NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type | subtype | subsubtype |
|
|
541843 |
2lie   |
17890 | cing | 1-original | 1 | AMBER | distance | NOE | simple |
#
# 15 PRO HA 16 ALA H 2.63
&rst
ixpk= 0, nxpk= 0, iat= 215, 219, r1= 1.30, r2= 1.80, r3= 2.63, r4= 3.13,
rk2=20, rk3=20, ir6=1, ialtd=0,
&end
#
# 15 PRO HA 17 VAL QG2 5.45
&rst
ixpk= 0, nxpk= 0, iat= 215, -1, r1= 1.30, r2= 1.80, r3= 7.35, r4= 7.85,
igr2= 235, 236, 237, 239, 240, 241,
&end
#
# 15 PRO HB2 16 ALA H 3.91
&rst
ixpk= 0, nxpk= 0, iat= 212, 219, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41, &end
#
# 15 PRO HB3 16 ALA H 3.81
&rst
ixpk= 0, nxpk= 0, iat= 213, 219, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31, &end
#
# 15 PRO HB3 17 VAL H 5.43
&rst
ixpk= 0, nxpk= 0, iat= 213, 229, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93, &end
#
# 15 PRO HB3 17 VAL QG2 5.41
&rst
ixpk= 0, nxpk= 0, iat= 213, -1, r1= 1.30, r2= 1.80, r3= 7.29, r4= 7.79,
igr2= 235, 236, 237, 239, 240, 241,
&end
#
# 15 PRO QG 16 ALA H 4.77
&rst
ixpk= 0, nxpk= 0, iat= -1, 219, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85,
igr1= 209, 210,
&end
#
# 16 ALA H 16 ALA QB 3.03
&rst
ixpk= 0, nxpk= 0, iat= 219, -1, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14,
igr2= 223, 224, 225,
&end
#
# 16 ALA H 17 VAL H 3.97
&rst
ixpk= 0, nxpk= 0, iat= 219, 229, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47, &end
#
# 16 ALA H 17 VAL QG2 5.09
&rst
ixpk= 0, nxpk= 0, iat= 219, -1, r1= 1.30, r2= 1.80, r3= 6.86, r4= 7.36,
igr2= 235, 236, 237, 239, 240, 241,
&end
#
# 16 ALA HA 17 VAL H 2.80
&rst
ixpk= 0, nxpk= 0, iat= 221, 229, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 16 ALA HA 17 VAL QG2 4.26
&rst
ixpk= 0, nxpk= 0, iat= 221, -1, r1= 1.30, r2= 1.80, r3= 5.74, r4= 6.24,
igr2= 235, 236, 237, 239, 240, 241,
&end
#
# 16 ALA QB 109 LEU QD2 4.81
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.79, r4= 8.29,
igr1= 223, 224, 225,
igr2=1644,1645,1646,1648,1649,1650,
&end
#
# 16 ALA QB 17 VAL H 3.70
&rst
ixpk= 0, nxpk= 0, iat= -1, 229, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
igr1= 223, 224, 225,
&end
#
# 17 VAL H 109 LEU QD2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 229, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2=1644,1645,1646,1648,1649,1650,
&end
#
# 17 VAL H 17 VAL HB 3.01
&rst
ixpk= 0, nxpk= 0, iat= 229, 233, r1= 1.30, r2= 1.80, r3= 3.01, r4= 3.51, &end
#
# 17 VAL H 17 VAL QG2 3.19
&rst
ixpk= 0, nxpk= 0, iat= 229, -1, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,
igr2= 235, 236, 237, 239, 240, 241,
&end
#
# 17 VAL H 18 THR HA 5.39
&rst
ixpk= 0, nxpk= 0, iat= 229, 247, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89, &end
#
# 17 VAL HA 109 LEU QD2 5.01
&rst
ixpk= 0, nxpk= 0, iat= 231, -1, r1= 1.30, r2= 1.80, r3= 6.75, r4= 7.25,
igr2=1644,1645,1646,1648,1649,1650,
&end
#
# 17 VAL HA 17 VAL QG1 2.98
&rst
ixpk= 0, nxpk= 0, iat= 231, -1, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52,
igr2= 235, 236, 237, 239, 240, 241,
&end
#
# 17 VAL HA 17 VAL QG2 3.20
&rst
ixpk= 0, nxpk= 0, iat= 231, -1, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81,
igr2= 235, 236, 237, 239, 240, 241,
&end
#
# 17 VAL HA 17 VAL QQG 4.97
&rst
ixpk= 0, nxpk= 0, iat= 231, -1, r1= 1.30, r2= 1.80, r3= 6.70, r4= 7.20,
igr2= 235, 236, 237, 239, 240, 241,
&end
#
# 17 VAL HA 18 THR H 2.51
&rst
ixpk= 0, nxpk= 0, iat= 231, 245, r1= 1.30, r2= 1.80, r3= 2.51, r4= 3.01, &end
#
# 17 VAL HB 109 LEU QD2 4.97
&rst
ixpk= 0, nxpk= 0, iat= 233, -1, r1= 1.30, r2= 1.80, r3= 6.70, r4= 7.20,
igr2=1644,1645,1646,1648,1649,1650,
&end
#
# 17 VAL HB 18 THR H 4.14
&rst
ixpk= 0, nxpk= 0, iat= 233, 245, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64, &end
#
# 17 VAL HB 19 LEU H 5.30
&rst
ixpk= 0, nxpk= 0, iat= 233, 259, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, &end
#
# 17 VAL QG1 18 THR H 3.60
&rst
ixpk= 0, nxpk= 0, iat= -1, 245, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
igr1= 235, 236, 237, 239, 240, 241,
&end
#
# 17 VAL QG1 18 THR HA 4.26
&rst
ixpk= 0, nxpk= 0, iat= -1, 247, r1= 1.30, r2= 1.80, r3= 5.74, r4= 6.24,
igr1= 235, 236, 237, 239, 240, 241,
&end
#
# 17 VAL QG1 18 THR QG2 3.76
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.09, r4= 6.59,
igr1= 235, 236, 237, 239, 240, 241,
igr2= 251, 252, 253,
&end
#
# 17 VAL QG1 19 LEU H 3.57
&rst
ixpk= 0, nxpk= 0, iat= -1, 259, r1= 1.30, r2= 1.80, r3= 4.81, r4= 5.31,
igr1= 235, 236, 237, 239, 240, 241,
&end
#
# 17 VAL QG1 19 LEU QD1 5.22
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.49, r4= 9.99,
igr1= 235, 236, 237, 239, 240, 241,
igr2= 268, 269, 270, 272, 273, 274,
&end
#
# 17 VAL QG1 19 LEU QD2 5.25
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.54, r4=10.04,
igr1= 235, 236, 237, 239, 240, 241,
igr2= 268, 269, 270, 272, 273, 274,
&end
#
# 17 VAL QG2 18 THR H 3.98
&rst
ixpk= 0, nxpk= 0, iat= -1, 245, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,
igr1= 235, 236, 237, 239, 240, 241,
&end
#
# 18 THR H 18 THR HB 3.72
&rst
ixpk= 0, nxpk= 0, iat= 245, 249, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22, &end
#
# 18 THR H 18 THR QG2 3.65
&rst
ixpk= 0, nxpk= 0, iat= 245, -1, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,
igr2= 251, 252, 253,
&end
#
# 18 THR H 19 LEU H 3.18
&rst
ixpk= 0, nxpk= 0, iat= 245, 259, r1= 1.30, r2= 1.80, r3= 3.18, r4= 3.68, &end
#
# 18 THR H 19 LEU QD1 5.45
&rst
ixpk= 0, nxpk= 0, iat= 245, -1, r1= 1.30, r2= 1.80, r3= 7.35, r4= 7.85,
igr2= 268, 269, 270, 272, 273, 274,
&end
#
# 18 THR HA 18 THR HB 2.84
&rst
ixpk= 0, nxpk= 0, iat= 247, 249, r1= 1.30, r2= 1.80, r3= 2.84, r4= 3.34, &end
#
# 18 THR HA 18 THR QG2 3.31
&rst
ixpk= 0, nxpk= 0, iat= 247, -1, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48,
igr2= 251, 252, 253,
&end
#
# 18 THR HA 19 LEU HB2 4.28
&rst
ixpk= 0, nxpk= 0, iat= 247, 263, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78, &end
#
# 18 THR HA 19 LEU HG 4.76
&rst
ixpk= 0, nxpk= 0, iat= 247, 266, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26, &end
#
# 18 THR HA 19 LEU QD1 5.15
&rst
ixpk= 0, nxpk= 0, iat= 247, -1, r1= 1.30, r2= 1.80, r3= 6.94, r4= 7.44,
igr2= 268, 269, 270, 272, 273, 274,
&end
#
# 18 THR HA 19 LEU QD2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 247, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2= 268, 269, 270, 272, 273, 274,
&end
#
# 18 THR QG2 19 LEU H 3.71
&rst
ixpk= 0, nxpk= 0, iat= -1, 259, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96,
igr1= 251, 252, 253,
&end
#
# 19 LEU H 19 LEU HB2 3.58
&rst
ixpk= 0, nxpk= 0, iat= 259, 263, r1= 1.30, r2= 1.80, r3= 3.58, r4= 4.08, &end
#
# 19 LEU H 19 LEU HG 3.57
&rst
ixpk= 0, nxpk= 0, iat= 259, 266, r1= 1.30, r2= 1.80, r3= 3.57, r4= 4.07, &end
#
# 19 LEU H 19 LEU QD1 4.09
&rst
ixpk= 0, nxpk= 0, iat= 259, -1, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01,
igr2= 268, 269, 270, 272, 273, 274,
&end
#
# 19 LEU H 19 LEU QD2 4.10
&rst
ixpk= 0, nxpk= 0, iat= 259, -1, r1= 1.30, r2= 1.80, r3= 5.53, r4= 6.03,
igr2= 268, 269, 270, 272, 273, 274,
&end
#
# 19 LEU HA 150 ILE QG2 5.36
&rst
ixpk= 0, nxpk= 0, iat= 261, -1, r1= 1.30, r2= 1.80, r3= 6.44, r4= 6.94,
igr2=2230,2231,2232,
&end
#
# 19 LEU HA 19 LEU HB3 2.97
&rst
ixpk= 0, nxpk= 0, iat= 261, 264, r1= 1.30, r2= 1.80, r3= 2.97, r4= 3.47, &end
#
# 19 LEU HA 19 LEU HG 3.45
&rst
ixpk= 0, nxpk= 0, iat= 261, 266, r1= 1.30, r2= 1.80, r3= 3.45, r4= 3.95, &end
#
# 19 LEU HA 19 LEU QD1 4.92
&rst
ixpk= 0, nxpk= 0, iat= 261, -1, r1= 1.30, r2= 1.80, r3= 6.63, r4= 7.13,
igr2= 268, 269, 270, 272, 273, 274,
&end
#
# 19 LEU HA 19 LEU QD2 3.76
&rst
ixpk= 0, nxpk= 0, iat= 261, -1, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,
igr2= 268, 269, 270, 272, 273, 274,
&end
#
# 19 LEU HA 20 SER H 3.09
&rst
ixpk= 0, nxpk= 0, iat= 261, 278, r1= 1.30, r2= 1.80, r3= 3.09, r4= 3.59, &end
#
# 19 LEU HA 20 SER HA 4.72
&rst
ixpk= 0, nxpk= 0, iat= 261, 280, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, &end
#
# 19 LEU HA 20 SER QB 4.21
&rst
ixpk= 0, nxpk= 0, iat= 261, -1, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,
igr2= 282, 283,
&end
#
# 19 LEU HA 24 TYR HE 4.25
&rst
ixpk= 0, nxpk= 0, iat= 261, -1, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,
igr2= 330, 335,
&end
#
# 19 LEU HB2 19 LEU QD1 3.16
&rst
ixpk= 0, nxpk= 0, iat= 263, -1, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76,
igr2= 268, 269, 270, 272, 273, 274,
&end
#
# 19 LEU HB2 19 LEU QD2 3.42
&rst
ixpk= 0, nxpk= 0, iat= 263, -1, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,
igr2= 268, 269, 270, 272, 273, 274,
&end
#
# 19 LEU HB2 20 SER H 3.73
&rst
ixpk= 0, nxpk= 0, iat= 263, 278, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23, &end
#
# 19 LEU HB2 75 TRP HE1 5.31
&rst
ixpk= 0, nxpk= 0, iat= 263,1140, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81, &end
#
# 19 LEU HB2 75 TRP HH2 4.13
&rst
ixpk= 0, nxpk= 0, iat= 263,1145, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63, &end
#
# 19 LEU HB2 75 TRP HZ2 3.57
&rst
ixpk= 0, nxpk= 0, iat= 263,1143, r1= 1.30, r2= 1.80, r3= 3.57, r4= 4.07, &end
#
# 19 LEU HB3 19 LEU QD1 3.34
&rst
ixpk= 0, nxpk= 0, iat= 264, -1, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,
igr2= 268, 269, 270, 272, 273, 274,
&end
#
# 19 LEU HB3 19 LEU QD2 3.31
&rst
ixpk= 0, nxpk= 0, iat= 264, -1, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96,
igr2= 268, 269, 270, 272, 273, 274,
&end
#
# 19 LEU HB3 20 SER H 3.73
&rst
ixpk= 0, nxpk= 0, iat= 264, 278, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23, &end
#
# 19 LEU HB3 20 SER HA 5.25
&rst
ixpk= 0, nxpk= 0, iat= 264, 280, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75, &end
