Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type | subtype | subsubtype |
|
|
535306 | 2lo7 RC | 17987 | cing | 1-original | 1 | AMBER | distance | NOE | simple |
#
# 26 CYX HA 27 LYS HN 3.50
&rst
ixpk= 0, nxpk= 0, iat= 368, 376, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,
rk2=20.0, rk3=20.0, ir6=1, ialtd=0,
&end
#
# 26 CYX HN 27 LYS HN 3.55
&rst
ixpk= 0, nxpk= 0, iat= 366, 376, r1= 1.30, r2= 1.80, r3= 3.55, r4= 4.05, &end
#
# 27 LYS HN 27 LYS QD 4.32
&rst
ixpk= 0, nxpk= 0, iat= 376, -1, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
igr2= 386, 387,
&end
#
# 27 LYS HN 27 LYS QG 3.96
&rst
ixpk= 0, nxpk= 0, iat= 376, -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
igr2= 383, 384,
&end
#
# 24 LYS HB3 25 HIS HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= 332, 351, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 27 LYS HA 27 LYS QD 5.50
&rst
ixpk= 0, nxpk= 0, iat= 378, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 386, 387,
&end
#
# 4 CYX HB2 27 LYS HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= 33, 376, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 27 LYS HN 27 LYS QE 5.50
&rst
ixpk= 0, nxpk= 0, iat= 376, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 389, 390,
&end
#
# 27 LYS HA 28 CYX HN 2.95
&rst
ixpk= 0, nxpk= 0, iat= 378, 398, r1= 1.30, r2= 1.80, r3= 2.95, r4= 3.45, &end
#
# 27 LYS HN 28 CYX HN 4.50
&rst
ixpk= 0, nxpk= 0, iat= 376, 398, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 27 LYS HB3 28 CYX HN 3.74
&rst
ixpk= 0, nxpk= 0, iat= 381, 398, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24, &end
#
# 27 LYS HB2 28 CYX HN 3.74
&rst
ixpk= 0, nxpk= 0, iat= 380, 398, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24, &end
#
# 27 LYS QD 28 CYX HN 5.10
&rst
ixpk= 0, nxpk= 0, iat= -1, 398, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,
igr1= 386, 387,
&end
#
# 28 CYX HN 28 CYX HB3 3.69
&rst
ixpk= 0, nxpk= 0, iat= 398, 403, r1= 1.30, r2= 1.80, r3= 3.69, r4= 4.19, &end
#
# 28 CYX HN 28 CYX HB2 3.28
&rst
ixpk= 0, nxpk= 0, iat= 398, 402, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78, &end
#
# 28 CYX HN 29 ILE HN 4.80
&rst
ixpk= 0, nxpk= 0, iat= 398, 408, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, &end
#
# 28 CYX HB2 29 ILE HN 4.38
&rst
ixpk= 0, nxpk= 0, iat= 402, 408, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88, &end
#
# 28 CYX HB3 29 ILE HN 3.34
&rst
ixpk= 0, nxpk= 0, iat= 403, 408, r1= 1.30, r2= 1.80, r3= 3.34, r4= 3.84, &end
#
# 28 CYX HA 29 ILE HN 3.21
&rst
ixpk= 0, nxpk= 0, iat= 400, 408, r1= 1.30, r2= 1.80, r3= 3.21, r4= 3.71, &end
#
# 21 TYR HB2 29 ILE HN 5.00
&rst
ixpk= 0, nxpk= 0, iat= 281, 408, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 29 ILE HN 29 ILE HB 3.51
&rst
ixpk= 0, nxpk= 0, iat= 408, 412, r1= 1.30, r2= 1.80, r3= 3.51, r4= 4.01, &end
#
# 29 ILE HN 29 ILE QG1 4.26
&rst
ixpk= 0, nxpk= 0, iat= 408, -1, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28,
igr2= 418, 419,
&end
#
# 29 ILE HN 29 ILE QG2 3.60
&rst
ixpk= 0, nxpk= 0, iat= 408, -1, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82,
igr2= 414, 415, 416,
&end
#
# 29 ILE HA 29 ILE QG1 3.89
&rst
ixpk= 0, nxpk= 0, iat= 410, -1, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87,
igr2= 418, 419,
&end
#
# 29 ILE HA 29 ILE QG2 3.71
&rst
ixpk= 0, nxpk= 0, iat= 410, -1, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96,
igr2= 414, 415, 416,
&end
#
# 29 ILE QG2 29 ILE QD1 2.43
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,
igr1= 414, 415, 416,
igr2= 421, 422, 423,
&end
#
# 29 ILE QG2 29 ILE QG1 2.87
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37,
igr1= 414, 415, 416,
igr2= 418, 419,
&end
#
# 29 ILE HA 29 ILE QD1 4.16
&rst
ixpk= 0, nxpk= 0, iat= 410, -1, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
igr2= 421, 422, 423,
&end
#
# 29 ILE HN 29 ILE QD1 4.50
&rst
ixpk= 0, nxpk= 0, iat= 408, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 421, 422, 423,
&end
#
# 29 ILE HB 29 ILE QD1 3.41
&rst
ixpk= 0, nxpk= 0, iat= 412, -1, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,
igr2= 421, 422, 423,
&end
#
# 25 HIS HN 25 HIS HB3 3.82
&rst
ixpk= 0, nxpk= 0, iat= 349, 354, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32, &end
#
# 25 HIS HN 25 HIS HB2 3.82
&rst
ixpk= 0, nxpk= 0, iat= 349, 353, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32, &end
#
# 25 HIS HN 26 CYX HN 3.18
&rst
ixpk= 0, nxpk= 0, iat= 349, 366, r1= 1.30, r2= 1.80, r3= 3.18, r4= 3.68, &end
#
# 25 HIS HB3 26 CYX HN 4.62
&rst
ixpk= 0, nxpk= 0, iat= 354, 366, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12, &end
#
# 25 HIS HB2 26 CYX HN 4.62
&rst
ixpk= 0, nxpk= 0, iat= 353, 366, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12, &end
#
# 25 HIS HA 25 HIS HD2 5.14
&rst
ixpk= 0, nxpk= 0, iat= 351, 362, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64, &end
#
# 25 HIS HN 25 HIS HD2 4.12
&rst
ixpk= 0, nxpk= 0, iat= 349, 362, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62, &end
#
# 24 LYS HN 24 LYS QE 5.50
&rst
ixpk= 0, nxpk= 0, iat= 327, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 340, 341,
&end
#
# 24 LYS HN 24 LYS HB3 4.12
&rst
ixpk= 0, nxpk= 0, iat= 327, 332, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62, &end
#
# 24 LYS HN 24 LYS HB2 3.47
&rst
ixpk= 0, nxpk= 0, iat= 327, 331, r1= 1.30, r2= 1.80, r3= 3.47, r4= 3.97, &end
#
# 24 LYS HN 24 LYS HG3 4.16
&rst
ixpk= 0, nxpk= 0, iat= 327, 335, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66, &end
#
# 24 LYS HN 24 LYS QD 4.71
&rst
ixpk= 0, nxpk= 0, iat= 327, -1, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79,
igr2= 337, 338,
&end
#
# 24 LYS HN 24 LYS HG2 4.16
&rst
ixpk= 0, nxpk= 0, iat= 327, 334, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66, &end
#
# 24 LYS HA 24 LYS HG3 4.06
&rst
ixpk= 0, nxpk= 0, iat= 329, 335, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56, &end
#
# 24 LYS HA 24 LYS HG2 4.06
&rst
ixpk= 0, nxpk= 0, iat= 329, 334, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56, &end
#
# 24 LYS HA 24 LYS QD 4.03
&rst
ixpk= 0, nxpk= 0, iat= 329, -1, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02,
igr2= 337, 338,
&end
#
# 24 LYS HB3 24 LYS QE 4.13
&rst
ixpk= 0, nxpk= 0, iat= 332, -1, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,
igr2= 340, 341,
&end
#
# 24 LYS HB2 24 LYS QD 3.43
&rst
ixpk= 0, nxpk= 0, iat= 331, -1, r1= 1.30, r2= 1.80, r3= 3.85, r4= 4.35,
igr2= 337, 338,
&end
#
# 24 LYS HB3 24 LYS QD 3.42
&rst
ixpk= 0, nxpk= 0, iat= 332, -1, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34,
igr2= 337, 338,
&end
#
# 23 LEU HN 23 LEU HB2 3.04
&rst
ixpk= 0, nxpk= 0, iat= 308, 312, r1= 1.30, r2= 1.80, r3= 3.04, r4= 3.54, &end
#
# 23 LEU HN 23 LEU HB3 3.58
&rst
ixpk= 0, nxpk= 0, iat= 308, 313, r1= 1.30, r2= 1.80, r3= 3.58, r4= 4.08, &end
#
# 23 LEU HN 23 LEU QD2 4.20
&rst
ixpk= 0, nxpk= 0, iat= 308, -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr2= 321, 322, 323,
