NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type | subtype | subsubtype |
|
|
588777 |
2rv3   |
11483 | cing | 1-original | 3 | AMBER | distance | NOE | simple |
#
# 8 LYS HA 8 LYS HG2 4.24
&rst
ixpk= 0, nxpk= 0, iat= 71, 76, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
rk2 = 32.0, rk3 = 32.0, ir6=1, ialtd=0,
&end
#
# 8 LYS HA 8 LYS HG3 4.24
&rst
ixpk= 0, nxpk= 0, iat= 71, 77, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74, &end
#
# 8 LYS HA 8 LYS QG 3.65
&rst
ixpk= 0, nxpk= 0, iat= 71, -1, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,
igr2= 76, 77,
&end
#
# 8 LYS HG2 8 LYS QE 4.02
&rst
ixpk= 0, nxpk= 0, iat= 76, -1, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01,
igr2= 82, 83,
&end
#
# 8 LYS HG3 8 LYS QE 4.02
&rst
ixpk= 0, nxpk= 0, iat= 77, -1, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01,
igr2= 82, 83,
&end
#
# 8 LYS QB 8 LYS QE 3.43
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82,
igr1= 73, 74,
igr2= 82, 83,
&end
#
# 8 LYS QG 8 LYS QE 3.47
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87,
igr1= 76, 77,
igr2= 82, 83,
&end
#
# 9 THR HA 10 HIS HD2 4.50
&rst
ixpk= 0, nxpk= 0, iat= 93, 118, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 9 THR HA 10 HIS HN 3.31
&rst
ixpk= 0, nxpk= 0, iat= 93, 105, r1= 1.30, r2= 1.80, r3= 3.31, r4= 3.81, &end
#
# 9 THR HA 10 HIS QB 4.65
&rst
ixpk= 0, nxpk= 0, iat= 93, -1, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
igr2= 109, 110,
&end
#
# 9 THR HA 20 LYS HA 4.43
&rst
ixpk= 0, nxpk= 0, iat= 93, 263, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93, &end
#
# 9 THR HA 9 THR QG2 3.39
&rst
ixpk= 0, nxpk= 0, iat= 93, -1, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57,
igr2= 97, 98, 99,
&end
#
# 9 THR HB 10 HIS HN 4.38
&rst
ixpk= 0, nxpk= 0, iat= 95, 105, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88, &end
#
# 9 THR HB 11 LEU HB2 4.46
&rst
ixpk= 0, nxpk= 0, iat= 95, 126, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96, &end
#
# 9 THR HB 18 LYS HB3 4.90
&rst
ixpk= 0, nxpk= 0, iat= 95, 224, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40, &end
#
# 9 THR HB 18 LYS HG3 5.21
&rst
ixpk= 0, nxpk= 0, iat= 95, 227, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71, &end
#
# 9 THR HB 18 LYS QD 4.86
&rst
ixpk= 0, nxpk= 0, iat= 95, -1, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96,
igr2= 229, 230,
&end
#
# 9 THR HB 19 PHE HN 5.29
&rst
ixpk= 0, nxpk= 0, iat= 95, 241, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79, &end
#
# 9 THR QG2 10 HIS HN 4.43
&rst
ixpk= 0, nxpk= 0, iat= -1, 105, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82,
igr1= 97, 98, 99,
&end
#
# 9 THR QG2 11 LEU HB2 4.51
&rst
ixpk= 0, nxpk= 0, iat= -1, 126, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,
igr1= 97, 98, 99,
&end
#
# 9 THR QG2 18 LYS HB2 4.59
&rst
ixpk= 0, nxpk= 0, iat= -1, 223, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01,
igr1= 97, 98, 99,
&end
#
# 9 THR QG2 18 LYS HB3 4.60
&rst
ixpk= 0, nxpk= 0, iat= -1, 224, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02,
igr1= 97, 98, 99,
&end
#
# 9 THR QG2 18 LYS HG3 4.20
&rst
ixpk= 0, nxpk= 0, iat= -1, 227, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr1= 97, 98, 99,
&end
#
# 9 THR QG2 18 LYS QD 3.88
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73,
igr1= 97, 98, 99,
igr2= 229, 230,
&end
#
# 9 THR QG2 18 LYS QE 4.38
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,
igr1= 97, 98, 99,
igr2= 232, 233,
&end
#
# 9 THR QG2 19 PHE HN 4.72
&rst
ixpk= 0, nxpk= 0, iat= -1, 241, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 97, 98, 99,
&end
#
# 9 THR QG2 20 LYS HA 4.54
&rst
ixpk= 0, nxpk= 0, iat= -1, 263, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95,
igr1= 97, 98, 99,
&end
#
# 10 HIS HA 11 LEU HB2 4.93
&rst
ixpk= 0, nxpk= 0, iat= 107, 126, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43, &end
#
# 10 HIS HA 11 LEU HB3 4.72
&rst
ixpk= 0, nxpk= 0, iat= 107, 127, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, &end
#
# 10 HIS HA 11 LEU HN 2.77
&rst
ixpk= 0, nxpk= 0, iat= 107, 122, r1= 1.30, r2= 1.80, r3= 2.77, r4= 3.27, &end
#
# 10 HIS HA 25 LEU QD2 4.08
&rst
ixpk= 0, nxpk= 0, iat= 107, -1, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,
igr2= 350, 351, 352,
&end
#
# 10 HIS HD2 20 LYS HA 5.08
&rst
ixpk= 0, nxpk= 0, iat= 118, 263, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58, &end
#
# 10 HIS HD2 21 SER HA 4.45
&rst
ixpk= 0, nxpk= 0, iat= 118, 285, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95, &end
#
# 10 HIS HD2 21 SER HN 4.20
&rst
ixpk= 0, nxpk= 0, iat= 118, 283, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 10 HIS HE1 22 LYS HA 5.03
&rst
ixpk= 0, nxpk= 0, iat= 115, 296, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53, &end
#
# 10 HIS HE1 22 LYS HG2 4.63
&rst
ixpk= 0, nxpk= 0, iat= 115, 301, r1= 1.30, r2= 1.80, r3= 4.63, r4= 5.13, &end
#
# 10 HIS HE1 22 LYS HG3 4.63
&rst
ixpk= 0, nxpk= 0, iat= 115, 302, r1= 1.30, r2= 1.80, r3= 4.63, r4= 5.13, &end
#
# 10 HIS HE1 22 LYS QB 4.03
&rst
ixpk= 0, nxpk= 0, iat= 115, -1, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02,
igr2= 298, 299,
&end
#
# 10 HIS HE1 22 LYS QE 4.40
&rst
ixpk= 0, nxpk= 0, iat= 115, -1, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
igr2= 307, 308,
&end
#
# 10 HIS HE1 22 LYS QG 4.06
&rst
ixpk= 0, nxpk= 0, iat= 115, -1, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06,
igr2= 301, 302,
&end
#
# 10 HIS HN 10 HIS HD2 4.28
&rst
ixpk= 0, nxpk= 0, iat= 105, 118, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78, &end
#
# 10 HIS HN 10 HIS QB 3.61
&rst
ixpk= 0, nxpk= 0, iat= 105, -1, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55,
igr2= 109, 110,
&end
#
# 10 HIS HN 19 PHE HN 4.21
&rst
ixpk= 0, nxpk= 0, iat= 105, 241, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71, &end
#
# 10 HIS QB 10 HIS HD2 3.75
&rst
ixpk= 0, nxpk= 0, iat= -1, 118, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71,
igr1= 109, 110,
&end
#
# 10 HIS QB 11 LEU HN 3.73
&rst
ixpk= 0, nxpk= 0, iat= -1, 122, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69,
igr1= 109, 110,
&end
#
# 10 HIS QB 19 PHE HB2 3.64
&rst
ixpk= 0, nxpk= 0, iat= -1, 245, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59,
igr1= 109, 110,
&end
#
# 10 HIS QB 19 PHE HB3 4.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 246, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1= 109, 110,
&end
#
# 10 HIS QB 19 PHE HN 3.74
&rst
ixpk= 0, nxpk= 0, iat= -1, 241, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1= 109, 110,
&end
#
# 10 HIS QB 19 PHE QD 4.32
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94,
igr1= 109, 110,
igr2= 249, 257,
&end
#
# 10 HIS QB 21 SER HN 4.56
&rst
ixpk= 0, nxpk= 0, iat= -1, 283, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
igr1= 109, 110,
&end
#
# 10 HIS QB 22 LYS HA 4.20
&rst
ixpk= 0, nxpk= 0, iat= -1, 296, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
igr1= 109, 110,
&end
#
# 10 HIS QB 25 LEU HA 5.12
&rst
ixpk= 0, nxpk= 0, iat= -1, 339, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25,
igr1= 109, 110,
&end
#
# 10 HIS QB 25 LEU HB2 3.71
&rst
ixpk= 0, nxpk= 0, iat= -1, 341, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66,
igr1= 109, 110,
&end
#
# 10 HIS QB 25 LEU HB3 4.08
&rst
ixpk= 0, nxpk= 0, iat= -1, 342, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
igr1= 109, 110,
&end
#
# 10 HIS QB 25 LEU HG 4.57
&rst
ixpk= 0, nxpk= 0, iat= -1, 344, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63,
igr1= 109, 110,
&end
#
# 10 HIS QB 25 LEU HN 4.60
&rst
ixpk= 0, nxpk= 0, iat= -1, 337, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
igr1= 109, 110,
&end
#
# 10 HIS QB 25 LEU QD1 4.10
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.53, r4= 6.03,
igr1= 109, 110,
igr2= 346, 347, 348,
&end
#
# 10 HIS QB 25 LEU QD2 3.18
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79,
igr1= 109, 110,
igr2= 350, 351, 352,
&end
#
# 11 LEU HB2 11 LEU QD1 3.57
&rst
ixpk= 0, nxpk= 0, iat= 126, -1, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79,
igr2= 131, 132, 133,
&end
#
# 11 LEU HB2 11 LEU QD2 3.49
&rst
ixpk= 0, nxpk= 0, iat= 126, -1, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69,
igr2= 135, 136, 137,
&end
#
# 11 LEU HB2 12 CYM HN 4.02
&rst
ixpk= 0, nxpk= 0, iat= 126, 141, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52, &end
#
# 11 LEU HB2 18 LYS HG2 3.76
&rst
ixpk= 0, nxpk= 0, iat= 126, 226, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26, &end
#
# 11 LEU HB2 18 LYS HG3 3.54
&rst
ixpk= 0, nxpk= 0, iat= 126, 227, r1= 1.30, r2= 1.80, r3= 3.54, r4= 4.04, &end
#
# 11 LEU HB2 18 LYS QE 4.16
&rst
ixpk= 0, nxpk= 0, iat= 126, -1, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,
igr2= 232, 233,
&end
#
# 11 LEU HB3 11 LEU QD1 3.94
&rst
ixpk= 0, nxpk= 0, iat= 127, -1, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,