#
# 19 LEU HB3 20 SER QB 5.24
&rst
ixpk= 0, nxpk= 0, iat= 264, -1, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
igr2= 282, 283,
&end
#
# 19 LEU HB3 75 TRP HH2 4.45
&rst
ixpk= 0, nxpk= 0, iat= 264,1145, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95, &end
#
# 19 LEU HB3 75 TRP HZ2 3.73
&rst
ixpk= 0, nxpk= 0, iat= 264,1143, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23, &end
#
# 19 LEU HB3 75 TRP HZ3 4.93
&rst
ixpk= 0, nxpk= 0, iat= 264,1147, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43, &end
#
# 19 LEU HG 114 TYR HE 5.15
&rst
ixpk= 0, nxpk= 0, iat= 266, -1, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28,
igr2=1703,1708,
&end
#
# 19 LEU HG 20 SER H 4.75
&rst
ixpk= 0, nxpk= 0, iat= 266, 278, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25, &end
#
# 19 LEU HG 75 TRP HH2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 266,1145, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 19 LEU HG 75 TRP HZ2 5.08
&rst
ixpk= 0, nxpk= 0, iat= 266,1143, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58, &end
#
# 19 LEU QD1 114 TYR HE 3.56
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1= 268, 269, 270, 272, 273, 274,
igr2=1703,1708,
&end
#
# 19 LEU QD1 20 SER H 4.29
&rst
ixpk= 0, nxpk= 0, iat= -1, 278, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28,
igr1= 268, 269, 270, 272, 273, 274,
&end
#
# 19 LEU QD1 75 TRP HH2 5.20
&rst
ixpk= 0, nxpk= 0, iat= -1,1145, r1= 1.30, r2= 1.80, r3= 7.01, r4= 7.51,
igr1= 268, 269, 270, 272, 273, 274,
&end
#
# 19 LEU QD1 75 TRP HZ2 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1143, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 268, 269, 270, 272, 273, 274,
&end
#
# 19 LEU QD2 150 ILE H 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,2224, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 268, 269, 270, 272, 273, 274,
&end
#
# 19 LEU QD2 150 ILE QD1 4.20
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.80, r4= 7.30,
igr1= 268, 269, 270, 272, 273, 274,
igr2=2237,2238,2239,
&end
#
# 19 LEU QD2 150 ILE QG2 3.27
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79,
igr1= 268, 269, 270, 272, 273, 274,
igr2=2230,2231,2232,
&end
#
# 19 LEU QD2 20 SER H 3.78
&rst
ixpk= 0, nxpk= 0, iat= -1, 278, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
igr1= 268, 269, 270, 272, 273, 274,
&end
#
# 19 LEU QD2 75 TRP HE1 5.06
&rst
ixpk= 0, nxpk= 0, iat= -1,1140, r1= 1.30, r2= 1.80, r3= 6.82, r4= 7.32,
igr1= 268, 269, 270, 272, 273, 274,
&end
#
# 19 LEU QD2 75 TRP HH2 4.66
&rst
ixpk= 0, nxpk= 0, iat= -1,1145, r1= 1.30, r2= 1.80, r3= 6.28, r4= 6.78,
igr1= 268, 269, 270, 272, 273, 274,
&end
#
# 19 LEU QD2 75 TRP HZ2 4.24
&rst
ixpk= 0, nxpk= 0, iat= -1,1143, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,
igr1= 268, 269, 270, 272, 273, 274,
&end
#
# 20 SER H 150 ILE QG2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 278, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=2230,2231,2232,
&end
#
# 20 SER H 20 SER QB 3.58
&rst
ixpk= 0, nxpk= 0, iat= 278, -1, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52,
igr2= 282, 283,
&end
#
# 20 SER H 21 ALA H 4.66
&rst
ixpk= 0, nxpk= 0, iat= 278, 289, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16, &end
#
# 20 SER H 21 ALA HA 4.70
&rst
ixpk= 0, nxpk= 0, iat= 278, 291, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, &end
#
# 20 SER H 21 ALA QB 5.50
&rst
ixpk= 0, nxpk= 0, iat= 278, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 293, 294, 295,
&end
#
# 20 SER H 75 TRP HH2 5.15
&rst
ixpk= 0, nxpk= 0, iat= 278,1145, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65, &end
#
# 20 SER HA 21 ALA H 3.46
&rst
ixpk= 0, nxpk= 0, iat= 280, 289, r1= 1.30, r2= 1.80, r3= 3.46, r4= 3.96, &end
#
# 20 SER HA 21 ALA QB 4.85
&rst
ixpk= 0, nxpk= 0, iat= 280, -1, r1= 1.30, r2= 1.80, r3= 5.82, r4= 6.32,
igr2= 293, 294, 295,
&end
#
# 20 SER HA 75 TRP HH2 3.26
&rst
ixpk= 0, nxpk= 0, iat= 280,1145, r1= 1.30, r2= 1.80, r3= 3.26, r4= 3.76, &end
#
# 20 SER HA 75 TRP HZ3 4.09
&rst
ixpk= 0, nxpk= 0, iat= 280,1147, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59, &end
#
# 20 SER QB 152 LYS QE 5.22
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.58, r4= 7.08,
igr1= 282, 283,
igr2=2271,2272,
&end
#
# 20 SER QB 21 ALA H 3.54
&rst
ixpk= 0, nxpk= 0, iat= -1, 289, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47,
igr1= 282, 283,
&end
#
# 20 SER QB 21 ALA QB 4.29
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28,
igr1= 282, 283,
igr2= 293, 294, 295,
&end
#
# 20 SER QB 24 TYR HE 3.95
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48,
igr1= 282, 283,
igr2= 330, 335,
&end
#
# 20 SER QB 75 TRP HH2 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1145, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 282, 283,
&end
#
# 20 SER QB 75 TRP HZ3 4.59
&rst
ixpk= 0, nxpk= 0, iat= -1,1147, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,
igr1= 282, 283,
&end
#
# 21 ALA H 21 ALA QB 3.27
&rst
ixpk= 0, nxpk= 0, iat= 289, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 293, 294, 295,
&end
#
# 21 ALA H 22 GLY H 4.64
&rst
ixpk= 0, nxpk= 0, iat= 289, 299, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14, &end
#
# 21 ALA H 75 TRP HH2 4.21
&rst
ixpk= 0, nxpk= 0, iat= 289,1145, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71, &end
#
# 21 ALA H 75 TRP HZ3 4.75
&rst
ixpk= 0, nxpk= 0, iat= 289,1147, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25, &end
#
# 21 ALA HA 22 GLY H 3.47
&rst
ixpk= 0, nxpk= 0, iat= 291, 299, r1= 1.30, r2= 1.80, r3= 3.47, r4= 3.97, &end
#
# 21 ALA HA 22 GLY HA2 5.15
&rst
ixpk= 0, nxpk= 0, iat= 291, 301, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65, &end
#
# 21 ALA HA 66 ARG HA 4.14
&rst
ixpk= 0, nxpk= 0, iat= 291,1000, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64, &end
#
# 21 ALA HA 67 SER H 4.32
&rst
ixpk= 0, nxpk= 0, iat= 291,1022, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82, &end
#
# 21 ALA HA 75 TRP HZ3 3.94
&rst
ixpk= 0, nxpk= 0, iat= 291,1147, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44, &end
#
# 21 ALA QB 22 GLY H 3.44
&rst
ixpk= 0, nxpk= 0, iat= -1, 299, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63,
igr1= 293, 294, 295,
&end
#
# 21 ALA QB 64 ILE QG2 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 293, 294, 295,
igr2= 966, 967, 968,
&end
#
# 21 ALA QB 65 LEU QD2 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
igr1= 293, 294, 295,
igr2= 988, 989, 990, 992, 993, 994,
&end
#
# 21 ALA QB 66 ARG HA 3.52
&rst
ixpk= 0, nxpk= 0, iat= -1,1000, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73,
igr1= 293, 294, 295,
&end
#
# 21 ALA QB 66 ARG QD 4.37
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.89, r4= 6.39,
igr1= 293, 294, 295,
igr2=1008,1009,
&end
#
# 21 ALA QB 67 SER H 3.71
&rst
ixpk= 0, nxpk= 0, iat= -1,1022, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96,
igr1= 293, 294, 295,
&end
#
# 21 ALA QB 67 SER HB2 5.20
&rst
ixpk= 0, nxpk= 0, iat= -1,1026, r1= 1.30, r2= 1.80, r3= 6.24, r4= 6.74,
igr1= 293, 294, 295,
&end
#
# 21 ALA QB 67 SER HB3 4.63
&rst
ixpk= 0, nxpk= 0, iat= -1,1027, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
igr1= 293, 294, 295,
&end
#
# 21 ALA QB 75 TRP HH2 5.16
&rst
ixpk= 0, nxpk= 0, iat= -1,1145, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70,
igr1= 293, 294, 295,
&end
#
# 21 ALA QB 75 TRP HZ3 3.88
&rst
ixpk= 0, nxpk= 0, iat= -1,1147, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,
igr1= 293, 294, 295,
&end
#
# 22 GLY H 23 ASN H 4.53
&rst
ixpk= 0, nxpk= 0, iat= 299, 306, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03, &end
#
# 22 GLY H 23 ASN HA 5.37
&rst
ixpk= 0, nxpk= 0, iat= 299, 308, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87, &end
#
# 22 GLY H 24 TYR HD 4.30
&rst
ixpk= 0, nxpk= 0, iat= 299, -1, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
igr2= 328, 337,
&end
#
# 22 GLY H 24 TYR HE 3.84
&rst
ixpk= 0, nxpk= 0, iat= 299, -1, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81,
igr2= 330, 335,
&end
#
# 22 GLY H 64 ILE QG2 4.92
&rst
ixpk= 0, nxpk= 0, iat= 299, -1, r1= 1.30, r2= 1.80, r3= 5.91, r4= 6.41,
igr2= 966, 967, 968,
&end
#
# 22 GLY H 65 LEU H 4.45
&rst
ixpk= 0, nxpk= 0, iat= 299, 979, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95, &end
#
# 22 GLY H 65 LEU HB3 4.73
&rst
ixpk= 0, nxpk= 0, iat= 299, 984, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23, &end
#
# 22 GLY H 66 ARG HA 4.60
&rst
ixpk= 0, nxpk= 0, iat= 299,1000, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, &end
#
# 22 GLY HA2 23 ASN H 3.30
&rst
ixpk= 0, nxpk= 0, iat= 301, 306, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 22 GLY HA2 24 TYR HD 4.88
&rst
ixpk= 0, nxpk= 0, iat= 301, -1, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98,
igr2= 328, 337,
&end
#
# 22 GLY HA2 24 TYR HE 3.92
&rst
ixpk= 0, nxpk= 0, iat= 301, -1, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,
igr2= 330, 335,
&end
#
# 22 GLY HA2 65 LEU H 5.49
&rst
ixpk= 0, nxpk= 0, iat= 301, 979, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99, &end
#
# 22 GLY HA3 23 ASN H 3.27
&rst
ixpk= 0, nxpk= 0, iat= 302, 306, r1= 1.30, r2= 1.80, r3= 3.27, r4= 3.77, &end
#
# 23 ASN H 152 LYS QD 5.05
&rst
ixpk= 0, nxpk= 0, iat= 306, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr2=2268,2269,
&end
#
# 23 ASN H 152 LYS QE 4.45
&rst
ixpk= 0, nxpk= 0, iat= 306, -1, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49,
igr2=2271,2272,
&end
#
# 23 ASN H 153 VAL HB 4.93
&rst
ixpk= 0, nxpk= 0, iat= 306,2284, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43, &end
#
# 23 ASN H 153 VAL QG2 4.95
&rst