&end
#
# 23 LEU HN 23 LEU QD1 4.13
&rst
ixpk= 0, nxpk= 0, iat= 308, -1, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,
igr2= 317, 318, 319,
&end
#
# 23 LEU HN 23 LEU HG 4.65
&rst
ixpk= 0, nxpk= 0, iat= 308, 315, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15, &end
#
# 3 GLY HA3 23 LEU HG 4.47
&rst
ixpk= 0, nxpk= 0, iat= 25, 315, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97, &end
#
# 23 LEU HB3 23 LEU QD2 3.26
&rst
ixpk= 0, nxpk= 0, iat= 313, -1, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42,
igr2= 321, 322, 323,
&end
#
# 23 LEU HB2 23 LEU QD2 3.19
&rst
ixpk= 0, nxpk= 0, iat= 312, -1, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33,
igr2= 321, 322, 323,
&end
#
# 3 GLY HA3 23 LEU QD2 4.84
&rst
ixpk= 0, nxpk= 0, iat= 25, -1, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31,
igr2= 321, 322, 323,
&end
#
# 23 LEU HA 23 LEU QD2 5.17
&rst
ixpk= 0, nxpk= 0, iat= 310, -1, r1= 1.30, r2= 1.80, r3= 6.21, r4= 6.71,
igr2= 321, 322, 323,
&end
#
# 23 LEU HA 23 LEU QD1 3.19
&rst
ixpk= 0, nxpk= 0, iat= 310, -1, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33,
igr2= 317, 318, 319,
&end
#
# 23 LEU HB2 23 LEU QD1 3.48
&rst
ixpk= 0, nxpk= 0, iat= 312, -1, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68,
igr2= 317, 318, 319,
&end
#
# 23 LEU HB3 24 LYS HN 3.90
&rst
ixpk= 0, nxpk= 0, iat= 313, 327, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40, &end
#
# 23 LEU HN 24 LYS HN 3.08
&rst
ixpk= 0, nxpk= 0, iat= 308, 327, r1= 1.30, r2= 1.80, r3= 3.08, r4= 3.58, &end
#
# 22 CYX HN 22 CYX HB3 3.70
&rst
ixpk= 0, nxpk= 0, iat= 298, 303, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20, &end
#
# 22 CYX HN 23 LEU HN 3.46
&rst
ixpk= 0, nxpk= 0, iat= 298, 308, r1= 1.30, r2= 1.80, r3= 3.46, r4= 3.96, &end
#
# 22 CYX HN 23 LEU HB2 4.26
&rst
ixpk= 0, nxpk= 0, iat= 298, 312, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76, &end
#
# 22 CYX HN 22 CYX HB2 3.70
&rst
ixpk= 0, nxpk= 0, iat= 298, 302, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20, &end
#
# 21 TYR HN 22 CYX HN 3.30
&rst
ixpk= 0, nxpk= 0, iat= 277, 298, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 21 TYR HB3 22 CYX HN 3.98
&rst
ixpk= 0, nxpk= 0, iat= 282, 298, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48, &end
#
# 21 TYR HB2 22 CYX HN 3.98
&rst
ixpk= 0, nxpk= 0, iat= 281, 298, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48, &end
#
# 21 TYR HN 21 TYR HB2 3.29
&rst
ixpk= 0, nxpk= 0, iat= 277, 281, r1= 1.30, r2= 1.80, r3= 3.29, r4= 3.79, &end
#
# 21 TYR HN 21 TYR HB3 3.29
&rst
ixpk= 0, nxpk= 0, iat= 277, 282, r1= 1.30, r2= 1.80, r3= 3.29, r4= 3.79, &end
#
# 20 ASP HN 20 ASP HB3 3.70
&rst
ixpk= 0, nxpk= 0, iat= 265, 270, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20, &end
#
# 20 ASP HN 20 ASP HB2 3.70
&rst
ixpk= 0, nxpk= 0, iat= 265, 269, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20, &end
#
# 20 ASP HN 21 TYR HN 3.46
&rst
ixpk= 0, nxpk= 0, iat= 265, 277, r1= 1.30, r2= 1.80, r3= 3.46, r4= 3.96, &end
#
# 19 GLN HN 19 GLN HB2 3.23
&rst
ixpk= 0, nxpk= 0, iat= 248, 252, r1= 1.30, r2= 1.80, r3= 3.23, r4= 3.73, &end
#
# 19 GLN HA 19 GLN HG3 3.60
&rst
ixpk= 0, nxpk= 0, iat= 250, 256, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10, &end
#
# 19 GLN HA 19 GLN HG2 3.60
&rst
ixpk= 0, nxpk= 0, iat= 250, 255, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10, &end
#
# 19 GLN HN 19 GLN HG3 3.95
&rst
ixpk= 0, nxpk= 0, iat= 248, 256, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45, &end
#
# 19 GLN HN 19 GLN HG2 3.95
&rst
ixpk= 0, nxpk= 0, iat= 248, 255, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45, &end
#
# 19 GLN HN 19 GLN HB3 3.70
&rst
ixpk= 0, nxpk= 0, iat= 248, 253, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20, &end
#
# 19 GLN HG3 20 ASP HN 5.48
&rst
ixpk= 0, nxpk= 0, iat= 256, 265, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98, &end
#
# 19 GLN HG2 20 ASP HN 5.48
&rst
ixpk= 0, nxpk= 0, iat= 255, 265, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98, &end
#
# 19 GLN HB2 20 ASP HN 3.59
&rst
ixpk= 0, nxpk= 0, iat= 252, 265, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09, &end
#
# 19 GLN HB3 20 ASP HN 3.85
&rst
ixpk= 0, nxpk= 0, iat= 253, 265, r1= 1.30, r2= 1.80, r3= 3.85, r4= 4.35, &end
#
# 19 GLN HN 20 ASP HN 3.42
&rst
ixpk= 0, nxpk= 0, iat= 248, 265, r1= 1.30, r2= 1.80, r3= 3.42, r4= 3.92, &end
#
# 18 SER HN 18 SER HB3 3.30
&rst
ixpk= 0, nxpk= 0, iat= 237, 242, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 18 SER HN 18 SER HB2 3.30
&rst
ixpk= 0, nxpk= 0, iat= 237, 241, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 18 SER HB2 19 GLN HN 3.86
&rst
ixpk= 0, nxpk= 0, iat= 241, 248, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36, &end
#
# 18 SER HB3 19 GLN HN 3.86
&rst
ixpk= 0, nxpk= 0, iat= 242, 248, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36, &end
#
# 18 SER HN 19 GLN HN 3.04
&rst
ixpk= 0, nxpk= 0, iat= 237, 248, r1= 1.30, r2= 1.80, r3= 3.04, r4= 3.54, &end
#
# 17 VAL HB 18 SER HN 4.19
&rst
ixpk= 0, nxpk= 0, iat= 225, 237, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69, &end
#
# 17 VAL HN 18 SER HN 3.32
&rst
ixpk= 0, nxpk= 0, iat= 221, 237, r1= 1.30, r2= 1.80, r3= 3.32, r4= 3.82, &end
#
# 17 VAL HN 17 VAL HB 3.12
&rst
ixpk= 0, nxpk= 0, iat= 221, 225, r1= 1.30, r2= 1.80, r3= 3.12, r4= 3.62, &end
#
# 17 VAL HN 17 VAL QG1 4.16
&rst
ixpk= 0, nxpk= 0, iat= 221, -1, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
igr2= 227, 228, 229,
&end
#
# 17 VAL HA 17 VAL QG2 3.44
&rst
ixpk= 0, nxpk= 0, iat= 223, -1, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63,
igr2= 231, 232, 233,
&end
#
# 17 VAL HA 17 VAL QG1 3.44
&rst
ixpk= 0, nxpk= 0, iat= 223, -1, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63,
igr2= 227, 228, 229,
&end
#
# 17 VAL HN 17 VAL QG2 4.16
&rst
ixpk= 0, nxpk= 0, iat= 221, -1, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
igr2= 231, 232, 233,
&end
#
# 16 LYS HN 17 VAL HB 5.16
&rst
ixpk= 0, nxpk= 0, iat= 199, 225, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66, &end
#
# 16 LYS HN 16 LYS HB3 3.56
&rst
ixpk= 0, nxpk= 0, iat= 199, 204, r1= 1.30, r2= 1.80, r3= 3.56, r4= 4.06, &end
#
# 16 LYS HN 16 LYS HG3 5.38
&rst
ixpk= 0, nxpk= 0, iat= 199, 207, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88, &end
#
# 16 LYS HN 16 LYS HB2 3.56
&rst
ixpk= 0, nxpk= 0, iat= 199, 203, r1= 1.30, r2= 1.80, r3= 3.56, r4= 4.06, &end
#
# 16 LYS HN 16 LYS QD 5.50
&rst
ixpk= 0, nxpk= 0, iat= 199, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 209, 210,
&end
#
# 16 LYS HN 16 LYS HG2 5.38
&rst
ixpk= 0, nxpk= 0, iat= 199, 206, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88, &end
#
# 15 GLY HA2 16 LYS HN 3.30
&rst
ixpk= 0, nxpk= 0, iat= 194, 199, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 15 GLY HA3 16 LYS HN 3.30
&rst
ixpk= 0, nxpk= 0, iat= 195, 199, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 15 GLY HN 16 LYS HN 4.29