igr2= 131, 132, 133,
&end
#
# 11 LEU HB3 11 LEU QD2 3.38
&rst
ixpk= 0, nxpk= 0, iat= 127, -1, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56,
igr2= 135, 136, 137,
&end
#
# 11 LEU HB3 12 CYM HN 4.36
&rst
ixpk= 0, nxpk= 0, iat= 127, 141, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86, &end
#
# 11 LEU HG 12 CYM HB3 5.01
&rst
ixpk= 0, nxpk= 0, iat= 129, 145, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51, &end
#
# 11 LEU HG 12 CYM HN 4.02
&rst
ixpk= 0, nxpk= 0, iat= 129, 141, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52, &end
#
# 11 LEU HG 13 ASP HA 4.49
&rst
ixpk= 0, nxpk= 0, iat= 129, 153, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99, &end
#
# 11 LEU HG 16 GLY HA2 4.83
&rst
ixpk= 0, nxpk= 0, iat= 129, 192, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33, &end
#
# 11 LEU HN 11 LEU HB2 3.33
&rst
ixpk= 0, nxpk= 0, iat= 122, 126, r1= 1.30, r2= 1.80, r3= 3.33, r4= 3.83, &end
#
# 11 LEU HN 11 LEU HB3 3.31
&rst
ixpk= 0, nxpk= 0, iat= 122, 127, r1= 1.30, r2= 1.80, r3= 3.31, r4= 3.81, &end
#
# 11 LEU HN 11 LEU HG 4.39
&rst
ixpk= 0, nxpk= 0, iat= 122, 129, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89, &end
#
# 11 LEU HN 11 LEU QD1 4.48
&rst
ixpk= 0, nxpk= 0, iat= 122, -1, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88,
igr2= 131, 132, 133,
&end
#
# 11 LEU HN 11 LEU QD2 4.56
&rst
ixpk= 0, nxpk= 0, iat= 122, -1, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98,
igr2= 135, 136, 137,
&end
#
# 11 LEU HN 12 CYM HN 4.73
&rst
ixpk= 0, nxpk= 0, iat= 122, 141, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23, &end
#
# 11 LEU HN 25 LEU QD2 4.06
&rst
ixpk= 0, nxpk= 0, iat= 122, -1, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,
igr2= 350, 351, 352,
&end
#
# 11 LEU QD1 12 CYM HB3 4.98
&rst
ixpk= 0, nxpk= 0, iat= -1, 145, r1= 1.30, r2= 1.80, r3= 5.98, r4= 6.48,
igr1= 131, 132, 133,
&end
#
# 11 LEU QD1 12 CYM HN 3.73
&rst
ixpk= 0, nxpk= 0, iat= -1, 141, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98,
igr1= 131, 132, 133,
&end
#
# 11 LEU QD1 13 ASP HA 4.61
&rst
ixpk= 0, nxpk= 0, iat= -1, 153, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,
igr1= 131, 132, 133,
&end
#
# 11 LEU QD1 16 GLY HA2 3.59
&rst
ixpk= 0, nxpk= 0, iat= -1, 192, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81,
igr1= 131, 132, 133,
&end
#
# 11 LEU QD1 16 GLY HA3 4.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 193, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr1= 131, 132, 133,
&end
#
# 11 LEU QD1 16 GLY HN 4.32
&rst
ixpk= 0, nxpk= 0, iat= -1, 190, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,
igr1= 131, 132, 133,
&end
#
# 11 LEU QD1 17 LYS HN 4.73
&rst
ixpk= 0, nxpk= 0, iat= -1, 197, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18,
igr1= 131, 132, 133,
&end
#
# 11 LEU QD1 18 LYS HB2 4.93
&rst
ixpk= 0, nxpk= 0, iat= -1, 223, r1= 1.30, r2= 1.80, r3= 5.92, r4= 6.42,
igr1= 131, 132, 133,
&end
#
# 11 LEU QD1 18 LYS HB3 4.84
&rst
ixpk= 0, nxpk= 0, iat= -1, 224, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31,
igr1= 131, 132, 133,
&end
#
# 11 LEU QD1 18 LYS HG2 3.89
&rst
ixpk= 0, nxpk= 0, iat= -1, 226, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,
igr1= 131, 132, 133,
&end
#
# 11 LEU QD1 18 LYS HG3 3.89
&rst
ixpk= 0, nxpk= 0, iat= -1, 227, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,
igr1= 131, 132, 133,
&end
#
# 11 LEU QD1 18 LYS QD 4.28
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.77, r4= 6.27,
igr1= 131, 132, 133,
igr2= 229, 230,
&end
#
# 11 LEU QD1 18 LYS QE 3.68
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,
igr1= 131, 132, 133,
igr2= 232, 233,
&end
#
# 11 LEU QD2 13 ASP HA 4.24
&rst
ixpk= 0, nxpk= 0, iat= -1, 153, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
igr1= 135, 136, 137,
&end
#
# 11 LEU QD2 13 ASP QB 4.72
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 135, 136, 137,
igr2= 155, 156,
&end
#
# 11 LEU QD2 16 GLY HA2 4.59
&rst
ixpk= 0, nxpk= 0, iat= -1, 192, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01,
igr1= 135, 136, 137,
&end
#
# 11 LEU QD2 18 LYS HA 5.20
&rst
ixpk= 0, nxpk= 0, iat= -1, 221, r1= 1.30, r2= 1.80, r3= 6.24, r4= 6.74,
igr1= 135, 136, 137,
&end
#
# 11 LEU QD2 18 LYS HG2 4.63
&rst
ixpk= 0, nxpk= 0, iat= -1, 226, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
igr1= 135, 136, 137,
&end
#
# 11 LEU QD2 18 LYS QE 3.99
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88,
igr1= 135, 136, 137,
igr2= 232, 233,
&end
#
# 12 CYM HA 14 MET HN 4.22
&rst
ixpk= 0, nxpk= 0, iat= 143, 163, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72, &end
#
# 12 CYM HA 25 LEU QD1 3.23
&rst
ixpk= 0, nxpk= 0, iat= 143, -1, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38,
igr2= 346, 347, 348,
&end
#
# 12 CYM HA 25 LEU QD2 4.44
&rst
ixpk= 0, nxpk= 0, iat= 143, -1, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83,
igr2= 350, 351, 352,
&end
#
# 12 CYM HB2 15 CYM HN 4.73
&rst
ixpk= 0, nxpk= 0, iat= 146, 180, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23, &end
#
# 12 CYM HB2 16 GLY HN 4.30
&rst
ixpk= 0, nxpk= 0, iat= 146, 190, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 12 CYM HB2 17 LYS HB2 4.44
&rst
ixpk= 0, nxpk= 0, iat= 146, 201, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94, &end
#
# 12 CYM HB2 17 LYS HB3 4.64
&rst
ixpk= 0, nxpk= 0, iat= 146, 202, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14, &end
#
# 12 CYM HB2 17 LYS HN 3.94
&rst
ixpk= 0, nxpk= 0, iat= 146, 197, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44, &end
#
# 12 CYM HB2 19 PHE QD 4.32
&rst
ixpk= 0, nxpk= 0, iat= 146, -1, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
igr2= 249, 257,
&end
#
# 12 CYM HB2 19 PHE QE 3.48
&rst
ixpk= 0, nxpk= 0, iat= 146, -1, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41,
igr2= 251, 255,
&end
#
# 12 CYM HB2 25 LEU QD1 3.35
&rst
ixpk= 0, nxpk= 0, iat= 146, -1, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52,
igr2= 346, 347, 348,
&end
#
# 12 CYM HB2 28 HIS HD2 3.43
&rst
ixpk= 0, nxpk= 0, iat= 146, 402, r1= 1.30, r2= 1.80, r3= 3.43, r4= 3.93, &end
#
# 12 CYM HB3 14 MET HN 4.34
&rst
ixpk= 0, nxpk= 0, iat= 145, 163, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84, &end
#
# 12 CYM HB3 15 CYM HN 3.47
&rst
ixpk= 0, nxpk= 0, iat= 145, 180, r1= 1.30, r2= 1.80, r3= 3.47, r4= 3.97, &end
#
# 12 CYM HB3 16 GLY HA2 4.86
&rst
ixpk= 0, nxpk= 0, iat= 145, 192, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36, &end
#
# 12 CYM HB3 16 GLY HN 3.59
&rst
ixpk= 0, nxpk= 0, iat= 145, 190, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09, &end
#
# 12 CYM HB3 17 LYS HB2 4.33
&rst
ixpk= 0, nxpk= 0, iat= 145, 201, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83, &end
#
# 12 CYM HB3 17 LYS HB3 4.87
&rst
ixpk= 0, nxpk= 0, iat= 145, 202, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37, &end
#
# 12 CYM HB3 17 LYS HN 3.34
&rst
ixpk= 0, nxpk= 0, iat= 145, 197, r1= 1.30, r2= 1.80, r3= 3.34, r4= 3.84, &end
#
# 12 CYM HB3 19 PHE QD 4.94
&rst
ixpk= 0, nxpk= 0, iat= 145, -1, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,
igr2= 249, 257,
&end
#
# 12 CYM HB3 19 PHE QE 3.84
&rst
ixpk= 0, nxpk= 0, iat= 145, -1, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81,
igr2= 251, 255,
&end
#
# 12 CYM HB3 25 LEU QD1 4.00
&rst
ixpk= 0, nxpk= 0, iat= 145, -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr2= 346, 347, 348,
&end
#
# 12 CYM HB3 28 HIS HD2 4.41
&rst
ixpk= 0, nxpk= 0, iat= 145, 402, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91, &end
#
# 12 CYM HN 12 CYM HB2 3.28
&rst
ixpk= 0, nxpk= 0, iat= 141, 146, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78, &end
#
# 12 CYM HN 12 CYM HB3 3.14
&rst
ixpk= 0, nxpk= 0, iat= 141, 145, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64, &end
#
# 12 CYM HN 16 GLY HN 4.66
&rst
ixpk= 0, nxpk= 0, iat= 141, 190, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16, &end
#
# 12 CYM HN 17 LYS HN 4.32
&rst
ixpk= 0, nxpk= 0, iat= 141, 197, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82, &end
#
# 12 CYM HN 19 PHE HN 5.07
&rst
ixpk= 0, nxpk= 0, iat= 141, 241, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57, &end
#
# 12 CYM HN 19 PHE QD 4.37
&rst
ixpk= 0, nxpk= 0, iat= 141, -1, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,
igr2= 249, 257,
&end
#
# 12 CYM HN 19 PHE QE 4.23
&rst
ixpk= 0, nxpk= 0, iat= 141, -1, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25,
igr2= 251, 255,
&end
#
# 12 CYM HN 25 LEU QD1 3.97
&rst
ixpk= 0, nxpk= 0, iat= 141, -1, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,
igr2= 346, 347, 348,
&end
#
# 13 ASP HA 13 ASP QB 2.98
&rst
ixpk= 0, nxpk= 0, iat= 153, -1, r1= 1.30, r2= 1.80, r3= 3.34, r4= 3.84,
igr2= 155, 156,
&end
#
# 13 ASP HA 16 GLY HN 4.33
&rst
ixpk= 0, nxpk= 0, iat= 153, 190, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83, &end