ixpk= 0, nxpk= 0, iat= 306, -1, r1= 1.30, r2= 1.80, r3= 6.67, r4= 7.17,
igr2=2286,2287,2288,2290,2291,2292,
&end
#
# 23 ASN H 23 ASN HB2 3.66
&rst
ixpk= 0, nxpk= 0, iat= 306, 310, r1= 1.30, r2= 1.80, r3= 3.66, r4= 4.16, &end
#
# 23 ASN H 23 ASN HB3 3.71
&rst
ixpk= 0, nxpk= 0, iat= 306, 311, r1= 1.30, r2= 1.80, r3= 3.71, r4= 4.21, &end
#
# 23 ASN H 23 ASN HND1 4.84
&rst
ixpk= 0, nxpk= 0, iat= 306, 316, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34, &end
#
# 23 ASN H 23 ASN HND2 5.42
&rst
ixpk= 0, nxpk= 0, iat= 306, 315, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92, &end
#
# 23 ASN H 24 TYR H 4.54
&rst
ixpk= 0, nxpk= 0, iat= 306, 320, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04, &end
#
# 23 ASN H 24 TYR HD 5.50
&rst
ixpk= 0, nxpk= 0, iat= 306, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 328, 337,
&end
#
# 23 ASN H 24 TYR HE 4.63
&rst
ixpk= 0, nxpk= 0, iat= 306, -1, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,
igr2= 330, 335,
&end
#
# 23 ASN H 64 ILE HA 5.20
&rst
ixpk= 0, nxpk= 0, iat= 306, 962, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70, &end
#
# 23 ASN HA 153 VAL QG2 4.00
&rst
ixpk= 0, nxpk= 0, iat= 308, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr2=2286,2287,2288,2290,2291,2292,
&end
#
# 23 ASN HA 23 ASN HND1 5.32
&rst
ixpk= 0, nxpk= 0, iat= 308, 316, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82, &end
#
# 23 ASN HA 23 ASN HND2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 308, 315, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 23 ASN HA 24 TYR HA 4.65
&rst
ixpk= 0, nxpk= 0, iat= 308, 322, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15, &end
#
# 23 ASN HA 24 TYR HB2 5.25
&rst
ixpk= 0, nxpk= 0, iat= 308, 324, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75, &end
#
# 23 ASN HA 24 TYR HD 4.28
&rst
ixpk= 0, nxpk= 0, iat= 308, -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr2= 328, 337,
&end
#
# 23 ASN HA 64 ILE HA 4.51
&rst
ixpk= 0, nxpk= 0, iat= 308, 962, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01, &end
#
# 23 ASN HA 64 ILE QG2 4.52
&rst
ixpk= 0, nxpk= 0, iat= 308, -1, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,
igr2= 966, 967, 968,
&end
#
# 23 ASN HA 65 LEU H 5.15
&rst
ixpk= 0, nxpk= 0, iat= 308, 979, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65, &end
#
# 23 ASN HB2 153 VAL H 5.50
&rst
ixpk= 0, nxpk= 0, iat= 310,2280, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 23 ASN HB2 153 VAL HB 3.99
&rst
ixpk= 0, nxpk= 0, iat= 310,2284, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49, &end
#
# 23 ASN HB2 153 VAL QG1 4.54
&rst
ixpk= 0, nxpk= 0, iat= 310, -1, r1= 1.30, r2= 1.80, r3= 6.12, r4= 6.62,
igr2=2286,2287,2288,2290,2291,2292,
&end
#
# 23 ASN HB2 153 VAL QG2 3.36
&rst
ixpk= 0, nxpk= 0, iat= 310, -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
igr2=2286,2287,2288,2290,2291,2292,
&end
#
# 23 ASN HB2 24 TYR H 4.38
&rst
ixpk= 0, nxpk= 0, iat= 310, 320, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88, &end
#
# 23 ASN HB3 153 VAL HB 4.80
&rst
ixpk= 0, nxpk= 0, iat= 311,2284, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, &end
#
# 23 ASN HB3 153 VAL QG1 4.16
&rst
ixpk= 0, nxpk= 0, iat= 311, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2=2286,2287,2288,2290,2291,2292,
&end
#
# 23 ASN HB3 153 VAL QG2 3.45
&rst
ixpk= 0, nxpk= 0, iat= 311, -1, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,
igr2=2286,2287,2288,2290,2291,2292,
&end
#
# 23 ASN HB3 24 TYR H 4.23
&rst
ixpk= 0, nxpk= 0, iat= 311, 320, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73, &end
#
# 23 ASN HB3 62 ALA QB 5.42
&rst
ixpk= 0, nxpk= 0, iat= 311, -1, r1= 1.30, r2= 1.80, r3= 6.51, r4= 7.01,
igr2= 930, 931, 932,
&end
#
# 23 ASN HB3 63 TRP H 5.20
&rst
ixpk= 0, nxpk= 0, iat= 311, 936, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70, &end
#
# 23 ASN HB3 64 ILE HA 5.44
&rst
ixpk= 0, nxpk= 0, iat= 311, 962, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94, &end
#
# 23 ASN HND2 153 VAL QG2 4.62
&rst
ixpk= 0, nxpk= 0, iat= 315, -1, r1= 1.30, r2= 1.80, r3= 6.23, r4= 6.73,
igr2=2286,2287,2288,2290,2291,2292,
&end
#
# 23 ASN HND2 62 ALA QB 5.44
&rst
ixpk= 0, nxpk= 0, iat= 315, -1, r1= 1.30, r2= 1.80, r3= 6.53, r4= 7.03,
igr2= 930, 931, 932,
&end
#
# 23 ASN HND2 80 VAL QG2 4.47
&rst
ixpk= 0, nxpk= 0, iat= 315, -1, r1= 1.30, r2= 1.80, r3= 6.03, r4= 6.53,
igr2=1218,1219,1220,1222,1223,1224,
&end
#
# 24 TYR H 150 ILE QG2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 320, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=2230,2231,2232,
&end
#
# 24 TYR H 153 VAL QG2 3.95
&rst
ixpk= 0, nxpk= 0, iat= 320, -1, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82,
igr2=2286,2287,2288,2290,2291,2292,
&end
#
# 24 TYR H 24 TYR HD 3.94
&rst
ixpk= 0, nxpk= 0, iat= 320, -1, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92,
igr2= 328, 337,
&end
#
# 24 TYR H 24 TYR HE 6.00
&rst
ixpk= 0, nxpk= 0, iat= 320, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 330, 335,
&end
#
# 24 TYR H 25 ILE H 5.41
&rst
ixpk= 0, nxpk= 0, iat= 320, 341, r1= 1.30, r2= 1.80, r3= 5.41, r4= 5.91, &end
#
# 24 TYR H 25 ILE QG2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 320, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 347, 348, 349,
&end
#
# 24 TYR H 63 TRP H 5.21
&rst
ixpk= 0, nxpk= 0, iat= 320, 936, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71, &end
#
# 24 TYR H 64 ILE HA 4.72
&rst
ixpk= 0, nxpk= 0, iat= 320, 962, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, &end
#
# 24 TYR H 64 ILE QG2 4.95
&rst
ixpk= 0, nxpk= 0, iat= 320, -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr2= 966, 967, 968,
&end
#
# 24 TYR H 65 LEU H 5.27
&rst
ixpk= 0, nxpk= 0, iat= 320, 979, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77, &end
#
# 24 TYR H 65 LEU HB2 5.40
&rst
ixpk= 0, nxpk= 0, iat= 320, 983, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, &end
#
# 24 TYR H 65 LEU QD1 4.61
&rst
ixpk= 0, nxpk= 0, iat= 320, -1, r1= 1.30, r2= 1.80, r3= 6.21, r4= 6.71,
igr2= 988, 989, 990, 992, 993, 994,
&end
#
# 24 TYR H 80 VAL QG2 5.40
&rst
ixpk= 0, nxpk= 0, iat= 320, -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
igr2=1218,1219,1220,1222,1223,1224,
&end
#
# 24 TYR HA 150 ILE QG2 4.42
&rst
ixpk= 0, nxpk= 0, iat= 322, -1, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,
igr2=2230,2231,2232,
&end
#
# 24 TYR HA 151 GLU H 5.12
&rst
ixpk= 0, nxpk= 0, iat= 322,2243, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62, &end
#
# 24 TYR HA 152 LYS HA 3.70
&rst
ixpk= 0, nxpk= 0, iat= 322,2260, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20, &end
#
# 24 TYR HA 152 LYS HB2 5.00
&rst
ixpk= 0, nxpk= 0, iat= 322,2262, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 24 TYR HA 152 LYS HB3 5.42
&rst
ixpk= 0, nxpk= 0, iat= 322,2263, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92, &end
#
# 24 TYR HA 152 LYS HG2 5.36
&rst
ixpk= 0, nxpk= 0, iat= 322,2265, r1= 1.30, r2= 1.80, r3= 5.36, r4= 5.86, &end
#
# 24 TYR HA 152 LYS HG3 5.50
&rst
ixpk= 0, nxpk= 0, iat= 322,2266, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 24 TYR HA 153 VAL H 4.15
&rst
ixpk= 0, nxpk= 0, iat= 322,2280, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65, &end
#
# 24 TYR HA 153 VAL HA 4.82
&rst
ixpk= 0, nxpk= 0, iat= 322,2282, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32, &end
#
# 24 TYR HA 153 VAL HB 4.22
&rst
ixpk= 0, nxpk= 0, iat= 322,2284, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72, &end
#
# 24 TYR HA 153 VAL QG2 3.52
&rst
ixpk= 0, nxpk= 0, iat= 322, -1, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,
igr2=2286,2287,2288,2290,2291,2292,
&end
#
# 24 TYR HA 24 TYR HD 3.95
&rst
ixpk= 0, nxpk= 0, iat= 322, -1, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93,
igr2= 328, 337,
&end
#
# 24 TYR HA 24 TYR HE 4.56
&rst
ixpk= 0, nxpk= 0, iat= 322, -1, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
igr2= 330, 335,
&end
#
# 24 TYR HA 25 ILE HG12 4.44
&rst
ixpk= 0, nxpk= 0, iat= 322, 351, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94, &end
#
# 24 TYR HA 25 ILE HG13 5.13
&rst
ixpk= 0, nxpk= 0, iat= 322, 352, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63, &end
#
# 24 TYR HA 25 ILE QG2 4.35
&rst
ixpk= 0, nxpk= 0, iat= 322, -1, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
igr2= 347, 348, 349,
&end
#
# 24 TYR HB2 150 ILE QG2 3.97
&rst
ixpk= 0, nxpk= 0, iat= 324, -1, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,
igr2=2230,2231,2232,
&end
#
# 24 TYR HB2 25 ILE H 4.58
&rst
ixpk= 0, nxpk= 0, iat= 324, 341, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08, &end
#
# 24 TYR HB2 65 LEU HB2 2.92
&rst
ixpk= 0, nxpk= 0, iat= 324, 983, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42, &end
#
# 24 TYR HB2 65 LEU HB3 2.90
&rst
ixpk= 0, nxpk= 0, iat= 324, 984, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40, &end
#
# 24 TYR HB2 65 LEU QD1 3.95
&rst
ixpk= 0, nxpk= 0, iat= 324, -1, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82,
igr2= 988, 989, 990, 992, 993, 994,
&end
#
# 24 TYR HB2 65 LEU QD2 4.54
&rst
ixpk= 0, nxpk= 0, iat= 324, -1, r1= 1.30, r2= 1.80, r3= 6.12, r4= 6.62,
igr2= 988, 989, 990, 992, 993, 994,
&end
#
# 24 TYR HB3 150 ILE HA 4.76
&rst
ixpk= 0, nxpk= 0, iat= 325,2226, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26, &end
#
# 24 TYR HB3 150 ILE QG2 4.61
&rst
ixpk= 0, nxpk= 0, iat= 325, -1, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,
igr2=2230,2231,2232,
&end
#
# 24 TYR HB3 25 ILE H 5.23
&rst
ixpk= 0, nxpk= 0, iat= 325, 341, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73, &end
#
# 24 TYR HB3 65 LEU QD1 4.10
&rst