&rst
ixpk= 0, nxpk= 0, iat= 192, 199, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79, &end
#
# 14 ARG QB 15 GLY HN 3.58
&rst
ixpk= 0, nxpk= 0, iat= -1, 192, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52,
igr1= 172, 173,
&end
#
# 14 ARG HA 15 GLY HN 2.78
&rst
ixpk= 0, nxpk= 0, iat= 170, 192, r1= 1.30, r2= 1.80, r3= 2.78, r4= 3.28, &end
#
# 14 ARG HN 15 GLY HN 4.71
&rst
ixpk= 0, nxpk= 0, iat= 168, 192, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21, &end
#
# 14 ARG HN 14 ARG QB 3.20
&rst
ixpk= 0, nxpk= 0, iat= 168, -1, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09,
igr2= 172, 173,
&end
#
# 14 ARG HN 14 ARG QD 5.50
&rst
ixpk= 0, nxpk= 0, iat= 168, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 178, 179,
&end
#
# 14 ARG HA 14 ARG HG3 4.25
&rst
ixpk= 0, nxpk= 0, iat= 170, 176, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75, &end
#
# 14 ARG HA 14 ARG HG2 4.25
&rst
ixpk= 0, nxpk= 0, iat= 170, 175, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75, &end
#
# 14 ARG QB 14 ARG QD 3.34
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71,
igr1= 172, 173,
igr2= 178, 179,
&end
#
# 14 ARG HN 14 ARG HG3 4.53
&rst
ixpk= 0, nxpk= 0, iat= 168, 176, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03, &end
#
# 14 ARG HN 14 ARG HG2 4.53
&rst
ixpk= 0, nxpk= 0, iat= 168, 175, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03, &end
#
# 13 CYX HB3 14 ARG HN 3.68
&rst
ixpk= 0, nxpk= 0, iat= 163, 168, r1= 1.30, r2= 1.80, r3= 3.68, r4= 4.18, &end
#
# 13 CYX HN 14 ARG HN 4.97
&rst
ixpk= 0, nxpk= 0, iat= 158, 168, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47, &end
#
# 13 CYX HB2 14 ARG HN 4.40
&rst
ixpk= 0, nxpk= 0, iat= 162, 168, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90, &end
#
# 13 CYX HA 14 ARG HN 2.98
&rst
ixpk= 0, nxpk= 0, iat= 160, 168, r1= 1.30, r2= 1.80, r3= 2.98, r4= 3.48, &end
#
# 13 CYX HN 13 CYX HB3 4.02
&rst
ixpk= 0, nxpk= 0, iat= 158, 163, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52, &end
#
# 13 CYX HN 13 CYX HB2 3.50
&rst
ixpk= 0, nxpk= 0, iat= 158, 162, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 9 CYX HA 12 GLN HN 3.75
&rst
ixpk= 0, nxpk= 0, iat= 116, 141, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25, &end
#
# 12 GLN HN 13 CYX HN 3.17
&rst
ixpk= 0, nxpk= 0, iat= 141, 158, r1= 1.30, r2= 1.80, r3= 3.17, r4= 3.67, &end
#
# 12 GLN HN 12 GLN HG3 4.11
&rst
ixpk= 0, nxpk= 0, iat= 141, 149, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61, &end
#
# 12 GLN HN 12 GLN HG2 4.11
&rst
ixpk= 0, nxpk= 0, iat= 141, 148, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61, &end
#
# 11 GLY HN 12 GLN HN 3.17
&rst
ixpk= 0, nxpk= 0, iat= 134, 141, r1= 1.30, r2= 1.80, r3= 3.17, r4= 3.67, &end
#
# 6 LYS HA 10 ALA HN 4.89
&rst
ixpk= 0, nxpk= 0, iat= 58, 124, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39, &end
#
# 7 GLU HA 10 ALA HN 3.66
&rst
ixpk= 0, nxpk= 0, iat= 80, 124, r1= 1.30, r2= 1.80, r3= 3.66, r4= 4.16, &end
#
# 10 ALA HN 11 GLY HN 3.29
&rst
ixpk= 0, nxpk= 0, iat= 124, 134, r1= 1.30, r2= 1.80, r3= 3.29, r4= 3.79, &end
#
# 10 ALA QB 11 GLY HN 3.56
&rst
ixpk= 0, nxpk= 0, iat= -1, 134, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78,
igr1= 128, 129, 130,
&end
#
# 6 LYS HA 10 ALA QB 5.50
&rst
ixpk= 0, nxpk= 0, iat= 58, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 128, 129, 130,
&end
#
# 10 ALA HN 10 ALA QB 3.10
&rst
ixpk= 0, nxpk= 0, iat= 124, -1, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22,
igr2= 128, 129, 130,
&end
#
# 9 CYX HB2 10 ALA HN 4.23
&rst
ixpk= 0, nxpk= 0, iat= 118, 124, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73, &end
#
# 9 CYX HB3 10 ALA HN 4.23
&rst
ixpk= 0, nxpk= 0, iat= 119, 124, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73, &end
#
# 9 CYX HN 10 ALA HN 3.53
&rst
ixpk= 0, nxpk= 0, iat= 114, 124, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03, &end
#
# 9 CYX HN 9 CYX HB3 3.65
&rst
ixpk= 0, nxpk= 0, iat= 114, 119, r1= 1.30, r2= 1.80, r3= 3.65, r4= 4.15, &end
#
# 9 CYX HN 9 CYX HB2 3.65
&rst
ixpk= 0, nxpk= 0, iat= 114, 118, r1= 1.30, r2= 1.80, r3= 3.65, r4= 4.15, &end
#
# 8 TYR HB2 9 CYX HN 3.80
&rst
ixpk= 0, nxpk= 0, iat= 97, 114, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end
#
# 8 TYR HB3 9 CYX HN 3.28
&rst
ixpk= 0, nxpk= 0, iat= 98, 114, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78, &end
#
# 8 TYR HN 8 TYR HB3 3.08
&rst
ixpk= 0, nxpk= 0, iat= 93, 98, r1= 1.30, r2= 1.80, r3= 3.08, r4= 3.58, &end
#
# 8 TYR HN 8 TYR HB2 3.49
&rst
ixpk= 0, nxpk= 0, iat= 93, 97, r1= 1.30, r2= 1.80, r3= 3.49, r4= 3.99, &end
#
# 8 TYR HN 9 CYX HN 3.37
&rst
ixpk= 0, nxpk= 0, iat= 93, 114, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87, &end
#
# 7 GLU HN 8 TYR HN 3.76
&rst
ixpk= 0, nxpk= 0, iat= 78, 93, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26, &end
#
# 7 GLU HA 8 TYR HA 5.01
&rst
ixpk= 0, nxpk= 0, iat= 80, 95, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51, &end
#
# 7 GLU QG 8 TYR HN 4.54
&rst
ixpk= 0, nxpk= 0, iat= -1, 93, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
igr1= 85, 86,
&end
#
# 7 GLU HN 8 TYR HB3 5.50
&rst
ixpk= 0, nxpk= 0, iat= 78, 98, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 7 GLU HA 7 GLU QG 3.49
&rst
ixpk= 0, nxpk= 0, iat= 80, -1, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42,
igr2= 85, 86,
&end
#
# 7 GLU HN 7 GLU QG 3.88
&rst
ixpk= 0, nxpk= 0, iat= 78, -1, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86,
igr2= 85, 86,
&end
#
# 6 LYS HB3 7 GLU HN 4.07
&rst
ixpk= 0, nxpk= 0, iat= 61, 78, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57, &end
#
# 6 LYS HB2 7 GLU HN 4.07
&rst
ixpk= 0, nxpk= 0, iat= 60, 78, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57, &end
#
# 6 LYS HN 6 LYS HB3 3.71
&rst
ixpk= 0, nxpk= 0, iat= 56, 61, r1= 1.30, r2= 1.80, r3= 3.71, r4= 4.21, &end
#
# 6 LYS HN 6 LYS HB2 3.71
&rst
ixpk= 0, nxpk= 0, iat= 56, 60, r1= 1.30, r2= 1.80, r3= 3.71, r4= 4.21, &end
#
# 6 LYS HN 6 LYS QG 4.11
&rst
ixpk= 0, nxpk= 0, iat= 56, -1, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,
igr2= 63, 64,
&end
#
# 6 LYS HN 6 LYS QD 5.05
&rst
ixpk= 0, nxpk= 0, iat= 56, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr2= 66, 67,
&end
#
# 5 MET HN 5 MET HB3 4.01
&rst
ixpk= 0, nxpk= 0, iat= 39, 44, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51, &end
#
# 5 MET HN 5 MET HG3 4.40
&rst
ixpk= 0, nxpk= 0, iat= 39, 47, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90, &end
#
# 5 MET HN 5 MET HG2 4.40
&rst
ixpk= 0, nxpk= 0, iat= 39, 46, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90, &end
#
# 5 MET HN 5 MET HB2 3.24
&rst
ixpk= 0, nxpk= 0, iat= 39, 43, r1= 1.30, r2= 1.80, r3= 3.24, r4= 3.74, &end
#
# 5 MET HA 7 GLU HN 4.50
&rst
ixpk= 0, nxpk= 0, iat= 41, 78, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 5 MET HB3 7 GLU HN 3.81
&rst