#
# 13 ASP QB 14 MET HN 4.08
&rst
ixpk= 0, nxpk= 0, iat= -1, 163, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
igr1= 155, 156,
&end
#
# 14 MET HA 14 MET HG2 4.03
&rst
ixpk= 0, nxpk= 0, iat= 165, 170, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53, &end
#
# 14 MET HA 14 MET HG3 4.03
&rst
ixpk= 0, nxpk= 0, iat= 165, 171, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53, &end
#
# 14 MET HA 14 MET QG 3.42
&rst
ixpk= 0, nxpk= 0, iat= 165, -1, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34,
igr2= 170, 171,
&end
#
# 14 MET HB2 14 MET QE 4.36
&rst
ixpk= 0, nxpk= 0, iat= 167, -1, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,
igr2= 174, 175, 176,
&end
#
# 14 MET HB2 15 CYM HN 3.59
&rst
ixpk= 0, nxpk= 0, iat= 167, 180, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09, &end
#
# 14 MET HB2 16 GLY HN 4.53
&rst
ixpk= 0, nxpk= 0, iat= 167, 190, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03, &end
#
# 14 MET HB2 32 HIS HD2 4.34
&rst
ixpk= 0, nxpk= 0, iat= 167, 479, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84, &end
#
# 14 MET HB3 14 MET QE 4.04
&rst
ixpk= 0, nxpk= 0, iat= 168, -1, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
igr2= 174, 175, 176,
&end
#
# 14 MET HB3 15 CYM HN 3.83
&rst
ixpk= 0, nxpk= 0, iat= 168, 180, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33, &end
#
# 14 MET HB3 16 GLY HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= 168, 190, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 14 MET HB3 32 HIS HD2 4.81
&rst
ixpk= 0, nxpk= 0, iat= 168, 479, r1= 1.30, r2= 1.80, r3= 4.81, r4= 5.31, &end
#
# 14 MET HB3 32 HIS HE1 4.64
&rst
ixpk= 0, nxpk= 0, iat= 168, 476, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14, &end
#
# 14 MET HB3 32 HIS QB 4.86
&rst
ixpk= 0, nxpk= 0, iat= 168, -1, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96,
igr2= 470, 471,
&end
#
# 14 MET HG2 15 CYM HN 4.98
&rst
ixpk= 0, nxpk= 0, iat= 170, 180, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48, &end
#
# 14 MET HG3 15 CYM HN 4.98
&rst
ixpk= 0, nxpk= 0, iat= 171, 180, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48, &end
#
# 14 MET HN 14 MET HB2 3.18
&rst
ixpk= 0, nxpk= 0, iat= 163, 167, r1= 1.30, r2= 1.80, r3= 3.18, r4= 3.68, &end
#
# 14 MET HN 14 MET HB3 3.75
&rst
ixpk= 0, nxpk= 0, iat= 163, 168, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25, &end
#
# 14 MET HN 14 MET HG2 3.97
&rst
ixpk= 0, nxpk= 0, iat= 163, 170, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47, &end
#
# 14 MET HN 14 MET HG3 3.97
&rst
ixpk= 0, nxpk= 0, iat= 163, 171, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47, &end
#
# 14 MET HN 14 MET QE 4.85
&rst
ixpk= 0, nxpk= 0, iat= 163, -1, r1= 1.30, r2= 1.80, r3= 5.82, r4= 6.32,
igr2= 174, 175, 176,
&end
#
# 14 MET HN 14 MET QG 3.38
&rst
ixpk= 0, nxpk= 0, iat= 163, -1, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29,
igr2= 170, 171,
&end
#
# 14 MET HN 15 CYM HN 3.02
&rst
ixpk= 0, nxpk= 0, iat= 163, 180, r1= 1.30, r2= 1.80, r3= 3.02, r4= 3.52, &end
#
# 14 MET HN 16 GLY HN 3.95
&rst
ixpk= 0, nxpk= 0, iat= 163, 190, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45, &end
#
# 14 MET QE 29 LYS HA 4.73
&rst
ixpk= 0, nxpk= 0, iat= -1, 408, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18,
igr1= 174, 175, 176,
&end
#
# 14 MET QE 29 LYS HE2 4.53
&rst
ixpk= 0, nxpk= 0, iat= -1, 419, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94,
igr1= 174, 175, 176,
&end
#
# 14 MET QE 29 LYS HE3 4.53
&rst
ixpk= 0, nxpk= 0, iat= -1, 420, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94,
igr1= 174, 175, 176,
&end
#
# 14 MET QE 29 LYS QE 3.95
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82,
igr1= 174, 175, 176,
igr2= 419, 420,
&end
#
# 14 MET QE 32 HIS HD2 4.08
&rst
ixpk= 0, nxpk= 0, iat= -1, 479, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,
igr1= 174, 175, 176,
&end
#
# 14 MET QE 32 HIS QB 3.64
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,
igr1= 174, 175, 176,
igr2= 470, 471,
&end
#
# 14 MET QE 33 THR QG2 4.62
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.66, r4= 7.16,
igr1= 174, 175, 176,
igr2= 489, 490, 491,
&end
#
# 14 MET QG 32 HIS HD2 4.88
&rst
ixpk= 0, nxpk= 0, iat= -1, 479, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98,
igr1= 170, 171,
&end
#
# 14 MET QG 32 HIS QB 4.84
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.10, r4= 6.60,
igr1= 170, 171,
igr2= 470, 471,
&end
#
# 15 CYM HA 32 HIS HE1 4.34
&rst
ixpk= 0, nxpk= 0, iat= 182, 476, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84, &end
#
# 15 CYM HB2 16 GLY HN 4.79
&rst
ixpk= 0, nxpk= 0, iat= 185, 190, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29, &end
#
# 15 CYM HB2 32 HIS HE1 3.85
&rst
ixpk= 0, nxpk= 0, iat= 185, 476, r1= 1.30, r2= 1.80, r3= 3.85, r4= 4.35, &end
#
# 15 CYM HB3 16 GLY HN 4.79
&rst
ixpk= 0, nxpk= 0, iat= 184, 190, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29, &end
#
# 15 CYM HB3 32 HIS HE1 3.85
&rst
ixpk= 0, nxpk= 0, iat= 184, 476, r1= 1.30, r2= 1.80, r3= 3.85, r4= 4.35, &end
#
# 15 CYM HN 15 CYM HB2 4.13
&rst
ixpk= 0, nxpk= 0, iat= 180, 185, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63, &end
#
# 15 CYM HN 15 CYM HB3 4.13
&rst
ixpk= 0, nxpk= 0, iat= 180, 184, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63, &end
#
# 15 CYM HN 15 CYM QB 3.51
&rst
ixpk= 0, nxpk= 0, iat= 180, -1, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44,
igr2= 185, 184,
&end
#
# 15 CYM HN 16 GLY HA2 4.32
&rst
ixpk= 0, nxpk= 0, iat= 180, 192, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82, &end
#
# 15 CYM HN 16 GLY HA3 4.72
&rst
ixpk= 0, nxpk= 0, iat= 180, 193, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, &end
#
# 15 CYM HN 16 GLY HN 2.80
&rst
ixpk= 0, nxpk= 0, iat= 180, 190, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 15 CYM QB 16 GLY HN 4.19
&rst
ixpk= 0, nxpk= 0, iat= -1, 190, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,
igr1= 185, 184,
&end
#
# 15 CYM QB 17 LYS HN 4.74
&rst
ixpk= 0, nxpk= 0, iat= -1, 197, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82,
igr1= 185, 184,
&end
#
# 15 CYM QB 32 HIS HE1 3.04
&rst
ixpk= 0, nxpk= 0, iat= -1, 476, r1= 1.30, r2= 1.80, r3= 3.41, r4= 3.91,
igr1= 185, 184,
&end
#
# 16 GLY HN 17 LYS HN 3.51
&rst
ixpk= 0, nxpk= 0, iat= 190, 197, r1= 1.30, r2= 1.80, r3= 3.51, r4= 4.01, &end
#
# 17 LYS HA 17 LYS HD2 4.88
&rst
ixpk= 0, nxpk= 0, iat= 199, 207, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38, &end
#
# 17 LYS HA 17 LYS HD3 4.88
&rst
ixpk= 0, nxpk= 0, iat= 199, 208, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38, &end
#
# 17 LYS HA 17 LYS HG2 3.50
&rst
ixpk= 0, nxpk= 0, iat= 199, 204, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 17 LYS HA 17 LYS HG3 3.69
&rst
ixpk= 0, nxpk= 0, iat= 199, 205, r1= 1.30, r2= 1.80, r3= 3.69, r4= 4.19, &end
#
# 17 LYS HA 17 LYS QD 4.23
&rst
ixpk= 0, nxpk= 0, iat= 199, -1, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25,
igr2= 207, 208,
&end
#
# 17 LYS HA 18 LYS HB2 4.75
&rst
ixpk= 0, nxpk= 0, iat= 199, 223, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25, &end
#
# 17 LYS HA 18 LYS HB3 5.50
&rst
ixpk= 0, nxpk= 0, iat= 199, 224, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 17 LYS HA 18 LYS HG3 4.75
&rst
ixpk= 0, nxpk= 0, iat= 199, 227, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25, &end
#
# 17 LYS HA 18 LYS HN 2.71
&rst
ixpk= 0, nxpk= 0, iat= 199, 219, r1= 1.30, r2= 1.80, r3= 2.71, r4= 3.21, &end
#
# 17 LYS HB2 17 LYS QE 5.13
&rst
ixpk= 0, nxpk= 0, iat= 201, -1, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26,
igr2= 210, 211,
&end
#
# 17 LYS HB2 18 LYS HN 4.41
&rst
ixpk= 0, nxpk= 0, iat= 201, 219, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91, &end
#
# 17 LYS HB2 19 PHE HZ 4.07
&rst
ixpk= 0, nxpk= 0, iat= 201, 253, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57, &end
#
# 17 LYS HB2 19 PHE QD 5.18
&rst
ixpk= 0, nxpk= 0, iat= 201, -1, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31,
igr2= 249, 257,
&end
#
# 17 LYS HB2 19 PHE QE 3.77
&rst
ixpk= 0, nxpk= 0, iat= 201, -1, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73,
igr2= 251, 255,
&end
#
# 17 LYS HB2 28 HIS HE1 4.64
&rst
ixpk= 0, nxpk= 0, iat= 201, 399, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14, &end
#
# 17 LYS HB3 17 LYS QD 3.38
&rst
ixpk= 0, nxpk= 0, iat= 202, -1, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29,
igr2= 207, 208,
&end
#
# 17 LYS HB3 17 LYS QE 4.28
&rst
ixpk= 0, nxpk= 0, iat= 202, -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr2= 210, 211,
&end
#
# 17 LYS HB3 18 LYS HN 3.55
&rst
ixpk= 0, nxpk= 0, iat= 202, 219, r1= 1.30, r2= 1.80, r3= 3.55, r4= 4.05, &end
#
# 17 LYS HB3 19 PHE HZ 4.02
&rst
ixpk= 0, nxpk= 0, iat= 202, 253, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52, &end
#
# 17 LYS HB3 19 PHE QE 3.95
&rst