ixpk= 0, nxpk= 0, iat= 325, -1, r1= 1.30, r2= 1.80, r3= 5.53, r4= 6.03,
igr2= 988, 989, 990, 992, 993, 994,
&end
#
# 24 TYR HB3 65 LEU QD2 5.21
&rst
ixpk= 0, nxpk= 0, iat= 325, -1, r1= 1.30, r2= 1.80, r3= 7.02, r4= 7.52,
igr2= 988, 989, 990, 992, 993, 994,
&end
#
# 24 TYR HD 150 ILE HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,2226, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 328, 337,
&end
#
# 24 TYR HD 150 ILE QG2 3.08
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65,
igr1= 328, 337,
igr2=2230,2231,2232,
&end
#
# 24 TYR HD 151 GLU H 4.55
&rst
ixpk= 0, nxpk= 0, iat= -1,2243, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61,
igr1= 328, 337,
&end
#
# 24 TYR HD 151 GLU HA 3.85
&rst
ixpk= 0, nxpk= 0, iat= -1,2245, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82,
igr1= 328, 337,
&end
#
# 24 TYR HD 151 GLU HB3 5.01
&rst
ixpk= 0, nxpk= 0, iat= -1,2248, r1= 1.30, r2= 1.80, r3= 5.62, r4= 6.12,
igr1= 328, 337,
&end
#
# 24 TYR HD 152 LYS HA 3.65
&rst
ixpk= 0, nxpk= 0, iat= -1,2260, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,
igr1= 328, 337,
&end
#
# 24 TYR HD 152 LYS HG2 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,2265, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 328, 337,
&end
#
# 24 TYR HD 152 LYS HG3 4.23
&rst
ixpk= 0, nxpk= 0, iat= -1,2266, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25,
igr1= 328, 337,
&end
#
# 24 TYR HD 152 LYS QD 5.23
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.59, r4= 7.09,
igr1= 328, 337,
igr2=2268,2269,
&end
#
# 24 TYR HD 152 LYS QE 5.43
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.84, r4= 7.34,
igr1= 328, 337,
igr2=2271,2272,
&end
#
# 24 TYR HD 153 VAL H 4.62
&rst
ixpk= 0, nxpk= 0, iat= -1,2280, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,
igr1= 328, 337,
&end
#
# 24 TYR HD 153 VAL QG2 4.80
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.26, r4= 7.76,
igr1= 328, 337,
igr2=2286,2287,2288,2290,2291,2292,
&end
#
# 24 TYR HD 25 ILE H 4.31
&rst
ixpk= 0, nxpk= 0, iat= -1, 341, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,
igr1= 328, 337,
&end
#
# 24 TYR HD 65 LEU H 5.05
&rst
ixpk= 0, nxpk= 0, iat= -1, 979, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 328, 337,
&end
#
# 24 TYR HD 65 LEU HA 4.90
&rst
ixpk= 0, nxpk= 0, iat= -1, 981, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
igr1= 328, 337,
&end
#
# 24 TYR HD 65 LEU HB2 3.59
&rst
ixpk= 0, nxpk= 0, iat= -1, 983, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53,
igr1= 328, 337,
&end
#
# 24 TYR HD 65 LEU HB3 3.93
&rst
ixpk= 0, nxpk= 0, iat= -1, 984, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 328, 337,
&end
#
# 24 TYR HD 65 LEU HG 5.06
&rst
ixpk= 0, nxpk= 0, iat= -1, 986, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18,
igr1= 328, 337,
&end
#
# 24 TYR HD 65 LEU QD1 3.68
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07,
igr1= 328, 337,
igr2= 988, 989, 990, 992, 993, 994,
&end
#
# 24 TYR HE 150 ILE QG2 3.61
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37,
igr1= 330, 335,
igr2=2230,2231,2232,
&end
#
# 24 TYR HE 151 GLU HA 3.69
&rst
ixpk= 0, nxpk= 0, iat= -1,2245, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64,
igr1= 330, 335,
&end
#
# 24 TYR HE 152 LYS HA 3.74
&rst
ixpk= 0, nxpk= 0, iat= -1,2260, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1= 330, 335,
&end
#
# 24 TYR HE 152 LYS HB3 4.76
&rst
ixpk= 0, nxpk= 0, iat= -1,2263, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
igr1= 330, 335,
&end
#
# 24 TYR HE 152 LYS HG2 3.85
&rst
ixpk= 0, nxpk= 0, iat= -1,2265, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82,
igr1= 330, 335,
&end
#
# 24 TYR HE 152 LYS HG3 3.90
&rst
ixpk= 0, nxpk= 0, iat= -1,2266, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,
igr1= 330, 335,
&end
#
# 24 TYR HE 152 LYS QD 4.71
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43,
igr1= 330, 335,
igr2=2268,2269,
&end
#
# 24 TYR HE 152 LYS QE 3.57
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,
igr1= 330, 335,
igr2=2271,2272,
&end
#
# 24 TYR HE 65 LEU H 5.31
&rst
ixpk= 0, nxpk= 0, iat= -1, 979, r1= 1.30, r2= 1.80, r3= 5.96, r4= 6.46,
igr1= 330, 335,
&end
#
# 24 TYR HE 65 LEU HB3 3.92
&rst
ixpk= 0, nxpk= 0, iat= -1, 984, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,
igr1= 330, 335,
&end
#
# 24 TYR HE 65 LEU QD1 3.65
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02,
igr1= 330, 335,
igr2= 988, 989, 990, 992, 993, 994,
&end
#
# 25 ILE H 150 ILE HA 4.13
&rst
ixpk= 0, nxpk= 0, iat= 341,2226, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63, &end
#
# 25 ILE H 150 ILE QG2 4.88
&rst
ixpk= 0, nxpk= 0, iat= 341, -1, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36,
igr2=2230,2231,2232,
&end
#
# 25 ILE H 151 GLU H 4.83
&rst
ixpk= 0, nxpk= 0, iat= 341,2243, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33, &end
#
# 25 ILE H 152 LYS HA 4.57
&rst
ixpk= 0, nxpk= 0, iat= 341,2260, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07, &end
#
# 25 ILE H 153 VAL H 4.93
&rst
ixpk= 0, nxpk= 0, iat= 341,2280, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43, &end
#
# 25 ILE H 153 VAL QG2 3.70
&rst
ixpk= 0, nxpk= 0, iat= 341, -1, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49,
igr2=2286,2287,2288,2290,2291,2292,
&end
#
# 25 ILE H 25 ILE HG12 4.17
&rst
ixpk= 0, nxpk= 0, iat= 341, 351, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67, &end
#
# 25 ILE H 25 ILE HG13 4.21
&rst
ixpk= 0, nxpk= 0, iat= 341, 352, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71, &end
#
# 25 ILE H 25 ILE QD1 4.21
&rst
ixpk= 0, nxpk= 0, iat= 341, -1, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,
igr2= 354, 355, 356,
&end
#
# 25 ILE H 25 ILE QG2 3.87
&rst
ixpk= 0, nxpk= 0, iat= 341, -1, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,
igr2= 347, 348, 349,
&end
#
# 25 ILE H 26 ILE H 5.38
&rst
ixpk= 0, nxpk= 0, iat= 341, 360, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88, &end
#
# 25 ILE H 27 TYR HE 5.25
&rst
ixpk= 0, nxpk= 0, iat= 341, -1, r1= 1.30, r2= 1.80, r3= 5.89, r4= 6.39,
igr2= 389, 394,
&end
#
# 25 ILE HA 153 VAL QG2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 343, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2=2286,2287,2288,2290,2291,2292,
&end
#
# 25 ILE HA 25 ILE QG2 3.37
&rst
ixpk= 0, nxpk= 0, iat= 343, -1, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55,
igr2= 347, 348, 349,
&end
#
# 25 ILE HA 26 ILE QD1 5.33
&rst
ixpk= 0, nxpk= 0, iat= 343, -1, r1= 1.30, r2= 1.80, r3= 6.40, r4= 6.90,
igr2= 373, 374, 375,
&end
#
# 25 ILE HA 63 TRP HD1 3.67
&rst
ixpk= 0, nxpk= 0, iat= 343, 944, r1= 1.30, r2= 1.80, r3= 3.67, r4= 4.17, &end
#
# 25 ILE HB 151 GLU H 5.03
&rst
ixpk= 0, nxpk= 0, iat= 345,2243, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53, &end
#
# 25 ILE HB 25 ILE QD1 3.35
&rst
ixpk= 0, nxpk= 0, iat= 345, -1, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52,
igr2= 354, 355, 356,
&end
#
# 25 ILE HB 26 ILE H 4.03
&rst
ixpk= 0, nxpk= 0, iat= 345, 360, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53, &end
#
# 25 ILE HB 27 TYR HD 4.31
&rst
ixpk= 0, nxpk= 0, iat= 345, -1, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,
igr2= 387, 396,
&end
#
# 25 ILE HB 55 LEU QD1 4.14
&rst
ixpk= 0, nxpk= 0, iat= 345, -1, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08,
igr2= 843, 844, 845, 847, 848, 849,
&end
#
# 25 ILE HB 55 LEU QD2 4.45
&rst
ixpk= 0, nxpk= 0, iat= 345, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr2= 843, 844, 845, 847, 848, 849,
&end
#
# 25 ILE HB 63 TRP HD1 4.60
&rst
ixpk= 0, nxpk= 0, iat= 345, 944, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, &end
#
# 25 ILE HG12 150 ILE HA 5.29
&rst
ixpk= 0, nxpk= 0, iat= 351,2226, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79, &end
#
# 25 ILE HG12 150 ILE QG2 5.38
&rst
ixpk= 0, nxpk= 0, iat= 351, -1, r1= 1.30, r2= 1.80, r3= 6.46, r4= 6.96,
igr2=2230,2231,2232,
&end
#
# 25 ILE HG12 151 GLU H 4.57
&rst
ixpk= 0, nxpk= 0, iat= 351,2243, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07, &end
#
# 25 ILE HG12 151 GLU HB2 4.80
&rst
ixpk= 0, nxpk= 0, iat= 351,2247, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, &end
#
# 25 ILE HG12 153 VAL HA 4.07
&rst
ixpk= 0, nxpk= 0, iat= 351,2282, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57, &end
#
# 25 ILE HG12 27 TYR HD 4.28
&rst
ixpk= 0, nxpk= 0, iat= 351, -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr2= 387, 396,
&end
#
# 25 ILE HG13 151 GLU H 4.74
&rst
ixpk= 0, nxpk= 0, iat= 352,2243, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24, &end
#
# 25 ILE HG13 151 GLU HB2 4.80
&rst
ixpk= 0, nxpk= 0, iat= 352,2247, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, &end
#
# 25 ILE HG13 151 GLU HB3 4.80
&rst
ixpk= 0, nxpk= 0, iat= 352,2248, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, &end
#
# 25 ILE HG13 27 TYR HD 4.59
&rst
ixpk= 0, nxpk= 0, iat= 352, -1, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,
igr2= 387, 396,
&end
#
# 25 ILE HG13 27 TYR HE 4.28
&rst
ixpk= 0, nxpk= 0, iat= 352, -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr2= 389, 394,
&end
#
# 25 ILE HG13 55 LEU QD1 4.52
&rst
ixpk= 0, nxpk= 0, iat= 352, -1, r1= 1.30, r2= 1.80, r3= 6.09, r4= 6.59,
igr2= 843, 844, 845, 847, 848, 849,
&end
#
# 25 ILE QD1 151 GLU H 4.89
&rst
ixpk= 0, nxpk= 0, iat= -1,2243, r1= 1.30, r2= 1.80, r3= 5.87, r4= 6.37,
igr1= 354, 355, 356,
&end
#
# 25 ILE QD1 151 GLU HB2 4.38
&rst
ixpk= 0, nxpk= 0, iat= -1,2247, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76,
igr1= 354, 355, 356,
&end
#
# 25 ILE QD1 151 GLU HB3 4.47
&rst
ixpk= 0, nxpk= 0, iat= -1,2248, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,