ixpk= 0, nxpk= 0, iat= 44, 78, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31, &end
#
# 5 MET HB2 6 LYS HN 4.61
&rst
ixpk= 0, nxpk= 0, iat= 43, 56, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11, &end
#
# 5 MET HB3 6 LYS HN 3.60
&rst
ixpk= 0, nxpk= 0, iat= 44, 56, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10, &end
#
# 5 MET HG2 6 LYS HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= 46, 56, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 5 MET HG3 6 LYS HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= 47, 56, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 5 MET HA 6 LYS HN 2.97
&rst
ixpk= 0, nxpk= 0, iat= 41, 56, r1= 1.30, r2= 1.80, r3= 2.97, r4= 3.47, &end
#
# 5 MET HN 6 LYS HN 4.57
&rst
ixpk= 0, nxpk= 0, iat= 39, 56, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07, &end
#
# 4 CYX HN 4 CYX HB3 3.70
&rst
ixpk= 0, nxpk= 0, iat= 29, 34, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20, &end
#
# 4 CYX HN 4 CYX HB2 3.41
&rst
ixpk= 0, nxpk= 0, iat= 29, 33, r1= 1.30, r2= 1.80, r3= 3.41, r4= 3.91, &end
#
# 4 CYX HB2 5 MET HN 3.51
&rst
ixpk= 0, nxpk= 0, iat= 33, 39, r1= 1.30, r2= 1.80, r3= 3.51, r4= 4.01, &end
#
# 4 CYX HB3 5 MET HN 3.40
&rst
ixpk= 0, nxpk= 0, iat= 34, 39, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90, &end
#
# 4 CYX HN 5 MET HN 3.10
&rst
ixpk= 0, nxpk= 0, iat= 29, 39, r1= 1.30, r2= 1.80, r3= 3.10, r4= 3.60, &end
#
# 5 MET HN 23 LEU HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= 39, 310, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 31 ARG HN 31 ARG QD 5.42
&rst
ixpk= 0, nxpk= 0, iat= 441, -1, r1= 1.30, r2= 1.80, r3= 6.08, r4= 6.58,
igr2= 451, 452,
&end
#
# 30 PRO HA 31 ARG HN 3.03
&rst
ixpk= 0, nxpk= 0, iat= 437, 441, r1= 1.30, r2= 1.80, r3= 3.03, r4= 3.53, &end
#
# 30 PRO QB 31 ARG HN 4.41
&rst
ixpk= 0, nxpk= 0, iat= -1, 441, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1= 434, 435,
&end
#
# 4 CYX HB2 26 CYX HN 4.32
&rst
ixpk= 0, nxpk= 0, iat= 33, 366, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82, &end
#
# 4 CYX HN 26 CYX HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= 29, 366, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 22 CYX HA 26 CYX HN 3.01
&rst
ixpk= 0, nxpk= 0, iat= 300, 366, r1= 1.30, r2= 1.80, r3= 3.01, r4= 3.51, &end
#
# 17 VAL QG2 18 SER HN 4.57
&rst
ixpk= 0, nxpk= 0, iat= -1, 237, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99,
igr1= 231, 232, 233,
&end
#
# 17 VAL QG1 18 SER HN 4.57
&rst
ixpk= 0, nxpk= 0, iat= -1, 237, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99,
igr1= 227, 228, 229,
&end
#
# 18 SER HN 29 ILE QD1 5.50
&rst
ixpk= 0, nxpk= 0, iat= 237, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 421, 422, 423,
&end
#
# 18 SER HN 29 ILE QG2 5.09
&rst
ixpk= 0, nxpk= 0, iat= 237, -1, r1= 1.30, r2= 1.80, r3= 6.11, r4= 6.61,
igr2= 414, 415, 416,
&end
#
# 6 LYS HN 23 LEU QD1 4.31
&rst
ixpk= 0, nxpk= 0, iat= 56, -1, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68,
igr2= 317, 318, 319,
&end
#
# 20 ASP HN 23 LEU QD2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 265, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 321, 322, 323,
&end
#
# 20 ASP HN 23 LEU HN 5.32
&rst
ixpk= 0, nxpk= 0, iat= 265, 308, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82, &end
#
# 4 CYX HN 23 LEU QD1 5.50
&rst
ixpk= 0, nxpk= 0, iat= 29, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 317, 318, 319,
&end
#
# 9 CYX HN 23 LEU QD1 5.29
&rst
ixpk= 0, nxpk= 0, iat= 114, -1, r1= 1.30, r2= 1.80, r3= 6.35, r4= 6.85,
igr2= 317, 318, 319,
&end
#
# 24 LYS HN 25 HIS HN 3.17
&rst
ixpk= 0, nxpk= 0, iat= 327, 349, r1= 1.30, r2= 1.80, r3= 3.17, r4= 3.67, &end
#
# 16 LYS HB3 17 VAL HN 4.01
&rst
ixpk= 0, nxpk= 0, iat= 204, 221, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51, &end
#
# 16 LYS HB2 17 VAL HN 4.01
&rst
ixpk= 0, nxpk= 0, iat= 203, 221, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51, &end
#
# 21 TYR HN 21 TYR QD 4.37
&rst
ixpk= 0, nxpk= 0, iat= 277, -1, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,
igr2= 285, 294,
&end
#
# 21 TYR HA 21 TYR QD 3.56
&rst
ixpk= 0, nxpk= 0, iat= 279, -1, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
igr2= 285, 294,
&end
#
# 21 TYR QE 25 HIS HB3 4.09
&rst
ixpk= 0, nxpk= 0, iat= -1, 354, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09,
igr1= 287, 294,
&end
#
# 21 TYR QD 29 ILE QD1 3.97
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85,
igr1= 285, 294,
igr2= 421, 422, 423,
&end
#
# 21 TYR QD 29 ILE QG2 4.48
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.04, r4= 6.54,
igr1= 285, 294,
igr2= 414, 415, 416,
&end
#
# 21 TYR QD 29 ILE QG1 4.25
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85,
igr1= 285, 294,
igr2= 418, 419,
&end
#
# 21 TYR HB3 29 ILE HN 5.00
&rst
ixpk= 0, nxpk= 0, iat= 282, 408, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 21 TYR QD 29 ILE HA 3.77
&rst
ixpk= 0, nxpk= 0, iat= -1, 410, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73,
igr1= 285, 294,
&end
#
# 21 TYR QD 28 CYX HA 4.33
&rst
ixpk= 0, nxpk= 0, iat= -1, 400, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
igr1= 285, 294,
&end
#
# 19 GLN HB2 19 GLN HE21 5.40
&rst
ixpk= 0, nxpk= 0, iat= 252, 260, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, &end
#
# 19 GLN HN 19 GLN HE21 5.50
&rst
ixpk= 0, nxpk= 0, iat= 248, 260, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 10 ALA QB 19 GLN HE21 4.60
&rst
ixpk= 0, nxpk= 0, iat= -1, 260, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02,
igr1= 128, 129, 130,
&end
#
# 10 ALA QB 19 GLN HE22 4.83
&rst
ixpk= 0, nxpk= 0, iat= -1, 261, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
igr1= 128, 129, 130,
&end
#
# 8 TYR HA 8 TYR QD 3.31
&rst
ixpk= 0, nxpk= 0, iat= 95, -1, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22,
igr2= 101, 110,
&end
#
# 8 TYR HA 8 TYR QE 4.94
&rst
ixpk= 0, nxpk= 0, iat= 95, -1, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,
igr2= 103, 110,
&end
#
# 8 TYR QD 9 CYX HN 4.14
&rst
ixpk= 0, nxpk= 0, iat= -1, 114, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,
igr1= 101, 110,
&end
#
# 4 CYX HB3 8 TYR QD 3.83
&rst
ixpk= 0, nxpk= 0, iat= 34, -1, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,
igr2= 101, 110,
&end
#
# 4 CYX HB3 8 TYR QE 5.37
&rst
ixpk= 0, nxpk= 0, iat= 34, -1, r1= 1.30, r2= 1.80, r3= 6.03, r4= 6.53,
igr2= 103, 110,
&end
#
# 8 TYR QE 12 GLN HG2 4.77
&rst
ixpk= 0, nxpk= 0, iat= -1, 148, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85,
igr1= 103, 110,
&end
#
# 14 ARG HA 19 GLN HE21 4.20
&rst
ixpk= 0, nxpk= 0, iat= 170, 260, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 14 ARG HA 19 GLN HE22 4.88
&rst
ixpk= 0, nxpk= 0, iat= 170, 261, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38, &end
#
# 10 ALA HA 19 GLN HE21 3.94
&rst
ixpk= 0, nxpk= 0, iat= 126, 260, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44, &end
#
# 10 ALA HA 19 GLN HE22 4.61
&rst