ixpk= 0, nxpk= 0, iat= 202, -1, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93,
igr2= 251, 255,
&end
#
# 17 LYS HD2 19 PHE HZ 4.13
&rst
ixpk= 0, nxpk= 0, iat= 207, 253, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63, &end
#
# 17 LYS HD2 28 HIS HE1 4.58
&rst
ixpk= 0, nxpk= 0, iat= 207, 399, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08, &end
#
# 17 LYS HD3 19 PHE HZ 4.13
&rst
ixpk= 0, nxpk= 0, iat= 208, 253, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63, &end
#
# 17 LYS HD3 28 HIS HE1 4.58
&rst
ixpk= 0, nxpk= 0, iat= 208, 399, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08, &end
#
# 17 LYS HG2 17 LYS QE 3.67
&rst
ixpk= 0, nxpk= 0, iat= 204, -1, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62,
igr2= 210, 211,
&end
#
# 17 LYS HG2 18 LYS HN 4.11
&rst
ixpk= 0, nxpk= 0, iat= 204, 219, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61, &end
#
# 17 LYS HG3 17 LYS QE 3.84
&rst
ixpk= 0, nxpk= 0, iat= 205, -1, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81,
igr2= 210, 211,
&end
#
# 17 LYS HG3 19 PHE QE 5.20
&rst
ixpk= 0, nxpk= 0, iat= 205, -1, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
igr2= 251, 255,
&end
#
# 17 LYS HG3 28 HIS HE1 4.68
&rst
ixpk= 0, nxpk= 0, iat= 205, 399, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18, &end
#
# 17 LYS HN 17 LYS HB2 3.16
&rst
ixpk= 0, nxpk= 0, iat= 197, 201, r1= 1.30, r2= 1.80, r3= 3.16, r4= 3.66, &end
#
# 17 LYS HN 17 LYS HB3 3.77
&rst
ixpk= 0, nxpk= 0, iat= 197, 202, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27, &end
#
# 17 LYS HN 17 LYS HG2 4.03
&rst
ixpk= 0, nxpk= 0, iat= 197, 204, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53, &end
#
# 17 LYS HN 17 LYS HG3 3.50
&rst
ixpk= 0, nxpk= 0, iat= 197, 205, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 17 LYS HN 17 LYS QD 5.21
&rst
ixpk= 0, nxpk= 0, iat= 197, -1, r1= 1.30, r2= 1.80, r3= 5.85, r4= 6.35,
igr2= 207, 208,
&end
#
# 17 LYS HN 18 LYS HN 4.62
&rst
ixpk= 0, nxpk= 0, iat= 197, 219, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12, &end
#
# 17 LYS HN 19 PHE QE 4.51
&rst
ixpk= 0, nxpk= 0, iat= 197, -1, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,
igr2= 251, 255,
&end
#
# 17 LYS QD 18 LYS HN 5.27
&rst
ixpk= 0, nxpk= 0, iat= -1, 219, r1= 1.30, r2= 1.80, r3= 5.92, r4= 6.42,
igr1= 207, 208,
&end
#
# 17 LYS QD 19 PHE QE 4.91
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.19, r4= 6.69,
igr1= 207, 208,
igr2= 251, 255,
&end
#
# 17 LYS QE 28 HIS HE1 4.87
&rst
ixpk= 0, nxpk= 0, iat= -1, 399, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
igr1= 210, 211,
&end
#
# 18 LYS HA 18 LYS HG2 3.90
&rst
ixpk= 0, nxpk= 0, iat= 221, 226, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40, &end
#
# 18 LYS HA 18 LYS HG3 4.12
&rst
ixpk= 0, nxpk= 0, iat= 221, 227, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62, &end
#
# 18 LYS HA 19 PHE QD 3.98
&rst
ixpk= 0, nxpk= 0, iat= 221, -1, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97,
igr2= 249, 257,
&end
#
# 18 LYS HB2 18 LYS QD 3.64
&rst
ixpk= 0, nxpk= 0, iat= 223, -1, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59,
igr2= 229, 230,
&end
#
# 18 LYS HB2 18 LYS QE 4.66
&rst
ixpk= 0, nxpk= 0, iat= 223, -1, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73,
igr2= 232, 233,
&end
#
# 18 LYS HB2 19 PHE HN 4.35
&rst
ixpk= 0, nxpk= 0, iat= 223, 241, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85, &end
#
# 18 LYS HB3 18 LYS QD 3.61
&rst
ixpk= 0, nxpk= 0, iat= 224, -1, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55,
igr2= 229, 230,
&end
#
# 18 LYS HB3 18 LYS QE 4.15
&rst
ixpk= 0, nxpk= 0, iat= 224, -1, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,
igr2= 232, 233,
&end
#
# 18 LYS HB3 19 PHE HN 3.65
&rst
ixpk= 0, nxpk= 0, iat= 224, 241, r1= 1.30, r2= 1.80, r3= 3.65, r4= 4.15, &end
#
# 18 LYS HG2 18 LYS QE 3.68
&rst
ixpk= 0, nxpk= 0, iat= 226, -1, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63,
igr2= 232, 233,
&end
#
# 18 LYS HG2 19 PHE HN 4.46
&rst
ixpk= 0, nxpk= 0, iat= 226, 241, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96, &end
#
# 18 LYS HG3 18 LYS QE 3.61
&rst
ixpk= 0, nxpk= 0, iat= 227, -1, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55,
igr2= 232, 233,
&end
#
# 18 LYS HG3 19 PHE HN 4.69
&rst
ixpk= 0, nxpk= 0, iat= 227, 241, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19, &end
#
# 18 LYS HN 18 LYS HB2 3.07
&rst
ixpk= 0, nxpk= 0, iat= 219, 223, r1= 1.30, r2= 1.80, r3= 3.07, r4= 3.57, &end
#
# 18 LYS HN 18 LYS HB3 3.61
&rst
ixpk= 0, nxpk= 0, iat= 219, 224, r1= 1.30, r2= 1.80, r3= 3.61, r4= 4.11, &end
#
# 18 LYS HN 18 LYS HG2 4.49
&rst
ixpk= 0, nxpk= 0, iat= 219, 226, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99, &end
#
# 18 LYS HN 18 LYS HG3 3.89
&rst
ixpk= 0, nxpk= 0, iat= 219, 227, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39, &end
#
# 18 LYS HN 18 LYS QD 4.00
&rst
ixpk= 0, nxpk= 0, iat= 219, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2= 229, 230,
&end
#
# 18 LYS HN 19 PHE HN 4.60
&rst
ixpk= 0, nxpk= 0, iat= 219, 241, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, &end
#
# 19 PHE HA 19 PHE QD 3.69
&rst
ixpk= 0, nxpk= 0, iat= 243, -1, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64,
igr2= 249, 257,
&end
#
# 19 PHE HB2 21 SER HN 4.23
&rst
ixpk= 0, nxpk= 0, iat= 245, 283, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73, &end
#
# 19 PHE HB2 24 THR HB 4.55
&rst
ixpk= 0, nxpk= 0, iat= 245, 327, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05, &end
#
# 19 PHE HB2 24 THR QG2 5.20
&rst
ixpk= 0, nxpk= 0, iat= 245, -1, r1= 1.30, r2= 1.80, r3= 6.24, r4= 6.74,
igr2= 329, 330, 331,
&end
#
# 19 PHE HB2 25 LEU HA 4.64
&rst
ixpk= 0, nxpk= 0, iat= 245, 339, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14, &end
#
# 19 PHE HB2 25 LEU HB2 3.90
&rst
ixpk= 0, nxpk= 0, iat= 245, 341, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40, &end
#
# 19 PHE HB2 25 LEU HB3 4.43
&rst
ixpk= 0, nxpk= 0, iat= 245, 342, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93, &end
#
# 19 PHE HB2 25 LEU HN 4.35
&rst
ixpk= 0, nxpk= 0, iat= 245, 337, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85, &end
#
# 19 PHE HB2 25 LEU QD1 3.96
&rst
ixpk= 0, nxpk= 0, iat= 245, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr2= 346, 347, 348,
&end
#
# 19 PHE HB2 25 LEU QD2 4.72
&rst
ixpk= 0, nxpk= 0, iat= 245, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr2= 350, 351, 352,
&end
#
# 19 PHE HB3 21 SER HN 3.54
&rst
ixpk= 0, nxpk= 0, iat= 246, 283, r1= 1.30, r2= 1.80, r3= 3.54, r4= 4.04, &end
#
# 19 PHE HB3 24 THR HB 4.12
&rst
ixpk= 0, nxpk= 0, iat= 246, 327, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62, &end
#
# 19 PHE HB3 24 THR QG2 4.24
&rst
ixpk= 0, nxpk= 0, iat= 246, -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
igr2= 329, 330, 331,
&end
#
# 19 PHE HB3 25 LEU HA 4.44
&rst
ixpk= 0, nxpk= 0, iat= 246, 339, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94, &end
#
# 19 PHE HB3 25 LEU HB2 4.01
&rst
ixpk= 0, nxpk= 0, iat= 246, 341, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51, &end
#
# 19 PHE HB3 25 LEU HB3 4.65
&rst
ixpk= 0, nxpk= 0, iat= 246, 342, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15, &end
#
# 19 PHE HB3 25 LEU HN 4.16
&rst
ixpk= 0, nxpk= 0, iat= 246, 337, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66, &end
#
# 19 PHE HB3 25 LEU QD1 4.58
&rst
ixpk= 0, nxpk= 0, iat= 246, -1, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
igr2= 346, 347, 348,
&end
#
# 19 PHE HN 19 PHE HB2 3.35
&rst
ixpk= 0, nxpk= 0, iat= 241, 245, r1= 1.30, r2= 1.80, r3= 3.35, r4= 3.85, &end
#
# 19 PHE HN 19 PHE HB3 3.99
&rst
ixpk= 0, nxpk= 0, iat= 241, 246, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49, &end
#
# 19 PHE HN 19 PHE QD 3.23
&rst
ixpk= 0, nxpk= 0, iat= 241, -1, r1= 1.30, r2= 1.80, r3= 3.63, r4= 4.13,
igr2= 249, 257,
&end
#
# 19 PHE HN 19 PHE QE 4.93
&rst
ixpk= 0, nxpk= 0, iat= 241, -1, r1= 1.30, r2= 1.80, r3= 5.53, r4= 6.03,
igr2= 251, 255,
&end
#
# 19 PHE HN 25 LEU QD1 4.99
&rst
ixpk= 0, nxpk= 0, iat= 241, -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr2= 346, 347, 348,
&end
#
# 19 PHE HZ 25 LEU QD1 5.04
&rst
ixpk= 0, nxpk= 0, iat= 253, -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
igr2= 346, 347, 348,
&end
#
# 19 PHE HZ 28 HIS HB2 4.40
&rst
ixpk= 0, nxpk= 0, iat= 253, 393, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90, &end
#
# 19 PHE HZ 28 HIS HB3 4.62
&rst
ixpk= 0, nxpk= 0, iat= 253, 394, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12, &end
#
# 19 PHE HZ 28 HIS HD2 4.53
&rst
ixpk= 0, nxpk= 0, iat= 253, 402, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03, &end
#
# 19 PHE HZ 28 HIS HE1 4.18
&rst
ixpk= 0, nxpk= 0, iat= 253, 399, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68, &end
#
# 19 PHE QD 19 PHE HZ 4.21
&rst
