#
# 8 GLN QB 8 GLN QE2 4.68
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,
igr1= 90, 91,
igr2= 98, 99,
&end
#
# 9 ARG QB 9 ARG QG 2.32
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42,
igr1= 107, 108,
igr2= 110, 111,
&end
#
# 9 ARG QB 9 ARG QD 3.24
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58,
igr1= 107, 108,
igr2= 113, 114,
&end
#
# 11 GLY QA 12 ASP H 3.04
&rst
ixpk= 0, nxpk= 0, iat= -1, 144, r1= 1.30, r2= 1.80, r3= 3.41, r4= 3.91,
igr1= 139, 140,
&end
#
# 11 GLY QA 26 SER QB 2.94
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
igr1= 139, 140,
igr2= 362, 363,
&end
#
# 12 ASP H 26 SER QB 3.27
&rst
ixpk= 0, nxpk= 0, iat= 144, -1, r1= 1.30, r2= 1.80, r3= 3.67, r4= 4.17,
igr2= 362, 363,
&end
#
# 12 ASP HB2 23 MET QG 5.34
&rst
ixpk= 0, nxpk= 0, iat= 148, -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr2= 314, 315,
&end
#
# 12 ASP HB3 23 MET QG 3.54
&rst
ixpk= 0, nxpk= 0, iat= 149, -1, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47,
igr2= 314, 315,
&end
#
# 13 TRP HD1 26 SER QB 4.69
&rst
ixpk= 0, nxpk= 0, iat= 164, -1, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76,
igr2= 362, 363,
&end
#
# 14 LYS HA 14 LYS QG 3.39
&rst
ixpk= 0, nxpk= 0, iat= 182, -1, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31,
igr2= 187, 188,
&end
#
# 14 LYS HA 23 MET QG 4.58
&rst
ixpk= 0, nxpk= 0, iat= 182, -1, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
igr2= 314, 315,
&end
#
# 14 LYS HB2 23 MET QG 4.66
&rst
ixpk= 0, nxpk= 0, iat= 184, -1, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73,
igr2= 314, 315,
&end
#
# 14 LYS QG 15 CYM HB2 5.34
&rst
ixpk= 0, nxpk= 0, iat= -1, 207, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr1= 187, 188,
&end
#
# 14 LYS QG 21 GLU HA 3.70
&rst
ixpk= 0, nxpk= 0, iat= -1, 280, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65,
igr1= 187, 188,
&end
#
# 14 LYS QG 21 GLU HB3 4.74
&rst
ixpk= 0, nxpk= 0, iat= -1, 283, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82,
igr1= 187, 188,
&end
#
# 14 LYS QG 21 GLU HG2 4.89
&rst
ixpk= 0, nxpk= 0, iat= -1, 285, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99,
igr1= 187, 188,
&end
#
# 14 LYS QG 23 MET QE 3.81
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
igr1= 187, 188,
igr2= 318, 319, 320,
&end
#
# 23 MET H 23 MET QG 4.17
&rst
ixpk= 0, nxpk= 0, iat= 307, -1, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,
igr2= 314, 315,
&end
#
# 23 MET QG 23 MET QE 2.78
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25,
igr1= 314, 315,
igr2= 318, 319, 320,
&end
#
# 23 MET QG 24 ASN H 4.25
&rst
ixpk= 0, nxpk= 0, iat= -1, 324, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,
igr1= 314, 315,
&end
#
# 25 PHE H 25 PHE QB 3.40
&rst
ixpk= 0, nxpk= 0, iat= 338, -1, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32,
igr2= 342, 343,
&end
#
# 25 PHE QB 26 SER H 3.60
&rst
ixpk= 0, nxpk= 0, iat= -1, 358, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1= 342, 343,
&end
#
# 25 PHE QB 26 SER QB 5.07
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.39, r4= 6.89,
igr1= 342, 343,
igr2= 362, 363,
&end
#
# 25 PHE QB 27 TRP HD1 3.75
&rst
ixpk= 0, nxpk= 0, iat= -1, 377, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71,
igr1= 342, 343,
&end
#
# 25 PHE QB 27 TRP HE1 3.71
&rst
ixpk= 0, nxpk= 0, iat= -1, 379, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66,
igr1= 342, 343,
&end
#
# 25 PHE QB 27 TRP HZ2 4.51
&rst
ixpk= 0, nxpk= 0, iat= -1, 382, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,