igr1= 354, 355, 356,
&end
#
# 25 ILE QD1 153 VAL HA 4.61
&rst
ixpk= 0, nxpk= 0, iat= -1,2282, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,
igr1= 354, 355, 356,
&end
#
# 25 ILE QD1 27 TYR HB2 5.10
&rst
ixpk= 0, nxpk= 0, iat= -1, 383, r1= 1.30, r2= 1.80, r3= 6.12, r4= 6.62,
igr1= 354, 355, 356,
&end
#
# 25 ILE QD1 27 TYR HD 3.74
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr1= 354, 355, 356,
igr2= 387, 396,
&end
#
# 25 ILE QD1 27 TYR HE 3.97
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85,
igr1= 354, 355, 356,
igr2= 389, 394,
&end
#
# 25 ILE QD1 55 LEU HG 4.39
&rst
ixpk= 0, nxpk= 0, iat= -1, 841, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77,
igr1= 354, 355, 356,
&end
#
# 25 ILE QD1 55 LEU QD1 3.24
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75,
igr1= 354, 355, 356,
igr2= 843, 844, 845, 847, 848, 849,
&end
#
# 25 ILE QD1 55 LEU QD2 3.32
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,
igr1= 354, 355, 356,
igr2= 843, 844, 845, 847, 848, 849,
&end
#
# 25 ILE QG2 153 VAL HA 4.53
&rst
ixpk= 0, nxpk= 0, iat= -1,2282, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94,
igr1= 347, 348, 349,
&end
#
# 25 ILE QG2 153 VAL QG1 3.27
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79,
igr1= 347, 348, 349,
igr2=2286,2287,2288,2290,2291,2292,
&end
#
# 25 ILE QG2 153 VAL QG2 2.97
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.81, r4= 5.31,
igr1= 347, 348, 349,
igr2=2286,2287,2288,2290,2291,2292,
&end
#
# 25 ILE QG2 25 ILE HG12 3.77
&rst
ixpk= 0, nxpk= 0, iat= -1, 351, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
igr1= 347, 348, 349,
&end
#
# 25 ILE QG2 25 ILE HG13 3.29
&rst
ixpk= 0, nxpk= 0, iat= -1, 352, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45,
igr1= 347, 348, 349,
&end
#
# 25 ILE QG2 25 ILE QD1 3.12
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,
igr1= 347, 348, 349,
igr2= 354, 355, 356,
&end
#
# 25 ILE QG2 27 TYR HD 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 347, 348, 349,
igr2= 387, 396,
&end
#
# 25 ILE QG2 27 TYR HE 4.76
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.42, r4= 6.92,
igr1= 347, 348, 349,
igr2= 389, 394,
&end
#
# 25 ILE QG2 63 TRP H 3.77
&rst
ixpk= 0, nxpk= 0, iat= -1, 936, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
igr1= 347, 348, 349,
&end
#
# 25 ILE QG2 63 TRP HD1 3.82
&rst
ixpk= 0, nxpk= 0, iat= -1, 944, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09,
igr1= 347, 348, 349,
&end
#
# 26 ILE H 26 ILE HG12 4.77
&rst
ixpk= 0, nxpk= 0, iat= 360, 370, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27, &end
#
# 26 ILE H 26 ILE QD1 4.56
&rst
ixpk= 0, nxpk= 0, iat= 360, -1, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98,
igr2= 373, 374, 375,
&end
#
# 26 ILE H 26 ILE QG2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 360, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 366, 367, 368,
&end
#
# 26 ILE H 27 TYR H 5.50
&rst
ixpk= 0, nxpk= 0, iat= 360, 379, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 26 ILE H 63 TRP HB2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 360, 940, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 26 ILE H 63 TRP HD1 3.71
&rst
ixpk= 0, nxpk= 0, iat= 360, 944, r1= 1.30, r2= 1.80, r3= 3.71, r4= 4.21, &end
#
# 26 ILE HA 150 ILE QD1 4.76
&rst
ixpk= 0, nxpk= 0, iat= 362, -1, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,
igr2=2237,2238,2239,
&end
#
# 26 ILE HA 150 ILE QG2 3.77
&rst
ixpk= 0, nxpk= 0, iat= 362, -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
igr2=2230,2231,2232,
&end
#
# 26 ILE HA 26 ILE QG2 3.94
&rst
ixpk= 0, nxpk= 0, iat= 362, -1, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,
igr2= 366, 367, 368,
&end
#
# 26 ILE HA 27 TYR HD 5.48
&rst
ixpk= 0, nxpk= 0, iat= 362, -1, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65,
igr2= 387, 396,
&end
#
# 26 ILE HB 26 ILE QD1 3.54
&rst
ixpk= 0, nxpk= 0, iat= 364, -1, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75,
igr2= 373, 374, 375,
&end
#
# 26 ILE HB 40 LEU QD2 4.62
&rst
ixpk= 0, nxpk= 0, iat= 364, -1, r1= 1.30, r2= 1.80, r3= 6.23, r4= 6.73,
igr2= 604, 605, 606, 608, 609, 610,
&end
#
# 26 ILE HG12 116 ILE QD1 5.50
&rst
ixpk= 0, nxpk= 0, iat= 370, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1741,1742,1743,
&end
#
# 26 ILE HG12 150 ILE HG13 5.50
&rst
ixpk= 0, nxpk= 0, iat= 370,2235, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 26 ILE HG12 150 ILE QD1 4.37
&rst
ixpk= 0, nxpk= 0, iat= 370, -1, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75,
igr2=2237,2238,2239,
&end
#
# 26 ILE HG12 150 ILE QG2 4.32
&rst
ixpk= 0, nxpk= 0, iat= 370, -1, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,
igr2=2230,2231,2232,
&end
#
# 26 ILE HG12 40 LEU QD2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 370, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2= 604, 605, 606, 608, 609, 610,
&end
#
# 26 ILE HG13 150 ILE QD1 4.56
&rst
ixpk= 0, nxpk= 0, iat= 371, -1, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98,
igr2=2237,2238,2239,
&end
#
# 26 ILE HG13 63 TRP HD1 5.50
&rst
ixpk= 0, nxpk= 0, iat= 371, 944, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 26 ILE QD1 116 ILE QD1 4.19
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.04, r4= 6.54,
igr1= 373, 374, 375,
igr2=1741,1742,1743,
&end
#
# 26 ILE QD1 116 ILE QG2 4.62
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.66, r4= 7.16,
igr1= 373, 374, 375,
igr2=1734,1735,1736,
&end
#
# 26 ILE QD1 125 TRP HE3 4.79
&rst
ixpk= 0, nxpk= 0, iat= -1,1889, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25,
igr1= 373, 374, 375,
&end
#
# 26 ILE QD1 125 TRP HH2 3.19
&rst
ixpk= 0, nxpk= 0, iat= -1,1885, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33,
igr1= 373, 374, 375,
&end
#
# 26 ILE QD1 125 TRP HZ3 4.19
&rst
ixpk= 0, nxpk= 0, iat= -1,1887, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,
igr1= 373, 374, 375,
&end
#
# 26 ILE QD1 150 ILE QD1 4.93
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.11, r4= 7.61,
igr1= 373, 374, 375,
igr2=2237,2238,2239,
&end
#
# 26 ILE QD1 40 LEU QD2 3.48
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13,
igr1= 373, 374, 375,
igr2= 604, 605, 606, 608, 609, 610,
&end
#
# 26 ILE QD1 63 TRP HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 938, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 373, 374, 375,
&end
#
# 26 ILE QD1 63 TRP HB2 4.91
&rst
ixpk= 0, nxpk= 0, iat= -1, 940, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,
igr1= 373, 374, 375,
&end
#
# 26 ILE QD1 63 TRP HB3 4.83
&rst
ixpk= 0, nxpk= 0, iat= -1, 941, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
igr1= 373, 374, 375,
&end
#
# 26 ILE QD1 63 TRP HD1 4.29
&rst
ixpk= 0, nxpk= 0, iat= -1, 944, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,
igr1= 373, 374, 375,
&end
#
# 26 ILE QD1 63 TRP HE1 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 946, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 373, 374, 375,
&end
#
# 26 ILE QD1 63 TRP HE3 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 955, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 373, 374, 375,
&end
#
# 26 ILE QG2 116 ILE QD1 3.86
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07,
igr1= 366, 367, 368,
igr2=1741,1742,1743,
&end
#
# 26 ILE QG2 116 ILE QG2 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
igr1= 366, 367, 368,
igr2=1734,1735,1736,
&end
#
# 26 ILE QG2 125 TRP HE3 3.86
&rst
ixpk= 0, nxpk= 0, iat= -1,1889, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,
igr1= 366, 367, 368,
&end
#
# 26 ILE QG2 125 TRP HZ3 5.26
&rst
ixpk= 0, nxpk= 0, iat= -1,1887, r1= 1.30, r2= 1.80, r3= 6.32, r4= 6.82,
igr1= 366, 367, 368,
&end
#
# 26 ILE QG2 148 TRP HB2 4.08
&rst
ixpk= 0, nxpk= 0, iat= -1,2188, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,
igr1= 366, 367, 368,
&end
#
# 26 ILE QG2 148 TRP HB3 4.82
&rst
ixpk= 0, nxpk= 0, iat= -1,2189, r1= 1.30, r2= 1.80, r3= 5.79, r4= 6.29,
igr1= 366, 367, 368,
&end
#
# 26 ILE QG2 148 TRP HE3 3.35
&rst
ixpk= 0, nxpk= 0, iat= -1,2203, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52,
igr1= 366, 367, 368,
&end
#
# 26 ILE QG2 148 TRP HZ3 4.20
&rst
ixpk= 0, nxpk= 0, iat= -1,2201, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr1= 366, 367, 368,
&end
#
# 26 ILE QG2 150 ILE HA 5.17
&rst
ixpk= 0, nxpk= 0, iat= -1,2226, r1= 1.30, r2= 1.80, r3= 6.21, r4= 6.71,
igr1= 366, 367, 368,
&end
#
# 26 ILE QG2 150 ILE HG12 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1,2234, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 366, 367, 368,
&end
#
# 26 ILE QG2 150 ILE QD1 4.43
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.39, r4= 6.89,
igr1= 366, 367, 368,
igr2=2237,2238,2239,
&end
#
# 26 ILE QG2 151 GLU H 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,2243, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 366, 367, 368,
&end
#
# 26 ILE QG2 26 ILE HG12 3.80
&rst
ixpk= 0, nxpk= 0, iat= -1, 370, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06,
igr1= 366, 367, 368,
&end
#
# 26 ILE QG2 26 ILE QD1 3.44
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,
igr1= 366, 367, 368,
igr2= 373, 374, 375,
&end
#
# 26 ILE QG2 27 TYR H 3.98
&rst
ixpk= 0, nxpk= 0, iat= -1, 379, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28,
igr1= 366, 367, 368,
&end
#
# 26 ILE QG2 27 TYR HA 5.34
&rst
ixpk= 0, nxpk= 0, iat= -1, 381, r1= 1.30, r2= 1.80, r3= 6.41, r4= 6.91,
igr1= 366, 367, 368,
&end
#
# 26 ILE QG2 28 ASN H 5.17
&rst
ixpk= 0, nxpk= 0, iat= -1, 400, r1= 1.30, r2= 1.80, r3= 6.21, r4= 6.71,
igr1= 366, 367, 368,
&end
#
# 26 ILE QG2 40 LEU HB2 5.23
&rst
ixpk= 0, nxpk= 0, iat= -1, 599, r1= 1.30, r2= 1.80, r3= 6.28, r4= 6.78,