ixpk= 0, nxpk= 0, iat= -1, 253, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,
igr1= 249, 257,
&end
#
# 19 PHE QD 24 THR HB 3.69
&rst
ixpk= 0, nxpk= 0, iat= -1, 327, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64,
igr1= 249, 257,
&end
#
# 19 PHE QD 24 THR QG2 3.72
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51,
igr1= 249, 257,
igr2= 329, 330, 331,
&end
#
# 19 PHE QD 25 LEU HA 4.18
&rst
ixpk= 0, nxpk= 0, iat= -1, 339, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19,
igr1= 249, 257,
&end
#
# 19 PHE QD 25 LEU HB2 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 341, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 249, 257,
&end
#
# 19 PHE QD 25 LEU HB3 4.67
&rst
ixpk= 0, nxpk= 0, iat= -1, 342, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,
igr1= 249, 257,
&end
#
# 19 PHE QD 25 LEU HG 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 344, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 249, 257,
&end
#
# 19 PHE QD 25 LEU HN 4.73
&rst
ixpk= 0, nxpk= 0, iat= -1, 337, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,
igr1= 249, 257,
&end
#
# 19 PHE QD 25 LEU QD1 3.32
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98,
igr1= 249, 257,
igr2= 346, 347, 348,
&end
#
# 19 PHE QD 25 LEU QD2 4.63
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.24, r4= 6.74,
igr1= 249, 257,
igr2= 350, 351, 352,
&end
#
# 19 PHE QE 24 THR QG2 4.36
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
igr1= 251, 255,
igr2= 329, 330, 331,
&end
#
# 19 PHE QE 25 LEU HA 4.85
&rst
ixpk= 0, nxpk= 0, iat= -1, 339, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94,
igr1= 251, 255,
&end
#
# 19 PHE QE 25 LEU QD1 3.76
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,
igr1= 251, 255,
igr2= 346, 347, 348,
&end
#
# 19 PHE QE 28 HIS HB2 4.15
&rst
ixpk= 0, nxpk= 0, iat= -1, 393, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,
igr1= 251, 255,
&end
#
# 19 PHE QE 28 HIS HB3 4.55
&rst
ixpk= 0, nxpk= 0, iat= -1, 394, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61,
igr1= 251, 255,
&end
#
# 19 PHE QE 28 HIS HE1 5.13
&rst
ixpk= 0, nxpk= 0, iat= -1, 399, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26,
igr1= 251, 255,
&end
#
# 20 LYS HA 20 LYS QD 4.57
&rst
ixpk= 0, nxpk= 0, iat= 263, -1, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63,
igr2= 271, 272,
&end
#
# 20 LYS HA 20 LYS QG 3.83
&rst
ixpk= 0, nxpk= 0, iat= 263, -1, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,
igr2= 268, 269,
&end
#
# 20 LYS HB2 20 LYS QD 3.98
&rst
ixpk= 0, nxpk= 0, iat= 265, -1, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97,
igr2= 271, 272,
&end
#
# 20 LYS HB2 21 SER HN 4.63
&rst
ixpk= 0, nxpk= 0, iat= 265, 283, r1= 1.30, r2= 1.80, r3= 4.63, r4= 5.13, &end
#
# 20 LYS HB3 20 LYS QD 3.98
&rst
ixpk= 0, nxpk= 0, iat= 266, -1, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97,
igr2= 271, 272,
&end
#
# 20 LYS HB3 21 SER HN 4.63
&rst
ixpk= 0, nxpk= 0, iat= 266, 283, r1= 1.30, r2= 1.80, r3= 4.63, r4= 5.13, &end
#
# 20 LYS QB 21 SER HN 3.96
&rst
ixpk= 0, nxpk= 0, iat= -1, 283, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
igr1= 265, 266,
&end
#
# 20 LYS QG 20 LYS QD 2.70
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90,
igr1= 268, 269,
igr2= 271, 272,
&end
#
# 20 LYS QG 20 LYS QE 3.85
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
igr1= 268, 269,
igr2= 274, 275,
&end
#
# 20 LYS QG 21 SER HN 4.64
&rst
ixpk= 0, nxpk= 0, iat= -1, 283, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71,
igr1= 268, 269,
&end
#
# 20 LYS QG 21 SER QB 4.65
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36,
igr1= 268, 269,
igr2= 287, 288,
&end
#
# 21 SER HN 24 THR HB 4.09
&rst
ixpk= 0, nxpk= 0, iat= 283, 327, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59, &end
#
# 21 SER HN 24 THR QG2 4.68
&rst
ixpk= 0, nxpk= 0, iat= 283, -1, r1= 1.30, r2= 1.80, r3= 5.62, r4= 6.12,
igr2= 329, 330, 331,
&end
#
# 21 SER QB 24 THR HB 4.78
&rst
ixpk= 0, nxpk= 0, iat= -1, 327, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,
igr1= 287, 288,
&end
#
# 21 SER QB 24 THR QG2 4.73
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.38, r4= 6.88,
igr1= 287, 288,
igr2= 329, 330, 331,
&end
#
# 22 LYS HA 22 LYS HG2 4.00
&rst
ixpk= 0, nxpk= 0, iat= 296, 301, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 22 LYS HA 22 LYS HG3 4.00
&rst
ixpk= 0, nxpk= 0, iat= 296, 302, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 22 LYS HA 22 LYS QD 4.61
&rst
ixpk= 0, nxpk= 0, iat= 296, -1, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67,
igr2= 304, 305,
&end
#
# 22 LYS HA 25 LEU HB3 3.38
&rst
ixpk= 0, nxpk= 0, iat= 296, 342, r1= 1.30, r2= 1.80, r3= 3.38, r4= 3.88, &end
#
# 22 LYS HA 25 LEU HG 5.08
&rst
ixpk= 0, nxpk= 0, iat= 296, 344, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58, &end
#
# 22 LYS HA 25 LEU HN 4.15
&rst
ixpk= 0, nxpk= 0, iat= 296, 337, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65, &end
#
# 22 LYS HA 25 LEU QD2 3.93
&rst
ixpk= 0, nxpk= 0, iat= 296, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2= 350, 351, 352,
&end
#
# 22 LYS HA 26 LYS HN 4.40
&rst
ixpk= 0, nxpk= 0, iat= 296, 356, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90, &end
#
# 22 LYS QB 22 LYS QE 4.69
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.91, r4= 6.41,
igr1= 298, 299,
igr2= 307, 308,
&end
#
# 22 LYS QB 23 GLY HA2 5.16
&rst
ixpk= 0, nxpk= 0, iat= -1, 318, r1= 1.30, r2= 1.80, r3= 5.79, r4= 6.29,
igr1= 298, 299,
&end
#
# 22 LYS QB 23 GLY HA3 5.16
&rst
ixpk= 0, nxpk= 0, iat= -1, 319, r1= 1.30, r2= 1.80, r3= 5.79, r4= 6.29,
igr1= 298, 299,
&end
#
# 22 LYS QB 23 GLY QA 4.38
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02,
igr1= 298, 299,
igr2= 318, 319,
&end
#
# 22 LYS QB 25 LEU QD2 4.49
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
igr1= 298, 299,
igr2= 350, 351, 352,
&end
#
# 22 LYS QB 26 LYS HN 5.20
&rst
ixpk= 0, nxpk= 0, iat= -1, 356, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
igr1= 298, 299,
&end
#
# 22 LYS QB 26 LYS QB 4.58
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.77, r4= 6.27,
igr1= 298, 299,
igr2= 360, 361,
&end
#
# 22 LYS QG 22 LYS QE 3.67
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
igr1= 301, 302,
igr2= 307, 308,
&end
#
# 23 GLY HA2 26 LYS QB 4.24
&rst
ixpk= 0, nxpk= 0, iat= 318, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr2= 360, 361,
&end
#
# 23 GLY HA2 26 LYS QD 5.50
&rst
ixpk= 0, nxpk= 0, iat= 318, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 366, 367,
&end
#
# 23 GLY HA3 26 LYS QB 4.24
&rst
ixpk= 0, nxpk= 0, iat= 319, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr2= 360, 361,
&end
#
# 23 GLY HA3 26 LYS QD 5.50
&rst
ixpk= 0, nxpk= 0, iat= 319, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 366, 367,
&end
#
# 23 GLY QA 26 LYS HN 3.92
&rst
ixpk= 0, nxpk= 0, iat= -1, 356, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,
igr1= 318, 319,
&end
#
# 23 GLY QA 26 LYS QB 3.42
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81,
igr1= 318, 319,
igr2= 360, 361,
&end
#
# 23 GLY QA 26 LYS QD 4.68
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,
igr1= 318, 319,
igr2= 366, 367,
&end
#
# 24 THR HA 24 THR QG2 3.12
&rst
ixpk= 0, nxpk= 0, iat= 325, -1, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25,
igr2= 329, 330, 331,
&end
#
# 24 THR HA 25 LEU HA 4.88
&rst
ixpk= 0, nxpk= 0, iat= 325, 339, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38, &end
#
# 24 THR HA 26 LYS HN 4.62
&rst
ixpk= 0, nxpk= 0, iat= 325, 356, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12, &end
#
# 24 THR HA 27 SER HN 4.13
&rst
ixpk= 0, nxpk= 0, iat= 325, 378, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63, &end
#
# 24 THR HB 25 LEU HN 3.79
&rst
ixpk= 0, nxpk= 0, iat= 327, 337, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29, &end
#
# 24 THR HN 25 LEU HN 4.24
&rst
ixpk= 0, nxpk= 0, iat= 323, 337, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74, &end
#
# 24 THR QG2 25 LEU HB3 5.39
&rst
ixpk= 0, nxpk= 0, iat= -1, 342, r1= 1.30, r2= 1.80, r3= 6.47, r4= 6.97,
igr1= 329, 330, 331,
&end
#
# 24 THR QG2 25 LEU HN 4.70
&rst
ixpk= 0, nxpk= 0, iat= -1, 337, r1= 1.30, r2= 1.80, r3= 5.64, r4= 6.14,
igr1= 329, 330, 331,
&end
#
# 24 THR QG2 27 SER QB 4.37
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.89, r4= 6.39,
igr1= 329, 330, 331,
igr2= 382, 383,
&end
#
# 24 THR QG2 28 HIS HB2 5.43
&rst
ixpk= 0, nxpk= 0, iat= -1, 393, r1= 1.30, r2= 1.80, r3= 6.52, r4= 7.02,
igr1= 329, 330, 331,
&end
#
# 25 LEU HA 25 LEU HG 3.96
&rst
ixpk= 0, nxpk= 0, iat= 339, 344, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46, &end
#
# 25 LEU HA 25 LEU QD1 3.15
&rst
ixpk= 0, nxpk= 0, iat= 339, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr2= 346, 347, 348,
&end
#
# 25 LEU HA 25 LEU QD2 4.26
&rst
ixpk= 0, nxpk= 0, iat= 339, -1, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