ixpk= 0, nxpk= 0, iat= 126, 261, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11, &end
#
# 6 LYS HA 6 LYS QE 4.87
&rst
ixpk= 0, nxpk= 0, iat= 58, -1, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
igr2= 69, 70,
&end
#
# 4 CYX HB3 26 CYX HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= 34, 366, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 9 CYX HN 10 ALA QB 5.39
&rst
ixpk= 0, nxpk= 0, iat= 114, -1, r1= 1.30, r2= 1.80, r3= 6.47, r4= 6.97,
igr2= 128, 129, 130,
&end
#
# 21 TYR QE 29 ILE HA 4.43
&rst
ixpk= 0, nxpk= 0, iat= -1, 410, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47,
igr1= 287, 294,
&end
#
# 21 TYR QE 25 HIS HB2 4.09
&rst
ixpk= 0, nxpk= 0, iat= -1, 353, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09,
igr1= 287, 294,
&end
#
# 21 TYR QE 27 LYS QD 4.17
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75,
igr1= 287, 294,
igr2= 386, 387,
&end
#
# 21 TYR QE 29 ILE QG2 5.49
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.40, r4= 7.90,
igr1= 287, 294,
igr2= 414, 415, 416,
&end
#
# 21 TYR QE 29 ILE QD1 5.42
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.31, r4= 7.81,
igr1= 287, 294,
igr2= 421, 422, 423,
&end
#
# 24 LYS HN 26 CYX HN 4.64
&rst
ixpk= 0, nxpk= 0, iat= 327, 366, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14, &end
#
# 15 GLY HN 19 GLN HE21 4.37
&rst
ixpk= 0, nxpk= 0, iat= 192, 260, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87, &end
#
# 18 SER HA 29 ILE HN 3.92
&rst
ixpk= 0, nxpk= 0, iat= 239, 408, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42, &end
#
# 18 SER HB3 29 ILE HN 5.09
&rst
ixpk= 0, nxpk= 0, iat= 242, 408, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59, &end
#
# 18 SER HB2 29 ILE HN 5.09
&rst
ixpk= 0, nxpk= 0, iat= 241, 408, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59, &end
#
# 20 ASP HN 21 TYR HB2 5.13
&rst
ixpk= 0, nxpk= 0, iat= 265, 281, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63, &end
#
# 20 ASP HN 21 TYR HB3 5.13
&rst
ixpk= 0, nxpk= 0, iat= 265, 282, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63, &end
#
# 17 VAL HA 20 ASP HN 4.27
&rst
ixpk= 0, nxpk= 0, iat= 223, 265, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77, &end
#
# 16 LYS HA 20 ASP HN 4.71
&rst
ixpk= 0, nxpk= 0, iat= 201, 265, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21, &end
#
# 18 SER HA 20 ASP HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= 239, 265, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 5 MET HN 8 TYR HB2 5.16
&rst
ixpk= 0, nxpk= 0, iat= 39, 97, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66, &end
#
# 19 GLN HA 21 TYR HN 4.86
&rst
ixpk= 0, nxpk= 0, iat= 250, 277, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36, &end
#
# 17 VAL HA 21 TYR HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= 223, 277, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 18 SER HA 21 TYR HN 4.01
&rst
ixpk= 0, nxpk= 0, iat= 239, 277, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51, &end
#
# 20 ASP HA 23 LEU HN 3.62
&rst
ixpk= 0, nxpk= 0, iat= 267, 308, r1= 1.30, r2= 1.80, r3= 3.62, r4= 4.12, &end
#
# 15 GLY HN 19 GLN HE22 4.71
&rst
ixpk= 0, nxpk= 0, iat= 192, 261, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21, &end
#
# 11 GLY HN 13 CYX HN 4.55
&rst
ixpk= 0, nxpk= 0, iat= 134, 158, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05, &end
#
# 16 LYS HA 19 GLN HB2 3.75
&rst
ixpk= 0, nxpk= 0, iat= 201, 252, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25, &end
#
# 24 LYS HB2 25 HIS HD2 3.83
&rst
ixpk= 0, nxpk= 0, iat= 331, 362, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33, &end
#
# 21 TYR HA 25 HIS HD2 3.95
&rst
ixpk= 0, nxpk= 0, iat= 279, 362, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45, &end
#
# 8 TYR QE 26 CYX HA 5.38
&rst
ixpk= 0, nxpk= 0, iat= -1, 368, r1= 1.30, r2= 1.80, r3= 6.04, r4= 6.54,
igr1= 103, 110,
&end
#
# 22 CYX HA 27 LYS HN 2.96
&rst
ixpk= 0, nxpk= 0, iat= 300, 376, r1= 1.30, r2= 1.80, r3= 2.96, r4= 3.46, &end
#
# 20 ASP HB3 23 LEU HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= 270, 308, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 20 ASP HB2 23 LEU HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= 269, 308, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 6 LYS HA 9 CYX HN 4.48
&rst
ixpk= 0, nxpk= 0, iat= 58, 114, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98, &end
#
# 18 SER HA 21 TYR QD 5.02
&rst
ixpk= 0, nxpk= 0, iat= 239, -1, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13,
igr2= 285, 294,
&end
#
# 21 TYR QE 30 PRO QD 4.41
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
igr1= 287, 294,
igr2= 428, 429,
&end
#
# 8 TYR HN 10 ALA HN 5.45
&rst
ixpk= 0, nxpk= 0, iat= 93, 124, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95, &end
#
# 25 HIS HN 27 LYS HN 4.39
&rst
ixpk= 0, nxpk= 0, iat= 349, 376, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89, &end
#
# 3 GLY HN 23 LEU HG 5.50
&rst
ixpk= 0, nxpk= 0, iat= 22, 315, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 4 CYX HN 23 LEU HG 5.50
&rst
ixpk= 0, nxpk= 0, iat= 29, 315, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 14 ARG QB 19 GLN HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 248, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 172, 173,
&end
#
# 16 LYS HN 19 GLN HB2 5.21
&rst
ixpk= 0, nxpk= 0, iat= 199, 252, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71, &end
#
# 24 LYS HB2 25 HIS HN 3.70
&rst
ixpk= 0, nxpk= 0, iat= 331, 349, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20, &end
#
# 23 LEU HN 24 LYS HB2 5.10
&rst
ixpk= 0, nxpk= 0, iat= 308, 331, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60, &end
#
# 22 CYX HN 28 CYX HA 5.07
&rst
ixpk= 0, nxpk= 0, iat= 298, 400, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57, &end
#
# 13 CYX HB3 18 SER HB2 4.25
&rst
ixpk= 0, nxpk= 0, iat= 163, 241, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75, &end
#
# 5 MET HN 8 TYR QD 4.83
&rst
ixpk= 0, nxpk= 0, iat= 39, -1, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,
igr2= 101, 110,
&end
#
# 5 MET HN 8 TYR HN 5.40
&rst
ixpk= 0, nxpk= 0, iat= 39, 93, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, &end
#
# 22 CYX HN 24 LYS HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= 298, 327, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 6 LYS HN 8 TYR HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= 56, 93, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 6 LYS HN 9 CYX HN 5.48
&rst
ixpk= 0, nxpk= 0, iat= 56, 114, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98, &end
#
# 7 GLU HN 9 CYX HN 5.26
&rst
ixpk= 0, nxpk= 0, iat= 78, 114, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76, &end
#
# 6 LYS QG 7 GLU HN 4.78
&rst
ixpk= 0, nxpk= 0, iat= -1, 78, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,
igr1= 63, 64,
&end
#
# 16 LYS HN 17 VAL HN 3.48
&rst
ixpk= 0, nxpk= 0, iat= 199, 221, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98, &end