igr1= 366, 367, 368,
&end
#
# 26 ILE QG2 40 LEU QD2 4.32
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.99, r4= 7.49,
igr1= 366, 367, 368,
igr2= 604, 605, 606, 608, 609, 610,
&end
#
# 27 TYR H 148 TRP HE3 5.01
&rst
ixpk= 0, nxpk= 0, iat= 379,2203, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51, &end
#
# 27 TYR H 149 VAL H 4.54
&rst
ixpk= 0, nxpk= 0, iat= 379,2208, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04, &end
#
# 27 TYR H 149 VAL QG1 4.89
&rst
ixpk= 0, nxpk= 0, iat= 379, -1, r1= 1.30, r2= 1.80, r3= 6.59, r4= 7.09,
igr2=2214,2215,2216,2218,2219,2220,
&end
#
# 27 TYR H 149 VAL QG2 4.92
&rst
ixpk= 0, nxpk= 0, iat= 379, -1, r1= 1.30, r2= 1.80, r3= 6.63, r4= 7.13,
igr2=2214,2215,2216,2218,2219,2220,
&end
#
# 27 TYR H 150 ILE H 5.17
&rst
ixpk= 0, nxpk= 0, iat= 379,2224, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67, &end
#
# 27 TYR H 150 ILE HG13 5.50
&rst
ixpk= 0, nxpk= 0, iat= 379,2235, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 27 TYR H 150 ILE QD1 5.50
&rst
ixpk= 0, nxpk= 0, iat= 379, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=2237,2238,2239,
&end
#
# 27 TYR H 27 TYR HD 4.44
&rst
ixpk= 0, nxpk= 0, iat= 379, -1, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48,
igr2= 387, 396,
&end
#
# 27 TYR H 28 ASN H 5.50
&rst
ixpk= 0, nxpk= 0, iat= 379, 400, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 27 TYR HA 148 TRP HZ3 5.16
&rst
ixpk= 0, nxpk= 0, iat= 381,2201, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66, &end
#
# 27 TYR HA 27 TYR HD 4.31
&rst
ixpk= 0, nxpk= 0, iat= 381, -1, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,
igr2= 387, 396,
&end
#
# 27 TYR HA 38 LEU HA 5.37
&rst
ixpk= 0, nxpk= 0, iat= 381, 568, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87, &end
#
# 27 TYR HA 39 ALA H 5.17
&rst
ixpk= 0, nxpk= 0, iat= 381, 585, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67, &end
#
# 27 TYR HA 39 ALA HA 4.50
&rst
ixpk= 0, nxpk= 0, iat= 381, 587, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 27 TYR HA 39 ALA QB 4.02
&rst
ixpk= 0, nxpk= 0, iat= 381, -1, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
igr2= 589, 590, 591,
&end
#
# 27 TYR HA 40 LEU H 4.44
&rst
ixpk= 0, nxpk= 0, iat= 381, 595, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94, &end
#
# 27 TYR HB2 28 ASN H 4.65
&rst
ixpk= 0, nxpk= 0, iat= 383, 400, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15, &end
#
# 27 TYR HB2 39 ALA HA 5.19
&rst
ixpk= 0, nxpk= 0, iat= 383, 587, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69, &end
#
# 27 TYR HB2 39 ALA QB 4.89
&rst
ixpk= 0, nxpk= 0, iat= 383, -1, r1= 1.30, r2= 1.80, r3= 5.87, r4= 6.37,
igr2= 589, 590, 591,
&end
#
# 27 TYR HB2 55 LEU QD1 5.28
&rst
ixpk= 0, nxpk= 0, iat= 383, -1, r1= 1.30, r2= 1.80, r3= 7.12, r4= 7.62,
igr2= 843, 844, 845, 847, 848, 849,
&end
#
# 27 TYR HB3 28 ASN H 4.33
&rst
ixpk= 0, nxpk= 0, iat= 384, 400, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83, &end
#
# 27 TYR HB3 39 ALA H 5.50
&rst
ixpk= 0, nxpk= 0, iat= 384, 585, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 27 TYR HB3 39 ALA QB 4.75
&rst
ixpk= 0, nxpk= 0, iat= 384, -1, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,
igr2= 589, 590, 591,
&end
#
# 27 TYR HD 149 VAL HB 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,2212, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 387, 396,
&end
#
# 27 TYR HD 149 VAL QG1 4.74
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.17, r4= 7.67,
igr1= 387, 396,
igr2=2214,2215,2216,2218,2219,2220,
&end
#
# 27 TYR HD 149 VAL QG2 3.78
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,
igr1= 387, 396,
igr2=2214,2215,2216,2218,2219,2220,
&end
#
# 27 TYR HD 150 ILE HA 4.94
&rst
ixpk= 0, nxpk= 0, iat= -1,2226, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,
igr1= 387, 396,
&end
#
# 27 TYR HD 31 LEU QD1 5.25
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.94, r4= 8.44,
igr1= 387, 396,
igr2= 463, 464, 465, 467, 468, 469,
&end
#
# 27 TYR HD 31 LEU QD2 4.26
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.45, r4= 6.95,
igr1= 387, 396,
igr2= 463, 464, 465, 467, 468, 469,
&end
#
# 27 TYR HD 39 ALA HA 4.29
&rst
ixpk= 0, nxpk= 0, iat= -1, 587, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32,
igr1= 387, 396,
&end
#
# 27 TYR HD 39 ALA QB 4.62
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.23, r4= 6.73,
igr1= 387, 396,
igr2= 589, 590, 591,
&end
#
# 27 TYR HD 55 LEU QD1 4.27
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.46, r4= 6.96,
igr1= 387, 396,
igr2= 843, 844, 845, 847, 848, 849,
&end
#
# 27 TYR HD 55 LEU QD2 4.59
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.95, r4= 7.45,
igr1= 387, 396,
igr2= 843, 844, 845, 847, 848, 849,
&end
#
# 27 TYR HE 149 VAL QG1 3.90
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,
igr1= 389, 394,
igr2=2214,2215,2216,2218,2219,2220,
&end
#
# 27 TYR HE 149 VAL QG2 3.66
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,
igr1= 389, 394,
igr2=2214,2215,2216,2218,2219,2220,
&end
#
# 27 TYR HE 151 GLU H 4.81
&rst
ixpk= 0, nxpk= 0, iat= -1,2243, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 389, 394,
&end
#
# 27 TYR HE 151 GLU HB2 4.80
&rst
ixpk= 0, nxpk= 0, iat= -1,2247, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1= 389, 394,
&end
#
# 27 TYR HE 151 GLU HB3 4.22
&rst
ixpk= 0, nxpk= 0, iat= -1,2248, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,
igr1= 389, 394,
&end
#
# 27 TYR HE 151 GLU HG2 4.47
&rst
ixpk= 0, nxpk= 0, iat= -1,2250, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52,
igr1= 389, 394,
&end
#
# 27 TYR HE 151 GLU HG3 5.06
&rst
ixpk= 0, nxpk= 0, iat= -1,2251, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18,
igr1= 389, 394,
&end
#
# 27 TYR HE 31 LEU QD1 4.83
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.31, r4= 7.81,
igr1= 389, 394,
igr2= 463, 464, 465, 467, 468, 469,
&end
#
# 27 TYR HE 31 LEU QD2 3.88
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.87, r4= 6.37,
igr1= 389, 394,
igr2= 463, 464, 465, 467, 468, 469,
&end
#
# 27 TYR HE 37 LYS HE2 4.37
&rst
ixpk= 0, nxpk= 0, iat= -1, 557, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,
igr1= 389, 394,
&end
#
# 27 TYR HE 37 LYS HE3 4.39
&rst
ixpk= 0, nxpk= 0, iat= -1, 558, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43,
igr1= 389, 394,
&end
#
# 27 TYR HE 55 LEU QD2 5.37
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.13, r4= 8.63,
igr1= 389, 394,
igr2= 843, 844, 845, 847, 848, 849,
&end
#
# 28 ASN H 127 LEU QD2 5.24
&rst
ixpk= 0, nxpk= 0, iat= 400, -1, r1= 1.30, r2= 1.80, r3= 7.06, r4= 7.56,
igr2=1914,1915,1916,1918,1919,1920,
&end
#
# 28 ASN H 148 TRP HE3 5.18
&rst
ixpk= 0, nxpk= 0, iat= 400,2203, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68, &end
#
# 28 ASN H 148 TRP HZ3 4.53
&rst
ixpk= 0, nxpk= 0, iat= 400,2201, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03, &end
#
# 28 ASN H 28 ASN HB3 4.21
&rst
ixpk= 0, nxpk= 0, iat= 400, 405, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71, &end
#
# 28 ASN H 30 VAL H 5.50
&rst
ixpk= 0, nxpk= 0, iat= 400, 438, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 28 ASN H 39 ALA HA 4.92
&rst
ixpk= 0, nxpk= 0, iat= 400, 587, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42, &end
#
# 28 ASN H 39 ALA QB 5.20
&rst
ixpk= 0, nxpk= 0, iat= 400, -1, r1= 1.30, r2= 1.80, r3= 6.24, r4= 6.74,
igr2= 589, 590, 591,
&end
#
# 28 ASN H 40 LEU H 5.50
&rst
ixpk= 0, nxpk= 0, iat= 400, 595, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 28 ASN HA 148 TRP HA 4.39
&rst
ixpk= 0, nxpk= 0, iat= 402,2186, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89, &end
#
# 28 ASN HA 148 TRP HE3 4.48
&rst
ixpk= 0, nxpk= 0, iat= 402,2203, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98, &end
#
# 28 ASN HA 148 TRP HZ3 5.12
&rst
ixpk= 0, nxpk= 0, iat= 402,2201, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62, &end
#
# 28 ASN HA 28 ASN HND1 5.50
&rst
ixpk= 0, nxpk= 0, iat= 402, 410, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 28 ASN HA 28 ASN HND2 5.09
&rst
ixpk= 0, nxpk= 0, iat= 402, 409, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59, &end
#
# 28 ASN HB3 127 LEU QD2 3.98
&rst
ixpk= 0, nxpk= 0, iat= 405, -1, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,
igr2=1914,1915,1916,1918,1919,1920,
&end
#
# 28 ASN HB3 148 TRP HH2 5.00
&rst
ixpk= 0, nxpk= 0, iat= 405,2199, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 28 ASN HB3 148 TRP HZ3 5.00
&rst
ixpk= 0, nxpk= 0, iat= 405,2201, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 28 ASN HB3 148 TRP HE3 5.00
&rst
ixpk= 0, nxpk= 0, iat= 405,2203, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 28 ASN HB3 148 TRP HZ3 4.51
&rst
ixpk= 0, nxpk= 0, iat= 405,2201, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01, &end
#
# 28 ASN HND1 127 LEU QD2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 410, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2=1914,1915,1916,1918,1919,1920,
&end
#
# 28 ASN HND1 148 TRP HA 5.00
&rst
ixpk= 0, nxpk= 0, iat= 410,2186, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 28 ASN HND1 148 TRP HZ3 5.00
&rst
ixpk= 0, nxpk= 0, iat= 410,2201, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 28 ASN HND2 127 LEU QD1 5.50
&rst
ixpk= 0, nxpk= 0, iat= 409, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2=1914,1915,1916,1918,1919,1920,
&end
#
# 28 ASN HND2 127 LEU QD2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 409, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2=1914,1915,1916,1918,1919,1920,
&end
#
# 28 ASN HND2 148 TRP HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= 409,2186, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 29 ARG H 148 TRP HA 4.21
&rst