igr2= 350, 351, 352,
&end
#
# 25 LEU HA 28 HIS HB2 3.90
&rst
ixpk= 0, nxpk= 0, iat= 339, 393, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40, &end
#
# 25 LEU HA 28 HIS HB3 3.43
&rst
ixpk= 0, nxpk= 0, iat= 339, 394, r1= 1.30, r2= 1.80, r3= 3.43, r4= 3.93, &end
#
# 25 LEU HA 28 HIS HD2 4.64
&rst
ixpk= 0, nxpk= 0, iat= 339, 402, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14, &end
#
# 25 LEU HA 28 HIS HN 3.78
&rst
ixpk= 0, nxpk= 0, iat= 339, 389, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28, &end
#
# 25 LEU HA 29 LYS HN 4.42
&rst
ixpk= 0, nxpk= 0, iat= 339, 406, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92, &end
#
# 25 LEU HB2 25 LEU QD1 3.38
&rst
ixpk= 0, nxpk= 0, iat= 341, -1, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56,
igr2= 346, 347, 348,
&end
#
# 25 LEU HB2 25 LEU QD2 3.38
&rst
ixpk= 0, nxpk= 0, iat= 341, -1, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56,
igr2= 350, 351, 352,
&end
#
# 25 LEU HB2 26 LYS HN 4.23
&rst
ixpk= 0, nxpk= 0, iat= 341, 356, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73, &end
#
# 25 LEU HB3 25 LEU QD1 3.30
&rst
ixpk= 0, nxpk= 0, iat= 342, -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
igr2= 346, 347, 348,
&end
#
# 25 LEU HB3 25 LEU QD2 3.32
&rst
ixpk= 0, nxpk= 0, iat= 342, -1, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49,
igr2= 350, 351, 352,
&end
#
# 25 LEU HB3 26 LYS HN 3.11
&rst
ixpk= 0, nxpk= 0, iat= 342, 356, r1= 1.30, r2= 1.80, r3= 3.11, r4= 3.61, &end
#
# 25 LEU HG 26 LYS HA 3.84
&rst
ixpk= 0, nxpk= 0, iat= 344, 358, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34, &end
#
# 25 LEU HG 26 LYS HN 3.63
&rst
ixpk= 0, nxpk= 0, iat= 344, 356, r1= 1.30, r2= 1.80, r3= 3.63, r4= 4.13, &end
#
# 25 LEU HG 29 LYS HD2 4.70
&rst
ixpk= 0, nxpk= 0, iat= 344, 416, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, &end
#
# 25 LEU HG 29 LYS HD3 4.70
&rst
ixpk= 0, nxpk= 0, iat= 344, 417, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, &end
#
# 25 LEU HG 29 LYS HN 4.65
&rst
ixpk= 0, nxpk= 0, iat= 344, 406, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15, &end
#
# 25 LEU HG 29 LYS QE 4.42
&rst
ixpk= 0, nxpk= 0, iat= 344, -1, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,
igr2= 419, 420,
&end
#
# 25 LEU HG 29 LYS QG 4.48
&rst
ixpk= 0, nxpk= 0, iat= 344, -1, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,
igr2= 413, 414,
&end
#
# 25 LEU HN 25 LEU HB2 3.22
&rst
ixpk= 0, nxpk= 0, iat= 337, 341, r1= 1.30, r2= 1.80, r3= 3.22, r4= 3.72, &end
#
# 25 LEU HN 25 LEU HB3 3.07
&rst
ixpk= 0, nxpk= 0, iat= 337, 342, r1= 1.30, r2= 1.80, r3= 3.07, r4= 3.57, &end
#
# 25 LEU HN 25 LEU HG 4.35
&rst
ixpk= 0, nxpk= 0, iat= 337, 344, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85, &end
#
# 25 LEU HN 25 LEU QD1 4.45
&rst
ixpk= 0, nxpk= 0, iat= 337, -1, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
igr2= 346, 347, 348,
&end
#
# 25 LEU HN 25 LEU QD2 4.13
&rst
ixpk= 0, nxpk= 0, iat= 337, -1, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,
igr2= 350, 351, 352,
&end
#
# 25 LEU HN 26 LYS HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= 337, 358, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 25 LEU HN 26 LYS HN 3.29
&rst
ixpk= 0, nxpk= 0, iat= 337, 356, r1= 1.30, r2= 1.80, r3= 3.29, r4= 3.79, &end
#
# 25 LEU HN 27 SER QB 5.50
&rst
ixpk= 0, nxpk= 0, iat= 337, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 382, 383,
&end
#
# 25 LEU QD1 26 LYS HA 4.59
&rst
ixpk= 0, nxpk= 0, iat= -1, 358, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01,
igr1= 346, 347, 348,
&end
#
# 25 LEU QD1 26 LYS HN 4.47
&rst
ixpk= 0, nxpk= 0, iat= -1, 356, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,
igr1= 346, 347, 348,
&end
#
# 25 LEU QD1 28 HIS HB2 4.85
&rst
ixpk= 0, nxpk= 0, iat= -1, 393, r1= 1.30, r2= 1.80, r3= 5.82, r4= 6.32,
igr1= 346, 347, 348,
&end
#
# 25 LEU QD1 28 HIS HB3 3.97
&rst
ixpk= 0, nxpk= 0, iat= -1, 394, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,
igr1= 346, 347, 348,
&end
#
# 25 LEU QD1 28 HIS HD2 3.38
&rst
ixpk= 0, nxpk= 0, iat= -1, 402, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56,
igr1= 346, 347, 348,
&end
#
# 25 LEU QD1 28 HIS HN 4.90
&rst
ixpk= 0, nxpk= 0, iat= -1, 389, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
igr1= 346, 347, 348,
&end
#
# 25 LEU QD1 29 LYS HA 4.68
&rst
ixpk= 0, nxpk= 0, iat= -1, 408, r1= 1.30, r2= 1.80, r3= 5.62, r4= 6.12,
igr1= 346, 347, 348,
&end
#
# 25 LEU QD1 29 LYS HD2 4.26
&rst
ixpk= 0, nxpk= 0, iat= -1, 416, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
igr1= 346, 347, 348,
&end
#
# 25 LEU QD1 29 LYS HD3 4.26
&rst
ixpk= 0, nxpk= 0, iat= -1, 417, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
igr1= 346, 347, 348,
&end
#
# 25 LEU QD1 29 LYS HE2 4.36
&rst
ixpk= 0, nxpk= 0, iat= -1, 419, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,
igr1= 346, 347, 348,
&end
#
# 25 LEU QD1 29 LYS HE3 4.36
&rst
ixpk= 0, nxpk= 0, iat= -1, 420, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,
igr1= 346, 347, 348,
&end
#
# 25 LEU QD1 29 LYS HG2 4.03
&rst
ixpk= 0, nxpk= 0, iat= -1, 413, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,
igr1= 346, 347, 348,
&end
#
# 25 LEU QD1 29 LYS HG3 4.03
&rst
ixpk= 0, nxpk= 0, iat= -1, 414, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,
igr1= 346, 347, 348,
&end
#
# 25 LEU QD1 29 LYS HN 4.17
&rst
ixpk= 0, nxpk= 0, iat= -1, 406, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51,
igr1= 346, 347, 348,
&end
#
# 25 LEU QD1 29 LYS QB 4.31
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31,
igr1= 346, 347, 348,
igr2= 410, 411,
&end
#
# 25 LEU QD1 29 LYS QE 3.79
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61,
igr1= 346, 347, 348,
igr2= 419, 420,
&end
#
# 25 LEU QD2 26 LYS HA 4.86
&rst
ixpk= 0, nxpk= 0, iat= -1, 358, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
igr1= 350, 351, 352,
&end
#
# 25 LEU QD2 26 LYS HN 4.34
&rst
ixpk= 0, nxpk= 0, iat= -1, 356, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71,
igr1= 350, 351, 352,
&end
#
# 25 LEU QD2 29 LYS HD2 4.84
&rst
ixpk= 0, nxpk= 0, iat= -1, 416, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31,
igr1= 350, 351, 352,
&end
#
# 25 LEU QD2 29 LYS HD3 4.84
&rst
ixpk= 0, nxpk= 0, iat= -1, 417, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31,
igr1= 350, 351, 352,
&end
#
# 25 LEU QD2 29 LYS HE2 4.74
&rst
ixpk= 0, nxpk= 0, iat= -1, 419, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
igr1= 350, 351, 352,
&end
#
# 25 LEU QD2 29 LYS HE3 4.74
&rst
ixpk= 0, nxpk= 0, iat= -1, 420, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
igr1= 350, 351, 352,
&end
#
# 25 LEU QD2 29 LYS QD 4.18
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13,
igr1= 350, 351, 352,
igr2= 416, 417,
&end
#
# 25 LEU QD2 29 LYS QE 4.03
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,
igr1= 350, 351, 352,
igr2= 419, 420,
&end
#
# 26 LYS HA 26 LYS HG2 4.04
&rst
ixpk= 0, nxpk= 0, iat= 358, 363, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54, &end
#
# 26 LYS HA 26 LYS HG3 4.04
&rst
ixpk= 0, nxpk= 0, iat= 358, 364, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54, &end
#
# 26 LYS HA 26 LYS QD 4.23
&rst
ixpk= 0, nxpk= 0, iat= 358, -1, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25,
igr2= 366, 367,
&end
#
# 26 LYS HA 26 LYS QE 5.18
&rst
ixpk= 0, nxpk= 0, iat= 358, -1, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31,
igr2= 369, 370,
&end
#
# 26 LYS HA 26 LYS QG 3.55
&rst
ixpk= 0, nxpk= 0, iat= 358, -1, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48,
igr2= 363, 364,
&end
#
# 26 LYS HA 28 HIS HB3 5.50
&rst
ixpk= 0, nxpk= 0, iat= 358, 394, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 26 LYS HA 29 LYS HD2 5.02
&rst
ixpk= 0, nxpk= 0, iat= 358, 416, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52, &end
#
# 26 LYS HA 29 LYS HD3 5.02
&rst
ixpk= 0, nxpk= 0, iat= 358, 417, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52, &end
#
# 26 LYS HA 29 LYS HN 3.89
&rst
ixpk= 0, nxpk= 0, iat= 358, 406, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39, &end
#
# 26 LYS HA 29 LYS QB 3.15
&rst
ixpk= 0, nxpk= 0, iat= 358, -1, r1= 1.30, r2= 1.80, r3= 3.54, r4= 4.04,
igr2= 410, 411,
&end
#
# 26 LYS HA 29 LYS QD 4.40
&rst
ixpk= 0, nxpk= 0, iat= 358, -1, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
igr2= 416, 417,
&end
#
# 26 LYS HA 29 LYS QG 4.62
&rst
ixpk= 0, nxpk= 0, iat= 358, -1, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,
igr2= 413, 414,
&end
#
# 26 LYS HA 30 LEU HG 5.50
&rst
ixpk= 0, nxpk= 0, iat= 358, 435, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 26 LYS HA 30 LEU HN 4.55
&rst
ixpk= 0, nxpk= 0, iat= 358, 428, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05, &end
#
# 26 LYS HA 30 LEU QD1 5.35
&rst
ixpk= 0, nxpk= 0, iat= 358, -1, r1= 1.30, r2= 1.80, r3= 6.43, r4= 6.93,
igr2= 437, 438, 439,