#
# 10 ALA HN 12 GLN HN 4.97
&rst
ixpk= 0, nxpk= 0, iat= 124, 141, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47, &end
#
# 8 TYR QD 26 CYX HA 5.10
&rst
ixpk= 0, nxpk= 0, iat= -1, 368, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,
igr1= 101, 110,
&end
#
# 8 TYR QE 12 GLN HG3 4.77
&rst
ixpk= 0, nxpk= 0, iat= -1, 149, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85,
igr1= 103, 110,
&end
#
# 21 TYR QD 22 CYX HA 4.07
&rst
ixpk= 0, nxpk= 0, iat= -1, 300, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07,
igr1= 285, 294,
&end
#
# 13 CYX HB3 19 GLN HN 5.20
&rst
ixpk= 0, nxpk= 0, iat= 163, 248, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70, &end
#
# 19 GLN HN 22 CYX HN 5.07
&rst
ixpk= 0, nxpk= 0, iat= 248, 298, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57, &end
#
# 22 CYX HA 25 HIS HN 3.67
&rst
ixpk= 0, nxpk= 0, iat= 300, 349, r1= 1.30, r2= 1.80, r3= 3.67, r4= 4.17, &end
#
# 5 MET HB2 9 CYX HN 4.91
&rst
ixpk= 0, nxpk= 0, iat= 43, 114, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41, &end
#
# 23 LEU HB2 25 HIS HN 5.44
&rst
ixpk= 0, nxpk= 0, iat= 312, 349, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94, &end
#
# 23 LEU HB3 25 HIS HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= 313, 349, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 23 LEU HA 25 HIS HN 4.73
&rst
ixpk= 0, nxpk= 0, iat= 310, 349, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23, &end
#
# 5 MET HN 7 GLU HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= 39, 78, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 18 SER HN 20 ASP HN 4.45
&rst
ixpk= 0, nxpk= 0, iat= 237, 265, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95, &end
#
# 17 VAL HN 19 GLN HN 4.19
&rst
ixpk= 0, nxpk= 0, iat= 221, 248, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69, &end
#
# 9 CYX HN 11 GLY HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= 114, 134, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 14 ARG HA 19 GLN HN 4.39
&rst
ixpk= 0, nxpk= 0, iat= 170, 248, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89, &end
#
# 8 TYR QD 9 CYX HA 4.72
&rst
ixpk= 0, nxpk= 0, iat= -1, 116, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 101, 110,
&end
#
# 8 TYR QE 9 CYX HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 116, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 103, 110,
&end
#
# 24 LYS HB3 25 HIS HD2 5.43
&rst
ixpk= 0, nxpk= 0, iat= 332, 362, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93, &end
#
# 21 TYR QD 25 HIS HD2 4.04
&rst
ixpk= 0, nxpk= 0, iat= -1, 362, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
igr1= 285, 294,
&end
#
# 21 TYR QE 27 LYS QG 4.96
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.25, r4= 6.75,
igr1= 287, 294,
igr2= 383, 384,
&end
#
# 21 TYR QD 27 LYS QD 5.39
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.79, r4= 7.29,
igr1= 285, 294,
igr2= 386, 387,
&end
#
# 21 TYR QD 29 ILE HB 4.04
&rst
ixpk= 0, nxpk= 0, iat= -1, 412, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
igr1= 285, 294,
&end
#
# 13 CYX HB3 18 SER HB3 4.25
&rst
ixpk= 0, nxpk= 0, iat= 163, 242, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75, &end
#
# 29 ILE QG1 30 PRO QD 5.10
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.43, r4= 6.93,
igr1= 418, 419,
igr2= 428, 429,
&end
#
# 29 ILE QG2 30 PRO QD 4.51
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.08, r4= 6.58,
igr1= 414, 415, 416,
igr2= 428, 429,
&end
#
# 31 ARG HA 31 ARG QD 4.44
&rst
ixpk= 0, nxpk= 0, iat= 443, -1, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48,
igr2= 451, 452,
&end
#
# 18 SER HA 22 CYX HN 4.68
&rst
ixpk= 0, nxpk= 0, iat= 239, 298, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18, &end
#
# 20 ASP HA 23 LEU HB3 4.38
&rst
ixpk= 0, nxpk= 0, iat= 267, 313, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88, &end
#
# 6 LYS HA 8 TYR HB3 5.50
&rst
ixpk= 0, nxpk= 0, iat= 58, 98, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 29 ILE QD1 30 PRO QD 4.91
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.62, r4= 7.12,
igr1= 421, 422, 423,
igr2= 428, 429,
&end
#
# 21 TYR HB2 29 ILE QD1 4.36
&rst
ixpk= 0, nxpk= 0, iat= 281, -1, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,
igr2= 421, 422, 423,
&end
#
# 18 SER HA 29 ILE QG2 3.77
&rst
ixpk= 0, nxpk= 0, iat= 239, -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
igr2= 414, 415, 416,
&end
#
# 18 SER HA 29 ILE QD1 4.00
&rst
ixpk= 0, nxpk= 0, iat= 239, -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr2= 421, 422, 423,
&end
#
# 21 TYR HN 29 ILE QD1 5.50
&rst
ixpk= 0, nxpk= 0, iat= 277, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 421, 422, 423,
&end
#
# 5 MET HA 23 LEU QD1 4.96
&rst
ixpk= 0, nxpk= 0, iat= 41, -1, r1= 1.30, r2= 1.80, r3= 5.96, r4= 6.46,
igr2= 317, 318, 319,
&end
#
# 22 CYX HA 23 LEU QD1 5.34
&rst
ixpk= 0, nxpk= 0, iat= 300, -1, r1= 1.30, r2= 1.80, r3= 6.41, r4= 6.91,
igr2= 317, 318, 319,
&end
#
# 6 LYS HA 23 LEU QD1 3.35
&rst
ixpk= 0, nxpk= 0, iat= 58, -1, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52,
igr2= 317, 318, 319,
&end
#
# 21 TYR HB3 29 ILE QD1 4.36
&rst
ixpk= 0, nxpk= 0, iat= 282, -1, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,
igr2= 421, 422, 423,
&end
#
# 20 ASP HA 23 LEU QD2 3.47
&rst
ixpk= 0, nxpk= 0, iat= 267, -1, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67,
igr2= 321, 322, 323,
&end
#
# 18 SER HA 29 ILE QG1 4.13
&rst
ixpk= 0, nxpk= 0, iat= 239, -1, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,
igr2= 418, 419,
&end
#
# 24 LYS HA 26 CYX HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= 329, 366, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 23 LEU HA 26 CYX HN 5.33
&rst
ixpk= 0, nxpk= 0, iat= 310, 366, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83, &end
#
# 3 GLY HA2 26 CYX HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= 24, 366, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 24 LYS HB2 26 CYX HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= 331, 366, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 20 ASP HN 23 LEU QD1 5.50
&rst
ixpk= 0, nxpk= 0, iat= 265, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 317, 318, 319,
&end
#
# 5 MET HN 23 LEU QD1 5.50
&rst
ixpk= 0, nxpk= 0, iat= 39, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 317, 318, 319,
&end
#
# 22 CYX HN 29 ILE QD1 5.50
&rst
ixpk= 0, nxpk= 0, iat= 298, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 421, 422, 423,
&end
#
# 22 CYX HN 29 ILE QG2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 298, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 414, 415, 416,
&end
#
# 6 LYS HN 23 LEU QD2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 56, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 321, 322, 323,
&end
#
# 17 VAL QG1 19 GLN HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 248, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 227, 228, 229,
&end