ixpk= 0, nxpk= 0, iat= 414,2186, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71, &end
#
# 29 ARG H 148 TRP HE3 5.13
&rst
ixpk= 0, nxpk= 0, iat= 414,2203, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63, &end
#
# 29 ARG H 149 VAL H 4.95
&rst
ixpk= 0, nxpk= 0, iat= 414,2208, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45, &end
#
# 29 ARG H 149 VAL QG2 3.87
&rst
ixpk= 0, nxpk= 0, iat= 414, -1, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
igr2=2214,2215,2216,2218,2219,2220,
&end
#
# 29 ARG H 29 ARG HB2 4.01
&rst
ixpk= 0, nxpk= 0, iat= 414, 418, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51, &end
#
# 29 ARG H 29 ARG HB3 4.08
&rst
ixpk= 0, nxpk= 0, iat= 414, 419, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58, &end
#
# 29 ARG H 29 ARG HD3 5.48
&rst
ixpk= 0, nxpk= 0, iat= 414, 425, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98, &end
#
# 29 ARG H 29 ARG HG2 5.03
&rst
ixpk= 0, nxpk= 0, iat= 414, 421, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53, &end
#
# 29 ARG H 29 ARG HG3 4.97
&rst
ixpk= 0, nxpk= 0, iat= 414, 422, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47, &end
#
# 29 ARG H 30 VAL H 4.60
&rst
ixpk= 0, nxpk= 0, iat= 414, 438, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, &end
#
# 29 ARG H 30 VAL HB 5.14
&rst
ixpk= 0, nxpk= 0, iat= 414, 442, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64, &end
#
# 29 ARG H 30 VAL QG2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 414, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2= 444, 445, 446, 448, 449, 450,
&end
#
# 29 ARG H 31 LEU QD2 5.24
&rst
ixpk= 0, nxpk= 0, iat= 414, -1, r1= 1.30, r2= 1.80, r3= 7.06, r4= 7.56,
igr2= 463, 464, 465, 467, 468, 469,
&end
#
# 29 ARG HA 149 VAL QG2 4.52
&rst
ixpk= 0, nxpk= 0, iat= 416, -1, r1= 1.30, r2= 1.80, r3= 6.09, r4= 6.59,
igr2=2214,2215,2216,2218,2219,2220,
&end
#
# 29 ARG HA 29 ARG HD2 4.44
&rst
ixpk= 0, nxpk= 0, iat= 416, 424, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94, &end
#
# 29 ARG HA 29 ARG HD3 5.04
&rst
ixpk= 0, nxpk= 0, iat= 416, 425, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54, &end
#
# 29 ARG HA 29 ARG HE 5.06
&rst
ixpk= 0, nxpk= 0, iat= 416, 427, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56, &end
#
# 29 ARG HA 29 ARG HG2 3.75
&rst
ixpk= 0, nxpk= 0, iat= 416, 421, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25, &end
#
# 29 ARG HA 29 ARG HG3 4.25
&rst
ixpk= 0, nxpk= 0, iat= 416, 422, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75, &end
#
# 29 ARG HA 31 LEU QD1 5.50
&rst
ixpk= 0, nxpk= 0, iat= 416, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2= 463, 464, 465, 467, 468, 469,
&end
#
# 29 ARG HA 31 LEU QD2 4.36
&rst
ixpk= 0, nxpk= 0, iat= 416, -1, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
igr2= 463, 464, 465, 467, 468, 469,
&end
#
# 29 ARG HB2 148 TRP HA 4.73
&rst
ixpk= 0, nxpk= 0, iat= 418,2186, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23, &end
#
# 29 ARG HB2 149 VAL QG2 5.07
&rst
ixpk= 0, nxpk= 0, iat= 418, -1, r1= 1.30, r2= 1.80, r3= 6.83, r4= 7.33,
igr2=2214,2215,2216,2218,2219,2220,
&end
#
# 29 ARG HB2 29 ARG HE 4.60
&rst
ixpk= 0, nxpk= 0, iat= 418, 427, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, &end
#
# 29 ARG HB2 30 VAL H 4.37
&rst
ixpk= 0, nxpk= 0, iat= 418, 438, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87, &end
#
# 29 ARG HB2 30 VAL QG2 4.95
&rst
ixpk= 0, nxpk= 0, iat= 418, -1, r1= 1.30, r2= 1.80, r3= 6.67, r4= 7.17,
igr2= 444, 445, 446, 448, 449, 450,
&end
#
# 29 ARG HB3 148 TRP HA 5.09
&rst
ixpk= 0, nxpk= 0, iat= 419,2186, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59, &end
#
# 29 ARG HB3 29 ARG HE 4.93
&rst
ixpk= 0, nxpk= 0, iat= 419, 427, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43, &end
#
# 29 ARG HB3 30 VAL H 5.39
&rst
ixpk= 0, nxpk= 0, iat= 419, 438, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89, &end
#
# 29 ARG HG2 149 VAL QG1 5.22
&rst
ixpk= 0, nxpk= 0, iat= 421, -1, r1= 1.30, r2= 1.80, r3= 7.04, r4= 7.54,
igr2=2214,2215,2216,2218,2219,2220,
&end
#
# 29 ARG HG2 149 VAL QG2 4.90
&rst
ixpk= 0, nxpk= 0, iat= 421, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=2214,2215,2216,2218,2219,2220,
&end
#
# 29 ARG HG3 149 VAL QG2 5.19
&rst
ixpk= 0, nxpk= 0, iat= 422, -1, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,
igr2=2214,2215,2216,2218,2219,2220,
&end
#
# 30 VAL H 127 LEU QD2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 438, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2=1914,1915,1916,1918,1919,1920,
&end
#
# 30 VAL H 130 ALA QB 4.68
&rst
ixpk= 0, nxpk= 0, iat= 438, -1, r1= 1.30, r2= 1.80, r3= 5.62, r4= 6.12,
igr2=1956,1957,1958,
&end
#
# 30 VAL H 145 SER HA 4.70
&rst
ixpk= 0, nxpk= 0, iat= 438,2144, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, &end
#
# 30 VAL H 30 VAL HB 4.09
&rst
ixpk= 0, nxpk= 0, iat= 438, 442, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59, &end
#
# 30 VAL H 30 VAL QG1 4.23
&rst
ixpk= 0, nxpk= 0, iat= 438, -1, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,
igr2= 444, 445, 446, 448, 449, 450,
&end
#
# 30 VAL H 30 VAL QG2 3.88
&rst
ixpk= 0, nxpk= 0, iat= 438, -1, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73,
igr2= 444, 445, 446, 448, 449, 450,
&end
#
# 30 VAL HA 130 ALA QB 5.04
&rst
ixpk= 0, nxpk= 0, iat= 440, -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
igr2=1956,1957,1958,
&end
#
# 30 VAL HA 30 VAL QG1 4.06
&rst
ixpk= 0, nxpk= 0, iat= 440, -1, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
igr2= 444, 445, 446, 448, 449, 450,
&end
#
# 30 VAL HA 30 VAL QG2 4.00
&rst
ixpk= 0, nxpk= 0, iat= 440, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr2= 444, 445, 446, 448, 449, 450,
&end
#
# 30 VAL HB 130 ALA QB 4.25
&rst
ixpk= 0, nxpk= 0, iat= 442, -1, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
igr2=1956,1957,1958,
&end
#
# 30 VAL HB 31 LEU H 5.00
&rst
ixpk= 0, nxpk= 0, iat= 442, 454, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 30 VAL QG1 130 ALA QB 3.67
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr1= 444, 445, 446, 448, 449, 450,
igr2=1956,1957,1958,
&end
#
# 30 VAL QG1 144 PHE HB2 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1,2126, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1= 444, 445, 446, 448, 449, 450,
&end
#
# 30 VAL QG1 144 PHE HB3 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1,2127, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1= 444, 445, 446, 448, 449, 450,
&end
#
# 30 VAL QG1 144 PHE HD 3.89
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.89, r4= 6.39,
igr1= 444, 445, 446, 448, 449, 450,
igr2=2130,2138,
&end
#
# 30 VAL QG1 144 PHE HE 4.03
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.10, r4= 6.60,
igr1= 444, 445, 446, 448, 449, 450,
igr2=2132,2136,
&end
#
# 30 VAL QG1 145 SER H 5.48
&rst
ixpk= 0, nxpk= 0, iat= -1,2142, r1= 1.30, r2= 1.80, r3= 7.39, r4= 7.89,
igr1= 444, 445, 446, 448, 449, 450,
&end
#
# 30 VAL QG1 145 SER HA 4.93
&rst
ixpk= 0, nxpk= 0, iat= -1,2144, r1= 1.30, r2= 1.80, r3= 6.65, r4= 7.15,
igr1= 444, 445, 446, 448, 449, 450,
&end
#
# 30 VAL QG1 145 SER HB3 5.18
&rst
ixpk= 0, nxpk= 0, iat= -1,2147, r1= 1.30, r2= 1.80, r3= 6.98, r4= 7.48,
igr1= 444, 445, 446, 448, 449, 450,
&end
#
# 30 VAL QG1 31 LEU H 4.26
&rst
ixpk= 0, nxpk= 0, iat= -1, 454, r1= 1.30, r2= 1.80, r3= 5.74, r4= 6.24,
igr1= 444, 445, 446, 448, 449, 450,
&end
#
# 30 VAL QG2 130 ALA QB 4.21
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.82, r4= 7.32,
igr1= 444, 445, 446, 448, 449, 450,
igr2=1956,1957,1958,
&end
#
# 30 VAL QG2 144 PHE H 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,2122, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 444, 445, 446, 448, 449, 450,
&end
#
# 30 VAL QG2 144 PHE HA 3.89
&rst
ixpk= 0, nxpk= 0, iat= -1,2124, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,
igr1= 444, 445, 446, 448, 449, 450,
&end
#
# 30 VAL QG2 144 PHE HB2 4.80
&rst
ixpk= 0, nxpk= 0, iat= -1,2126, r1= 1.30, r2= 1.80, r3= 6.47, r4= 6.97,
igr1= 444, 445, 446, 448, 449, 450,
&end
#
# 30 VAL QG2 144 PHE HB3 4.80
&rst
ixpk= 0, nxpk= 0, iat= -1,2127, r1= 1.30, r2= 1.80, r3= 6.47, r4= 6.97,
igr1= 444, 445, 446, 448, 449, 450,
&end
#
# 30 VAL QG2 144 PHE HD 3.56
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1= 444, 445, 446, 448, 449, 450,
igr2=2130,2138,
&end
#
# 30 VAL QG2 144 PHE HE 3.88
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.87, r4= 6.37,
igr1= 444, 445, 446, 448, 449, 450,
igr2=2132,2136,
&end
#
# 30 VAL QG2 145 SER H 4.27
&rst
ixpk= 0, nxpk= 0, iat= -1,2142, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26,
igr1= 444, 445, 446, 448, 449, 450,
&end
#
# 30 VAL QG2 145 SER HA 3.42
&rst
ixpk= 0, nxpk= 0, iat= -1,2144, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,
igr1= 444, 445, 446, 448, 449, 450,
&end
#
# 30 VAL QG2 145 SER HB3 4.59
&rst
ixpk= 0, nxpk= 0, iat= -1,2147, r1= 1.30, r2= 1.80, r3= 6.19, r4= 6.69,
igr1= 444, 445, 446, 448, 449, 450,
&end
#
# 30 VAL QG2 146 GLY H 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,2153, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 444, 445, 446, 448, 449, 450,
&end
#
# 31 LEU H 130 ALA QB 5.06
&rst
ixpk= 0, nxpk= 0, iat= 454, -1, r1= 1.30, r2= 1.80, r3= 6.08, r4= 6.58,
igr2=1956,1957,1958,
&end
#
# 31 LEU H 31 LEU QD1 4.41
&rst
ixpk= 0, nxpk= 0, iat= 454, -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr2= 463, 464, 465, 467, 468, 469,
&end
#
# 31 LEU H 31 LEU QD2 4.42
&rst
ixpk= 0, nxpk= 0, iat= 454, -1, r1= 1.30, r2= 1.80, r3= 5.96, r4= 6.46,
igr2= 463, 464, 465, 467, 468, 469,
&end