&end
#
# 26 LYS HG2 26 LYS QE 4.08
&rst
ixpk= 0, nxpk= 0, iat= 363, -1, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
igr2= 369, 370,
&end
#
# 26 LYS HG2 27 SER HN 4.57
&rst
ixpk= 0, nxpk= 0, iat= 363, 378, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07, &end
#
# 26 LYS HG3 26 LYS QE 4.08
&rst
ixpk= 0, nxpk= 0, iat= 364, -1, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
igr2= 369, 370,
&end
#
# 26 LYS HG3 27 SER HN 4.57
&rst
ixpk= 0, nxpk= 0, iat= 364, 378, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07, &end
#
# 26 LYS HN 26 LYS QB 2.81
&rst
ixpk= 0, nxpk= 0, iat= 356, -1, r1= 1.30, r2= 1.80, r3= 3.15, r4= 3.65,
igr2= 360, 361,
&end
#
# 26 LYS HN 26 LYS QD 5.50
&rst
ixpk= 0, nxpk= 0, iat= 356, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 366, 367,
&end
#
# 26 LYS HN 26 LYS QE 5.50
&rst
ixpk= 0, nxpk= 0, iat= 356, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 369, 370,
&end
#
# 26 LYS HN 26 LYS QG 4.71
&rst
ixpk= 0, nxpk= 0, iat= 356, -1, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79,
igr2= 363, 364,
&end
#
# 26 LYS HN 27 SER HN 3.36
&rst
ixpk= 0, nxpk= 0, iat= 356, 378, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86, &end
#
# 26 LYS HN 28 HIS HB3 5.50
&rst
ixpk= 0, nxpk= 0, iat= 356, 394, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 26 LYS HN 28 HIS HN 4.63
&rst
ixpk= 0, nxpk= 0, iat= 356, 389, r1= 1.30, r2= 1.80, r3= 4.63, r4= 5.13, &end
#
# 26 LYS QB 26 LYS QD 3.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 360, 361,
igr2= 366, 367,
&end
#
# 26 LYS QB 26 LYS QE 4.19
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
igr1= 360, 361,
igr2= 369, 370,
&end
#
# 26 LYS QB 27 SER HA 4.55
&rst
ixpk= 0, nxpk= 0, iat= -1, 380, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61,
igr1= 360, 361,
&end
#
# 26 LYS QB 27 SER HN 3.22
&rst
ixpk= 0, nxpk= 0, iat= -1, 378, r1= 1.30, r2= 1.80, r3= 3.61, r4= 4.11,
igr1= 360, 361,
&end
#
# 26 LYS QB 27 SER QB 4.80
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
igr1= 360, 361,
igr2= 382, 383,
&end
#
# 26 LYS QE 27 SER HN 5.46
&rst
ixpk= 0, nxpk= 0, iat= -1, 378, r1= 1.30, r2= 1.80, r3= 6.13, r4= 6.63,
igr1= 369, 370,
&end
#
# 26 LYS QG 26 LYS QE 3.47
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87,
igr1= 363, 364,
igr2= 369, 370,
&end
#
# 26 LYS QG 27 SER HA 5.27
&rst
ixpk= 0, nxpk= 0, iat= -1, 380, r1= 1.30, r2= 1.80, r3= 5.92, r4= 6.42,
igr1= 363, 364,
&end
#
# 26 LYS QG 27 SER HN 3.96
&rst
ixpk= 0, nxpk= 0, iat= -1, 378, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
igr1= 363, 364,
&end
#
# 26 LYS QG 28 HIS HN 4.91
&rst
ixpk= 0, nxpk= 0, iat= -1, 389, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01,
igr1= 363, 364,
&end
#
# 27 SER HA 30 LEU HB2 3.89
&rst
ixpk= 0, nxpk= 0, iat= 380, 432, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39, &end
#
# 27 SER HA 30 LEU HB3 5.50
&rst
ixpk= 0, nxpk= 0, iat= 380, 433, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 27 SER HA 30 LEU HG 3.83
&rst
ixpk= 0, nxpk= 0, iat= 380, 435, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33, &end
#
# 27 SER HA 30 LEU HN 4.47
&rst
ixpk= 0, nxpk= 0, iat= 380, 428, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97, &end
#
# 27 SER HA 30 LEU QD1 3.35
&rst
ixpk= 0, nxpk= 0, iat= 380, -1, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52,
igr2= 437, 438, 439,
&end
#
# 27 SER HN 27 SER QB 2.96
&rst
ixpk= 0, nxpk= 0, iat= 378, -1, r1= 1.30, r2= 1.80, r3= 3.32, r4= 3.82,
igr2= 382, 383,
&end
#
# 27 SER HN 28 HIS HB3 5.50
&rst
ixpk= 0, nxpk= 0, iat= 378, 394, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 27 SER HN 29 LYS HN 4.61
&rst
ixpk= 0, nxpk= 0, iat= 378, 406, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11, &end
#
# 27 SER HN 30 LEU QD1 4.69
&rst
ixpk= 0, nxpk= 0, iat= 378, -1, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13,
igr2= 437, 438, 439,
&end
#
# 27 SER QB 28 HIS HA 4.79
&rst
ixpk= 0, nxpk= 0, iat= -1, 391, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88,
igr1= 382, 383,
&end
#
# 27 SER QB 28 HIS HB2 4.95
&rst
ixpk= 0, nxpk= 0, iat= -1, 393, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
igr1= 382, 383,
&end
#
# 27 SER QB 28 HIS HB3 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 394, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 382, 383,
&end
#
# 27 SER QB 28 HIS HN 3.35
&rst
ixpk= 0, nxpk= 0, iat= -1, 389, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26,
igr1= 382, 383,
&end
#
# 27 SER QB 30 LEU QD1 4.25
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.73, r4= 6.23,
igr1= 382, 383,
igr2= 437, 438, 439,
&end
#
# 28 HIS HA 29 LYS HA 5.26
&rst
ixpk= 0, nxpk= 0, iat= 391, 408, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76, &end
#
# 28 HIS HA 31 LEU HB2 4.56
&rst
ixpk= 0, nxpk= 0, iat= 391, 451, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06, &end
#
# 28 HIS HA 31 LEU HG 4.08
&rst
ixpk= 0, nxpk= 0, iat= 391, 454, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58, &end
#
# 28 HIS HA 31 LEU HN 3.93
&rst
ixpk= 0, nxpk= 0, iat= 391, 447, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, &end
#
# 28 HIS HA 31 LEU QD1 3.85
&rst
ixpk= 0, nxpk= 0, iat= 391, -1, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
igr2= 456, 457, 458,
&end
#
# 28 HIS HB2 29 LYS HN 4.17
&rst
ixpk= 0, nxpk= 0, iat= 393, 406, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67, &end
#
# 28 HIS HB3 28 HIS HD2 3.89
&rst
ixpk= 0, nxpk= 0, iat= 394, 402, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39, &end
#
# 28 HIS HB3 29 LYS HN 3.46
&rst
ixpk= 0, nxpk= 0, iat= 394, 406, r1= 1.30, r2= 1.80, r3= 3.46, r4= 3.96, &end
#
# 28 HIS HB3 29 LYS QB 4.77
&rst
ixpk= 0, nxpk= 0, iat= 394, -1, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85,
igr2= 410, 411,
&end
#
# 28 HIS HD2 29 LYS HA 3.83
&rst
ixpk= 0, nxpk= 0, iat= 402, 408, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33, &end
#
# 28 HIS HD2 29 LYS HG2 4.19
&rst
ixpk= 0, nxpk= 0, iat= 402, 413, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69, &end
#
# 28 HIS HD2 29 LYS HG3 4.19
&rst
ixpk= 0, nxpk= 0, iat= 402, 414, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69, &end
#
# 28 HIS HD2 29 LYS HN 4.06
&rst
ixpk= 0, nxpk= 0, iat= 402, 406, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56, &end
#
# 28 HIS HD2 29 LYS QB 4.75
&rst
ixpk= 0, nxpk= 0, iat= 402, -1, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83,
igr2= 410, 411,
&end
#
# 28 HIS HD2 29 LYS QG 3.63
&rst
ixpk= 0, nxpk= 0, iat= 402, -1, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57,
igr2= 413, 414,
&end
#
# 28 HIS HD2 32 HIS HD2 4.25
&rst
ixpk= 0, nxpk= 0, iat= 402, 479, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75, &end
#
# 28 HIS HE1 31 LEU QD1 4.62
&rst
ixpk= 0, nxpk= 0, iat= 399, -1, r1= 1.30, r2= 1.80, r3= 5.55, r4= 6.05,
igr2= 456, 457, 458,
&end
#
# 28 HIS HN 28 HIS HB2 3.13
&rst
ixpk= 0, nxpk= 0, iat= 389, 393, r1= 1.30, r2= 1.80, r3= 3.13, r4= 3.63, &end
#
# 28 HIS HN 28 HIS HB3 2.96
&rst
ixpk= 0, nxpk= 0, iat= 389, 394, r1= 1.30, r2= 1.80, r3= 2.96, r4= 3.46, &end
#
# 28 HIS HN 28 HIS HD2 4.88
&rst
ixpk= 0, nxpk= 0, iat= 389, 402, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38, &end
#
# 28 HIS HN 29 LYS HN 3.30
&rst
ixpk= 0, nxpk= 0, iat= 389, 406, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 28 HIS HN 29 LYS QB 4.35
&rst
ixpk= 0, nxpk= 0, iat= 389, -1, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,
igr2= 410, 411,
&end
#
# 28 HIS HN 30 LEU HN 4.72
&rst
ixpk= 0, nxpk= 0, iat= 389, 428, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, &end
#
# 28 HIS HN 30 LEU QD1 5.41
&rst
ixpk= 0, nxpk= 0, iat= 389, -1, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,
igr2= 437, 438, 439,
&end
#
# 29 LYS HA 29 LYS HD2 5.05
&rst
ixpk= 0, nxpk= 0, iat= 408, 416, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, &end
#
# 29 LYS HA 29 LYS HD3 5.05
&rst
ixpk= 0, nxpk= 0, iat= 408, 417, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, &end
#
# 29 LYS HA 29 LYS HG2 4.08
&rst
ixpk= 0, nxpk= 0, iat= 408, 413, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58, &end
#
# 29 LYS HA 29 LYS HG3 4.08
&rst
ixpk= 0, nxpk= 0, iat= 408, 414, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58, &end
#
# 29 LYS HA 29 LYS QD 4.34
&rst
ixpk= 0, nxpk= 0, iat= 408, -1, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37,
igr2= 416, 417,
&end
#
# 29 LYS HA 29 LYS QG 3.25
&rst
ixpk= 0, nxpk= 0, iat= 408, -1, r1= 1.30, r2= 1.80, r3= 3.65, r4= 4.15,
igr2= 413, 414,
&end
#
# 29 LYS HA 30 LEU HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= 408, 430, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 29 LYS HA 31 LEU HN 4.17
&rst
ixpk= 0, nxpk= 0, iat= 408, 447, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67, &end
#
# 29 LYS HA 32 HIS HD2 3.13
&rst