igr1= 342, 343,
&end
#
# 25 PHE QB 28 ARG H 3.80
&rst
ixpk= 0, nxpk= 0, iat= -1, 393, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,
igr1= 342, 343,
&end
#
# 25 PHE QB 28 ARG HG2 5.34
&rst
ixpk= 0, nxpk= 0, iat= -1, 400, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr1= 342, 343,
&end
#
# 25 PHE QB 28 ARG HG3 3.66
&rst
ixpk= 0, nxpk= 0, iat= -1, 401, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,
igr1= 342, 343,
&end
#
# 25 PHE QB 28 ARG HD2 5.34
&rst
ixpk= 0, nxpk= 0, iat= -1, 403, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr1= 342, 343,
&end
#
# 25 PHE QB 28 ARG HD3 5.26
&rst
ixpk= 0, nxpk= 0, iat= -1, 404, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,
igr1= 342, 343,
&end
#
# 26 SER H 26 SER QB 2.87
&rst
ixpk= 0, nxpk= 0, iat= 358, -1, r1= 1.30, r2= 1.80, r3= 3.22, r4= 3.72,
igr2= 362, 363,
&end
#
# 26 SER QB 27 TRP HB3 4.73
&rst
ixpk= 0, nxpk= 0, iat= -1, 374, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,
igr1= 362, 363,
&end
#
# 26 SER QB 27 TRP HD1 4.91
&rst
ixpk= 0, nxpk= 0, iat= -1, 377, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01,
igr1= 362, 363,
&end
#
# 29 ASN HB2 29 ASN QD2 3.47
&rst
ixpk= 0, nxpk= 0, iat= 421, -1, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39,
igr2= 426, 427,
&end
#
# 29 ASN HB3 29 ASN QD2 3.12
&rst
ixpk= 0, nxpk= 0, iat= 422, -1, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,
igr2= 426, 427,
&end
#
# 34 CYM H 35 LYS QG 4.21
&rst
ixpk= 0, nxpk= 0, iat= 487, -1, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,
igr2= 504, 505,
&end
#
# 34 CYM HA 35 LYS QG 4.70
&rst
ixpk= 0, nxpk= 0, iat= 489, -1, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
igr2= 504, 505,
&end
#
# 35 LYS H 35 LYS QG 3.53
&rst
ixpk= 0, nxpk= 0, iat= 497, -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
igr2= 504, 505,
&end
#
# 35 LYS H 35 LYS QD 5.29
&rst
ixpk= 0, nxpk= 0, iat= 497, -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr2= 507, 508,
&end
#
# 35 LYS HA 35 LYS QD 4.23
&rst
ixpk= 0, nxpk= 0, iat= 499, -1, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25,
igr2= 507, 508,
&end
#
# 35 LYS HB2 35 LYS QD 3.56
&rst
ixpk= 0, nxpk= 0, iat= 501, -1, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
igr2= 507, 508,
&end
#
# 39 PRO HA 40 ASP QB 5.34
&rst
ixpk= 0, nxpk= 0, iat= 575, -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr2= 583, 584,
&end
#
# 39 PRO HB2 40 ASP QB 4.50
&rst
ixpk= 0, nxpk= 0, iat= 572, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 583, 584,
&end
#
# 40 ASP H 40 ASP QB 3.05
&rst
ixpk= 0, nxpk= 0, iat= 579, -1, r1= 1.30, r2= 1.80, r3= 3.42, r4= 3.92,
igr2= 583, 584,
&end
#
# 40 ASP QB 41 GLY H 3.97
&rst
ixpk= 0, nxpk= 0, iat= -1, 591, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96,
igr1= 583, 584,
&end
#
# 40 ASP QB 41 GLY QA 4.03
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,
igr1= 583, 584,
igr2= 593, 594,
&end
#
# 9 ARG H 12 ASP HB2 4.00
&rst
ixpk= 0, nxpk= 0, iat= 103, 148, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 9 ARG H 12 ASP HB3 4.00
&rst
ixpk= 0, nxpk= 0, iat= 103, 149, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 9 ARG HB2 12 ASP H 5.00
&rst
ixpk= 0, nxpk= 0, iat= 107, 144, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 9 ARG HB3 12 ASP H 5.00
&rst
ixpk= 0, nxpk= 0, iat= 108, 144, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
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