#
# 17 VAL QG2 19 GLN HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 248, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 231, 232, 233,
&end
#
# 22 CYX HN 23 LEU QD2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 298, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 321, 322, 323,
&end
#
# 23 LEU QD2 24 LYS HN 5.29
&rst
ixpk= 0, nxpk= 0, iat= -1, 327, r1= 1.30, r2= 1.80, r3= 6.35, r4= 6.85,
igr1= 321, 322, 323,
&end
#
# 23 LEU QD1 24 LYS HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 327, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 317, 318, 319,
&end
#
# 21 TYR QE 29 ILE QG1 5.27
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.64, r4= 7.14,
igr1= 287, 294,
igr2= 418, 419,
&end
#
# 21 TYR HN 29 ILE QG2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 277, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 414, 415, 416,
&end
#
# 9 CYX HN 12 GLN HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= 114, 141, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 9 CYX HB2 23 LEU QD1 4.40
&rst
ixpk= 0, nxpk= 0, iat= 118, -1, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
igr2= 317, 318, 319,
&end
#
# 9 CYX HB3 23 LEU QD1 4.40
&rst
ixpk= 0, nxpk= 0, iat= 119, -1, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
igr2= 317, 318, 319,
&end
#
# 29 ILE HB 30 PRO QD 4.93
&rst
ixpk= 0, nxpk= 0, iat= 412, -1, r1= 1.30, r2= 1.80, r3= 5.53, r4= 6.03,
igr2= 428, 429,
&end
#
# 13 CYX HA 14 ARG QB 5.15
&rst
ixpk= 0, nxpk= 0, iat= 160, -1, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28,
igr2= 172, 173,
&end
#
# 18 SER HA 29 ILE HB 5.26
&rst
ixpk= 0, nxpk= 0, iat= 239, 412, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76, &end
#
# 4 CYX HN 26 CYX QB 5.34
&rst
ixpk= 0, nxpk= 0, iat= 29, -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr2= 370, 371,
&end
#
# 4 CYX HB2 26 CYX QB 3.51
&rst
ixpk= 0, nxpk= 0, iat= 33, -1, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44,
igr2= 370, 371,
&end
#
# 5 MET HA 5 MET QG 3.74
&rst
ixpk= 0, nxpk= 0, iat= 41, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2= 46, 47,
&end
#
# 5 MET QG 6 LYS HN 4.72
&rst
ixpk= 0, nxpk= 0, iat= -1, 56, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 46, 47,
&end
#
# 6 LYS HN 6 LYS QB 3.15
&rst
ixpk= 0, nxpk= 0, iat= 56, -1, r1= 1.30, r2= 1.80, r3= 3.54, r4= 4.04,
igr2= 60, 61,
&end
#
# 6 LYS HA 9 CYX QB 5.00
&rst
ixpk= 0, nxpk= 0, iat= 58, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2= 118, 119,
&end
#
# 7 GLU HN 7 GLU QB 3.14
&rst
ixpk= 0, nxpk= 0, iat= 78, -1, r1= 1.30, r2= 1.80, r3= 3.52, r4= 4.02,
igr2= 82, 83,
&end
#
# 7 GLU QB 8 TYR HN 3.46
&rst
ixpk= 0, nxpk= 0, iat= -1, 93, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38,
igr1= 82, 83,
&end
#
# 7 GLU QB 8 TYR QD 5.34
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 82, 83,
igr2= 101, 110,
&end
#
# 8 TYR HN 9 CYX QB 5.34
&rst
ixpk= 0, nxpk= 0, iat= 93, -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr2= 118, 119,
&end
#
# 8 TYR QD 9 CYX QB 5.18
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.53, r4= 7.03,
igr1= 101, 110,
igr2= 118, 119,
&end
#
# 8 TYR QD 12 GLN QB 5.26
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.63, r4= 7.13,
igr1= 101, 110,
igr2= 145, 146,
&end
#
# 8 TYR QD 12 GLN QG 4.58
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.77, r4= 6.27,
igr1= 101, 110,
igr2= 148, 149,
&end
#
# 8 TYR QE 12 GLN QB 5.34
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 103, 110,
igr2= 145, 146,
&end
#
# 8 TYR QE 26 CYX QB 5.34
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 103, 110,
igr2= 370, 371,
&end
#
# 9 CYX HN 9 CYX QB 3.10
&rst
ixpk= 0, nxpk= 0, iat= 114, -1, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98,
igr2= 118, 119,
&end
#
# 9 CYX QB 10 ALA HN 3.40
&rst
ixpk= 0, nxpk= 0, iat= -1, 124, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32,
igr1= 118, 119,
&end
#
# 9 CYX QB 22 CYX QB 2.82
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.55, r4= 4.05,
igr1= 118, 119,
igr2= 302, 303,
&end
#
# 9 CYX QB 23 LEU QD1 3.84
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68,
igr1= 118, 119,
igr2= 317, 318, 319,
&end
#
# 10 ALA HA 19 GLN QG 4.48
&rst
ixpk= 0, nxpk= 0, iat= 126, -1, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,
igr2= 255, 256,
&end
#
# 10 ALA QB 11 GLY QA 5.34
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.20, r4= 7.70,
igr1= 128, 129, 130,
igr2= 136, 137,
&end
#
# 12 GLN HN 12 GLN QB 3.32
&rst
ixpk= 0, nxpk= 0, iat= 141, -1, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23,
igr2= 145, 146,
&end
#
# 12 GLN HN 12 GLN QG 3.43
&rst
ixpk= 0, nxpk= 0, iat= 141, -1, r1= 1.30, r2= 1.80, r3= 3.85, r4= 4.35,
igr2= 148, 149,
&end
#
# 12 GLN HA 12 GLN QG 3.11
&rst
ixpk= 0, nxpk= 0, iat= 143, -1, r1= 1.30, r2= 1.80, r3= 3.49, r4= 3.99,
igr2= 148, 149,
&end
#
# 12 GLN QB 13 CYX HN 3.92
&rst
ixpk= 0, nxpk= 0, iat= -1, 158, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,
igr1= 145, 146,
&end
#
# 12 GLN QG 13 CYX HN 4.23
&rst
ixpk= 0, nxpk= 0, iat= -1, 158, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25,
igr1= 148, 149,
&end
#
# 13 CYX HN 14 ARG QG 5.27
&rst
ixpk= 0, nxpk= 0, iat= 158, -1, r1= 1.30, r2= 1.80, r3= 5.92, r4= 6.42,
igr2= 175, 176,
&end
#
# 13 CYX HN 19 GLN QG 5.34
&rst
ixpk= 0, nxpk= 0, iat= 158, -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr2= 255, 256,
&end
#
# 13 CYX HB3 19 GLN QG 4.91
&rst
ixpk= 0, nxpk= 0, iat= 163, -1, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01,
igr2= 255, 256,
&end
#
# 14 ARG HN 14 ARG QG 3.96
&rst
ixpk= 0, nxpk= 0, iat= 168, -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
igr2= 175, 176,
&end
#
# 14 ARG HN 18 SER QB 4.19
&rst
ixpk= 0, nxpk= 0, iat= 168, -1, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,
igr2= 241, 242,
&end
#
# 14 ARG HA 14 ARG QG 3.66
&rst
ixpk= 0, nxpk= 0, iat= 170, -1, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,
igr2= 175, 176,
&end
#
# 14 ARG QB 14 ARG QG 2.39
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.01, r4= 3.51,
igr1= 172, 173,
igr2= 175, 176,
&end
#
# 15 GLY HN 19 GLN QG 5.13
&rst
ixpk= 0, nxpk= 0, iat= 192, -1, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26,
igr2= 255, 256,
&end
#
# 15 GLY QA 16 LYS HN 2.83
&rst
ixpk= 0, nxpk= 0, iat= -1, 199, r1= 1.30, r2= 1.80, r3= 3.18, r4= 3.68,
igr1= 194, 195,
&end
#
# 15 GLY QA 17 VAL HN 4.10
&rst
ixpk= 0, nxpk= 0, iat= -1, 221, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
igr1= 194, 195,
&end
#
# 15 GLY QA 18 SER QB 4.24
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
igr1= 194, 195,
igr2= 241, 242,
&end
#
# 16 LYS HN 16 LYS QB 3.01
&rst
ixpk= 0, nxpk= 0, iat= 199, -1, r1= 1.30, r2= 1.80, r3= 3.38, r4= 3.88,
igr2= 203, 204,
&end
#
# 16 LYS HN 16 LYS QG 4.57
&rst
ixpk= 0, nxpk= 0, iat= 199, -1, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63,