ixpk= 0, nxpk= 0, iat= 408, 479, r1= 1.30, r2= 1.80, r3= 3.13, r4= 3.63, &end
#
# 29 LYS HA 32 HIS HN 3.90
&rst
ixpk= 0, nxpk= 0, iat= 408, 466, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40, &end
#
# 29 LYS HA 32 HIS QB 3.92
&rst
ixpk= 0, nxpk= 0, iat= 408, -1, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,
igr2= 470, 471,
&end
#
# 29 LYS HN 29 LYS HG2 3.91
&rst
ixpk= 0, nxpk= 0, iat= 406, 413, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41, &end
#
# 29 LYS HN 29 LYS HG3 3.91
&rst
ixpk= 0, nxpk= 0, iat= 406, 414, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41, &end
#
# 29 LYS HN 29 LYS QB 3.06
&rst
ixpk= 0, nxpk= 0, iat= 406, -1, r1= 1.30, r2= 1.80, r3= 3.43, r4= 3.93,
igr2= 410, 411,
&end
#
# 29 LYS HN 29 LYS QG 3.38
&rst
ixpk= 0, nxpk= 0, iat= 406, -1, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29,
igr2= 413, 414,
&end
#
# 29 LYS HN 30 LEU HN 3.34
&rst
ixpk= 0, nxpk= 0, iat= 406, 428, r1= 1.30, r2= 1.80, r3= 3.34, r4= 3.84, &end
#
# 29 LYS HN 31 LEU HN 4.77
&rst
ixpk= 0, nxpk= 0, iat= 406, 447, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27, &end
#
# 29 LYS QB 29 LYS HE2 4.10
&rst
ixpk= 0, nxpk= 0, iat= -1, 419, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
igr1= 410, 411,
&end
#
# 29 LYS QB 29 LYS HE3 4.10
&rst
ixpk= 0, nxpk= 0, iat= -1, 420, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
igr1= 410, 411,
&end
#
# 29 LYS QB 29 LYS QE 3.60
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
igr1= 410, 411,
igr2= 419, 420,
&end
#
# 29 LYS QB 30 LEU HA 4.74
&rst
ixpk= 0, nxpk= 0, iat= -1, 430, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82,
igr1= 410, 411,
&end
#
# 29 LYS QB 30 LEU HN 3.71
&rst
ixpk= 0, nxpk= 0, iat= -1, 428, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66,
igr1= 410, 411,
&end
#
# 29 LYS QB 32 HIS HD2 4.68
&rst
ixpk= 0, nxpk= 0, iat= -1, 479, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75,
igr1= 410, 411,
&end
#
# 29 LYS QG 32 HIS HD2 3.96
&rst
ixpk= 0, nxpk= 0, iat= -1, 479, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
igr1= 413, 414,
&end
#
# 30 LEU HA 30 LEU HG 3.65
&rst
ixpk= 0, nxpk= 0, iat= 430, 435, r1= 1.30, r2= 1.80, r3= 3.65, r4= 4.15, &end
#
# 30 LEU HA 30 LEU QD1 4.14
&rst
ixpk= 0, nxpk= 0, iat= 430, -1, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47,
igr2= 437, 438, 439,
&end
#
# 30 LEU HA 30 LEU QD2 2.94
&rst
ixpk= 0, nxpk= 0, iat= 430, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr2= 441, 442, 443,
&end
#
# 30 LEU HA 32 HIS HN 4.42
&rst
ixpk= 0, nxpk= 0, iat= 430, 466, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92, &end
#
# 30 LEU HA 33 THR QG2 4.47
&rst
ixpk= 0, nxpk= 0, iat= 430, -1, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,
igr2= 489, 490, 491,
&end
#
# 30 LEU HB2 30 LEU QD1 3.17
&rst
ixpk= 0, nxpk= 0, iat= 432, -1, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31,
igr2= 437, 438, 439,
&end
#
# 30 LEU HB2 30 LEU QD2 3.83
&rst
ixpk= 0, nxpk= 0, iat= 432, -1, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
igr2= 441, 442, 443,
&end
#
# 30 LEU HB2 31 LEU HN 3.84
&rst
ixpk= 0, nxpk= 0, iat= 432, 447, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34, &end
#
# 30 LEU HB2 31 LEU QD2 4.69
&rst
ixpk= 0, nxpk= 0, iat= 432, -1, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13,
igr2= 460, 461, 462,
&end
#
# 30 LEU HB3 30 LEU QD1 3.33
&rst
ixpk= 0, nxpk= 0, iat= 433, -1, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
igr2= 437, 438, 439,
&end
#
# 30 LEU HB3 30 LEU QD2 3.29
&rst
ixpk= 0, nxpk= 0, iat= 433, -1, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45,
igr2= 441, 442, 443,
&end
#
# 30 LEU HB3 31 LEU HN 4.50
&rst
ixpk= 0, nxpk= 0, iat= 433, 447, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 30 LEU HN 30 LEU HB2 2.95
&rst
ixpk= 0, nxpk= 0, iat= 428, 432, r1= 1.30, r2= 1.80, r3= 2.95, r4= 3.45, &end
#
# 30 LEU HN 30 LEU HB3 3.64
&rst
ixpk= 0, nxpk= 0, iat= 428, 433, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14, &end
#
# 30 LEU HN 30 LEU HG 3.09
&rst
ixpk= 0, nxpk= 0, iat= 428, 435, r1= 1.30, r2= 1.80, r3= 3.09, r4= 3.59, &end
#
# 30 LEU HN 30 LEU QD1 3.85
&rst
ixpk= 0, nxpk= 0, iat= 428, -1, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
igr2= 437, 438, 439,
&end
#
# 30 LEU HN 30 LEU QD2 3.81
&rst
ixpk= 0, nxpk= 0, iat= 428, -1, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
igr2= 441, 442, 443,
&end
#
# 30 LEU HN 31 LEU HG 4.74
&rst
ixpk= 0, nxpk= 0, iat= 428, 454, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24, &end
#
# 30 LEU HN 31 LEU HN 3.24
&rst
ixpk= 0, nxpk= 0, iat= 428, 447, r1= 1.30, r2= 1.80, r3= 3.24, r4= 3.74, &end
#
# 30 LEU QD1 31 LEU HN 4.79
&rst
ixpk= 0, nxpk= 0, iat= -1, 447, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25,
igr1= 437, 438, 439,
&end
#
# 30 LEU QD2 31 LEU HN 4.86
&rst
ixpk= 0, nxpk= 0, iat= -1, 447, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
igr1= 441, 442, 443,
&end
#
# 30 LEU QD2 33 THR QG2 4.53
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.53, r4= 7.03,
igr1= 441, 442, 443,
igr2= 489, 490, 491,
&end
#
# 31 LEU HA 31 LEU HG 3.82
&rst
ixpk= 0, nxpk= 0, iat= 449, 454, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32, &end
#
# 31 LEU HA 31 LEU QD1 4.18
&rst
ixpk= 0, nxpk= 0, iat= 449, -1, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52,
igr2= 456, 457, 458,
&end
#
# 31 LEU HA 31 LEU QD2 3.05
&rst
ixpk= 0, nxpk= 0, iat= 449, -1, r1= 1.30, r2= 1.80, r3= 3.66, r4= 4.16,
igr2= 460, 461, 462,
&end
#
# 31 LEU HB2 31 LEU QD1 3.38
&rst
ixpk= 0, nxpk= 0, iat= 451, -1, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56,
igr2= 456, 457, 458,
&end
#
# 31 LEU HB2 31 LEU QD2 3.61
&rst
ixpk= 0, nxpk= 0, iat= 451, -1, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84,
igr2= 460, 461, 462,
&end
#
# 31 LEU HB2 32 HIS HD2 5.48
&rst
ixpk= 0, nxpk= 0, iat= 451, 479, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98, &end
#
# 31 LEU HB2 32 HIS HN 4.00
&rst
ixpk= 0, nxpk= 0, iat= 451, 466, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 31 LEU HB3 31 LEU QD1 3.40
&rst
ixpk= 0, nxpk= 0, iat= 452, -1, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58,
igr2= 456, 457, 458,
&end
#
# 31 LEU HB3 31 LEU QD2 3.36
&rst
ixpk= 0, nxpk= 0, iat= 452, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr2= 460, 461, 462,
&end
#
# 31 LEU HB3 32 HIS HN 4.35
&rst
ixpk= 0, nxpk= 0, iat= 452, 466, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85, &end
#
# 31 LEU HG 32 HIS HN 4.72
&rst
ixpk= 0, nxpk= 0, iat= 454, 466, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, &end
#
# 31 LEU HN 31 LEU HB2 3.18
&rst
ixpk= 0, nxpk= 0, iat= 447, 451, r1= 1.30, r2= 1.80, r3= 3.18, r4= 3.68, &end
#
# 31 LEU HN 31 LEU HB3 3.80
&rst
ixpk= 0, nxpk= 0, iat= 447, 452, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end
#
# 31 LEU HN 31 LEU HG 3.22
&rst
ixpk= 0, nxpk= 0, iat= 447, 454, r1= 1.30, r2= 1.80, r3= 3.22, r4= 3.72, &end
#
# 31 LEU HN 31 LEU QD1 4.01
&rst
ixpk= 0, nxpk= 0, iat= 447, -1, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32,
igr2= 456, 457, 458,
&end
#
# 31 LEU HN 31 LEU QD2 4.00
&rst
ixpk= 0, nxpk= 0, iat= 447, -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr2= 460, 461, 462,
&end
#
# 31 LEU HN 32 HIS HN 3.17
&rst
ixpk= 0, nxpk= 0, iat= 447, 466, r1= 1.30, r2= 1.80, r3= 3.17, r4= 3.67, &end
#
# 31 LEU HN 32 HIS QB 4.75
&rst
ixpk= 0, nxpk= 0, iat= 447, -1, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83,
igr2= 470, 471,
&end
#
# 32 HIS HN 32 HIS HD2 4.00
&rst
ixpk= 0, nxpk= 0, iat= 466, 479, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 32 HIS HN 32 HIS QB 2.95
&rst
ixpk= 0, nxpk= 0, iat= 466, -1, r1= 1.30, r2= 1.80, r3= 3.31, r4= 3.81,
igr2= 470, 471,
&end
#
# 32 HIS HN 33 THR HN 4.14
&rst
ixpk= 0, nxpk= 0, iat= 466, 483, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64, &end
#
# 32 HIS QB 32 HIS HD2 3.43
&rst
ixpk= 0, nxpk= 0, iat= -1, 479, r1= 1.30, r2= 1.80, r3= 3.85, r4= 4.35,
igr1= 470, 471,
&end
#
# 32 HIS QB 33 THR HA 4.85
&rst
ixpk= 0, nxpk= 0, iat= -1, 485, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94,
igr1= 470, 471,
&end
#
# 32 HIS QB 33 THR HN 4.54
&rst
ixpk= 0, nxpk= 0, iat= -1, 483, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
igr1= 470, 471,
&end
#
# 32 HIS QB 33 THR QG2 4.57
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66,
igr1= 470, 471,
igr2= 489, 490, 491,
&end
#
# 33 THR HA 33 THR QG2 3.47
&rst
ixpk= 0, nxpk= 0, iat= 485, -1, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67,
igr2= 489, 490, 491,
&end
#
# 33 THR HN 33 THR QG2 4.72
&rst
ixpk= 0, nxpk= 0, iat= 483, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr2= 489, 490, 491,
&end
#
# 34 ALA QB 35 ASP HN 4.62
&rst
ixpk= 0, nxpk= 0, iat= -1, 507, r1= 1.30, r2= 1.80, r3= 5.55, r4= 6.05,
igr1= 501, 502, 503,
&end
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