igr2= 206, 207,
&end
#
# 16 LYS HN 17 VAL QQG 5.39
&rst
ixpk= 0, nxpk= 0, iat= 199, 224, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89, &end
#
# 16 LYS HA 19 GLN QG 5.34
&rst
ixpk= 0, nxpk= 0, iat= 201, -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr2= 255, 256,
&end
#
# 16 LYS QB 17 VAL HN 3.44
&rst
ixpk= 0, nxpk= 0, iat= -1, 221, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36,
igr1= 203, 204,
&end
#
# 16 LYS QB 18 SER HN 5.34
&rst
ixpk= 0, nxpk= 0, iat= -1, 237, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr1= 203, 204,
&end
#
# 17 VAL HN 17 VAL QQG 3.20
&rst
ixpk= 0, nxpk= 0, iat= 221, 224, r1= 1.30, r2= 1.80, r3= 3.20, r4= 3.70, &end
#
# 17 VAL HN 18 SER QB 4.92
&rst
ixpk= 0, nxpk= 0, iat= 221, -1, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02,
igr2= 241, 242,
&end
#
# 17 VAL HA 17 VAL QQG 2.99
&rst
ixpk= 0, nxpk= 0, iat= 223, 224, r1= 1.30, r2= 1.80, r3= 2.99, r4= 3.49, &end
#
# 17 VAL HA 20 ASP QB 4.50
&rst
ixpk= 0, nxpk= 0, iat= 223, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 269, 270,
&end
#
# 17 VAL QQG 18 SER HN 3.95
&rst
ixpk= 0, nxpk= 0, iat= 224, 237, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45, &end
#
# 17 VAL QQG 20 ASP HN 5.44
&rst
ixpk= 0, nxpk= 0, iat= 224, 265, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94, &end
#
# 17 VAL QQG 21 TYR HN 4.94
&rst
ixpk= 0, nxpk= 0, iat= 224, 277, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44, &end
#
# 18 SER HA 21 TYR QB 4.00
&rst
ixpk= 0, nxpk= 0, iat= 239, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2= 281, 282,
&end
#
# 18 SER QB 19 GLN HN 3.11
&rst
ixpk= 0, nxpk= 0, iat= -1, 248, r1= 1.30, r2= 1.80, r3= 3.49, r4= 3.99,
igr1= 241, 242,
&end
#
# 18 SER QB 29 ILE HN 4.43
&rst
ixpk= 0, nxpk= 0, iat= -1, 408, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47,
igr1= 241, 242,
&end
#
# 18 SER QB 29 ILE HB 5.34
&rst
ixpk= 0, nxpk= 0, iat= -1, 412, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr1= 241, 242,
&end
#
# 18 SER QB 29 ILE QG2 3.97
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85,
igr1= 241, 242,
igr2= 414, 415, 416,
&end
#
# 18 SER QB 29 ILE QD1 5.02
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.77, r4= 7.27,
igr1= 241, 242,
igr2= 421, 422, 423,
&end
#
# 19 GLN HN 19 GLN QG 3.40
&rst
ixpk= 0, nxpk= 0, iat= 248, -1, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32,
igr2= 255, 256,
&end
#
# 19 GLN QG 20 ASP HN 4.67
&rst
ixpk= 0, nxpk= 0, iat= -1, 265, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,
igr1= 255, 256,
&end
#
# 20 ASP HN 20 ASP QB 3.05
&rst
ixpk= 0, nxpk= 0, iat= 265, -1, r1= 1.30, r2= 1.80, r3= 3.42, r4= 3.92,
igr2= 269, 270,
&end
#
# 20 ASP QB 21 TYR HN 3.33
&rst
ixpk= 0, nxpk= 0, iat= -1, 277, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24,
igr1= 269, 270,
&end
#
# 20 ASP QB 23 LEU QD2 4.57
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66,
igr1= 269, 270,
igr2= 321, 322, 323,
&end
#
# 21 TYR HN 21 TYR QB 2.83
&rst
ixpk= 0, nxpk= 0, iat= 277, -1, r1= 1.30, r2= 1.80, r3= 3.18, r4= 3.68,
igr2= 281, 282,
&end
#
# 21 TYR QB 22 CYX HN 3.25
&rst
ixpk= 0, nxpk= 0, iat= -1, 298, r1= 1.30, r2= 1.80, r3= 3.65, r4= 4.15,
igr1= 281, 282,
&end
#
# 21 TYR QB 25 HIS HD2 5.34
&rst
ixpk= 0, nxpk= 0, iat= -1, 362, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr1= 281, 282,
&end
#
# 21 TYR QB 29 ILE HA 3.97
&rst
ixpk= 0, nxpk= 0, iat= -1, 410, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96,
igr1= 281, 282,
&end
#
# 21 TYR QB 29 ILE HB 3.65
&rst
ixpk= 0, nxpk= 0, iat= -1, 412, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,
igr1= 281, 282,
&end
#
# 21 TYR QB 29 ILE QG2 3.83
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
igr1= 281, 282,
igr2= 414, 415, 416,
&end
#
# 21 TYR QB 29 ILE QG1 3.99
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,
igr1= 281, 282,
igr2= 418, 419,
&end
#
# 21 TYR QB 29 ILE QD1 3.54
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,
igr1= 281, 282,
igr2= 421, 422, 423,
&end
#
# 21 TYR QD 25 HIS QB 3.81
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr1= 285, 294,
igr2= 353, 354,
&end
#
# 21 TYR QD 27 LYS QB 4.98
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.27, r4= 6.77,
igr1= 285, 294,
igr2= 380, 381,
&end
#
# 21 TYR QE 25 HIS QB 3.56
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1= 287, 294,
igr2= 353, 354,
&end
#
# 21 TYR QE 27 LYS QB 4.52
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
igr1= 287, 294,
igr2= 380, 381,
&end
#
# 22 CYX HN 22 CYX QB 2.89
&rst
ixpk= 0, nxpk= 0, iat= 298, -1, r1= 1.30, r2= 1.80, r3= 3.24, r4= 3.74,
igr2= 302, 303,
&end
#
# 22 CYX HA 25 HIS QB 4.68
&rst
ixpk= 0, nxpk= 0, iat= 300, -1, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75,
igr2= 353, 354,
&end
#
# 22 CYX QB 23 LEU HN 3.60
&rst
ixpk= 0, nxpk= 0, iat= -1, 308, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1= 302, 303,
&end
#
# 22 CYX QB 27 LYS HN 4.09
&rst
ixpk= 0, nxpk= 0, iat= -1, 376, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09,
igr1= 302, 303,
&end
#
# 24 LYS HN 24 LYS QG 3.51
&rst
ixpk= 0, nxpk= 0, iat= 327, -1, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44,
igr2= 334, 335,
&end
#
# 24 LYS HA 24 LYS QG 3.44
&rst
ixpk= 0, nxpk= 0, iat= 329, -1, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36,
igr2= 334, 335,
&end
#
# 24 LYS QG 25 HIS HN 4.28
&rst
ixpk= 0, nxpk= 0, iat= -1, 349, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr1= 334, 335,
&end
#
# 24 LYS QG 25 HIS HD2 4.26
&rst
ixpk= 0, nxpk= 0, iat= -1, 362, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28,
igr1= 334, 335,
&end
#
# 25 HIS HN 25 HIS QB 3.20
&rst
ixpk= 0, nxpk= 0, iat= 349, -1, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09,
igr2= 353, 354,
&end
#
# 25 HIS QB 25 HIS HD2 3.48
&rst
ixpk= 0, nxpk= 0, iat= -1, 362, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41,
igr1= 353, 354,
&end
#
# 25 HIS QB 26 CYX HN 4.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 366, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1= 353, 354,
&end
#
# 25 HIS QB 27 LYS HN 3.73
&rst
ixpk= 0, nxpk= 0, iat= -1, 376, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69,
igr1= 353, 354,
&end
#
# 27 LYS HN 27 LYS QB 3.61
&rst
ixpk= 0, nxpk= 0, iat= 376, -1, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55,
igr2= 380, 381,
&end
#
# 27 LYS QB 27 LYS QD 3.28
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63,
igr1= 380, 381,
igr2= 386, 387,
&end
#
# 27 LYS QB 27 LYS QE 4.66
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.87, r4= 6.37,
igr1= 380, 381,
igr2= 389, 390,
&end
#
# 31 ARG HN 31 ARG QB 3.46
&rst
ixpk= 0, nxpk= 0, iat= 441, -1, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38,
igr2= 445, 446,
&end
#
# 31 ARG HN 31 ARG QG 3.68
&rst
ixpk= 0, nxpk= 0, iat= 441, -1, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63,
igr2= 448, 449,
&end
# 464 atoms read from pdb file ts16.amb.pdb.