#
# 31 LEU H 38 LEU HB3 5.01
&rst
ixpk= 0, nxpk= 0, iat= 454, 571, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51, &end
#
# 31 LEU HA 31 LEU QD1 3.91
&rst
ixpk= 0, nxpk= 0, iat= 456, -1, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77,
igr2= 463, 464, 465, 467, 468, 469,
&end
#
# 31 LEU HA 31 LEU QD2 5.42
&rst
ixpk= 0, nxpk= 0, iat= 456, -1, r1= 1.30, r2= 1.80, r3= 7.31, r4= 7.81,
igr2= 463, 464, 465, 467, 468, 469,
&end
#
# 31 LEU HA 38 LEU QD2 3.89
&rst
ixpk= 0, nxpk= 0, iat= 456, -1, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,
igr2= 575, 576, 577, 579, 580, 581,
&end
#
# 31 LEU QD1 32 SER H 4.60
&rst
ixpk= 0, nxpk= 0, iat= -1, 473, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70,
igr1= 463, 464, 465, 467, 468, 469,
&end
#
# 31 LEU QD1 35 GLY HA3 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 525, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 463, 464, 465, 467, 468, 469,
&end
#
# 31 LEU QD1 36 GLU H 5.01
&rst
ixpk= 0, nxpk= 0, iat= -1, 529, r1= 1.30, r2= 1.80, r3= 6.75, r4= 7.25,
igr1= 463, 464, 465, 467, 468, 469,
&end
#
# 31 LEU QD1 36 GLU HA 5.46
&rst
ixpk= 0, nxpk= 0, iat= -1, 531, r1= 1.30, r2= 1.80, r3= 7.36, r4= 7.86,
igr1= 463, 464, 465, 467, 468, 469,
&end
#
# 31 LEU QD1 37 LYS H 4.46
&rst
ixpk= 0, nxpk= 0, iat= -1, 544, r1= 1.30, r2= 1.80, r3= 6.01, r4= 6.51,
igr1= 463, 464, 465, 467, 468, 469,
&end
#
# 31 LEU QD1 37 LYS HA 3.93
&rst
ixpk= 0, nxpk= 0, iat= -1, 546, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 463, 464, 465, 467, 468, 469,
&end
#
# 31 LEU QD1 37 LYS HE2 4.65
&rst
ixpk= 0, nxpk= 0, iat= -1, 557, r1= 1.30, r2= 1.80, r3= 6.27, r4= 6.77,
igr1= 463, 464, 465, 467, 468, 469,
&end
#
# 31 LEU QD1 38 LEU H 4.79
&rst
ixpk= 0, nxpk= 0, iat= -1, 566, r1= 1.30, r2= 1.80, r3= 6.46, r4= 6.96,
igr1= 463, 464, 465, 467, 468, 469,
&end
#
# 31 LEU QD1 38 LEU QD2 5.17
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.39, r4= 9.89,
igr1= 463, 464, 465, 467, 468, 469,
igr2= 575, 576, 577, 579, 580, 581,
&end
#
# 31 LEU QD2 37 LYS HE2 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 557, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 463, 464, 465, 467, 468, 469,
&end
#
# 31 LEU QD2 37 LYS HE3 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 558, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 463, 464, 465, 467, 468, 469,
&end
#
# 31 LEU QD2 38 LEU HB3 4.02
&rst
ixpk= 0, nxpk= 0, iat= -1, 571, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,
igr1= 463, 464, 465, 467, 468, 469,
&end
#
# 31 LEU QD2 38 LEU QD2 4.93
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.96, r4= 9.46,
igr1= 463, 464, 465, 467, 468, 469,
igr2= 575, 576, 577, 579, 580, 581,
&end
#
# 32 SER H 34 ARG H 5.20
&rst
ixpk= 0, nxpk= 0, iat= 473, 498, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70, &end
#
# 32 SER H 35 GLY H 5.01
&rst
ixpk= 0, nxpk= 0, iat= 473, 522, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51, &end
#
# 32 SER H 36 GLU H 4.85
&rst
ixpk= 0, nxpk= 0, iat= 473, 529, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35, &end
#
# 32 SER H 38 LEU QD1 5.35
&rst
ixpk= 0, nxpk= 0, iat= 473, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2= 575, 576, 577, 579, 580, 581,
&end
#
# 32 SER H 38 LEU QD2 4.48
&rst
ixpk= 0, nxpk= 0, iat= 473, -1, r1= 1.30, r2= 1.80, r3= 6.04, r4= 6.54,
igr2= 575, 576, 577, 579, 580, 581,
&end
#
# 32 SER HA 131 THR HA 5.39
&rst
ixpk= 0, nxpk= 0, iat= 475,1964, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89, &end
#
# 32 SER HA 33 PRO HD3 3.58
&rst
ixpk= 0, nxpk= 0, iat= 475, 486, r1= 1.30, r2= 1.80, r3= 3.58, r4= 4.08, &end
#
# 32 SER HA 33 PRO HG2 4.92
&rst
ixpk= 0, nxpk= 0, iat= 475, 488, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42, &end
#
# 32 SER HA 34 ARG H 4.98
&rst
ixpk= 0, nxpk= 0, iat= 475, 498, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48, &end
#
# 32 SER HA 38 LEU QD2 4.28
&rst
ixpk= 0, nxpk= 0, iat= 475, -1, r1= 1.30, r2= 1.80, r3= 5.77, r4= 6.27,
igr2= 575, 576, 577, 579, 580, 581,
&end
#
# 32 SER QB 33 PRO HD2 5.42
&rst
ixpk= 0, nxpk= 0, iat= -1, 485, r1= 1.30, r2= 1.80, r3= 6.08, r4= 6.58,
igr1= 477, 478,
&end
#
# 32 SER QB 34 ARG H 4.91
&rst
ixpk= 0, nxpk= 0, iat= -1, 498, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01,
igr1= 477, 478,
&end
#
# 32 SER QB 34 ARG QG 4.73
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.96, r4= 6.46,
igr1= 477, 478,
igr2= 505, 506,
&end
#
# 32 SER QB 38 LEU QD2 5.15
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.79, r4= 8.29,
igr1= 477, 478,
igr2= 575, 576, 577, 579, 580, 581,
&end
#
# 33 PRO HA 35 GLY H 4.49
&rst
ixpk= 0, nxpk= 0, iat= 494, 522, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99, &end
#
# 33 PRO HD2 131 THR QG2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 485, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1968,1969,1970,
&end
#
# 33 PRO HD2 38 LEU QD2 4.59
&rst
ixpk= 0, nxpk= 0, iat= 485, -1, r1= 1.30, r2= 1.80, r3= 6.19, r4= 6.69,
igr2= 575, 576, 577, 579, 580, 581,
&end
#
# 33 PRO HD3 131 THR QG2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 486, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1968,1969,1970,
&end
#
# 33 PRO HD3 38 LEU QD2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 486, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2= 575, 576, 577, 579, 580, 581,
&end
#
# 33 PRO HG2 131 THR QG2 5.05
&rst
ixpk= 0, nxpk= 0, iat= 488, -1, r1= 1.30, r2= 1.80, r3= 6.06, r4= 6.56,
igr2=1968,1969,1970,
&end
#
# 34 ARG H 34 ARG HB3 3.57
&rst
ixpk= 0, nxpk= 0, iat= 498, 503, r1= 1.30, r2= 1.80, r3= 3.57, r4= 4.07, &end
#
# 34 ARG H 34 ARG QD 4.86
&rst
ixpk= 0, nxpk= 0, iat= 498, -1, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96,
igr2= 508, 509,
&end
#
# 34 ARG H 35 GLY H 3.98
&rst
ixpk= 0, nxpk= 0, iat= 498, 522, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48, &end
#
# 34 ARG H 35 GLY HA2 4.78
&rst
ixpk= 0, nxpk= 0, iat= 498, 524, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28, &end
#
# 34 ARG H 36 GLU H 4.67
&rst
ixpk= 0, nxpk= 0, iat= 498, 529, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17, &end
#
# 34 ARG H 38 LEU QD2 5.00
&rst
ixpk= 0, nxpk= 0, iat= 498, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr2= 575, 576, 577, 579, 580, 581,
&end
#
# 34 ARG HA 34 ARG QD 3.39
&rst
ixpk= 0, nxpk= 0, iat= 500, -1, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31,
igr2= 508, 509,
&end
#
# 34 ARG HA 34 ARG QG 3.04
&rst
ixpk= 0, nxpk= 0, iat= 500, -1, r1= 1.30, r2= 1.80, r3= 3.41, r4= 3.91,
igr2= 505, 506,
&end
#
# 34 ARG HA 36 GLU H 5.08
&rst
ixpk= 0, nxpk= 0, iat= 500, 529, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58, &end
#
# 34 ARG HB2 34 ARG QD 3.15
&rst
ixpk= 0, nxpk= 0, iat= 502, -1, r1= 1.30, r2= 1.80, r3= 3.54, r4= 4.04,
igr2= 508, 509,
&end
#
# 34 ARG HB2 35 GLY H 5.18
&rst
ixpk= 0, nxpk= 0, iat= 502, 522, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68, &end
#
# 34 ARG HB2 36 GLU H 5.02
&rst
ixpk= 0, nxpk= 0, iat= 502, 529, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52, &end
#
# 34 ARG HB3 34 ARG QD 4.02
&rst
ixpk= 0, nxpk= 0, iat= 503, -1, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01,
igr2= 508, 509,
&end
#
# 34 ARG HB3 35 GLY H 4.49
&rst
ixpk= 0, nxpk= 0, iat= 503, 522, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99, &end
#
# 34 ARG HB3 36 GLU H 4.94
&rst
ixpk= 0, nxpk= 0, iat= 503, 529, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44, &end
#
# 34 ARG QD 35 GLY H 4.87
&rst
ixpk= 0, nxpk= 0, iat= -1, 522, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
igr1= 508, 509,
&end
#
# 34 ARG QD 35 GLY HA3 5.30
&rst
ixpk= 0, nxpk= 0, iat= -1, 525, r1= 1.30, r2= 1.80, r3= 5.95, r4= 6.45,
igr1= 508, 509,
&end
#
# 34 ARG QD 36 GLU H 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 529, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 508, 509,
&end
#
# 34 ARG QG 34 ARG QD 2.54
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.20, r4= 3.70,
igr1= 505, 506,
igr2= 508, 509,
&end
#
# 34 ARG QG 35 GLY H 4.37
&rst
ixpk= 0, nxpk= 0, iat= -1, 522, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,
igr1= 505, 506,
&end
#
# 34 ARG QG 36 GLU H 4.62
&rst
ixpk= 0, nxpk= 0, iat= -1, 529, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,
igr1= 505, 506,
&end
#
# 35 GLY H 36 GLU H 4.30
&rst
ixpk= 0, nxpk= 0, iat= 522, 529, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 36 GLU H 36 GLU HG2 4.80
&rst
ixpk= 0, nxpk= 0, iat= 529, 536, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, &end
#
# 36 GLU H 36 GLU HG3 5.12
&rst
ixpk= 0, nxpk= 0, iat= 529, 537, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62, &end
#
# 36 GLU H 38 LEU QD2 5.03
&rst
ixpk= 0, nxpk= 0, iat= 529, -1, r1= 1.30, r2= 1.80, r3= 6.78, r4= 7.28,
igr2= 575, 576, 577, 579, 580, 581,
&end
#
# 36 GLU HG2 37 LYS H 5.32
&rst
ixpk= 0, nxpk= 0, iat= 536, 544, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82, &end
#
# 37 LYS H 37 LYS HD2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 544, 554, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 37 LYS HB3 37 LYS HE2 4.39
&rst
ixpk= 0, nxpk= 0, iat= 549, 557, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89, &end
#
# 37 LYS HB3 37 LYS HE3 4.60
&rst
ixpk= 0, nxpk= 0, iat= 549, 558, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, &end
#
# 37 LYS HD3 55 LEU QD2 4.16
&rst
ixpk= 0, nxpk= 0, iat= 555, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2= 843, 844, 845, 847, 848, 849,
&end
#
# 38 LEU H 38 LEU QD1 4.77
&rst
ixpk= 0, nxpk= 0, iat= 566, -1, r1= 1.30, r2= 1.80, r3= 6.43, r4= 6.93,
igr2= 575, 576, 577, 579, 580, 581,
&end
#
# 38 LEU H 38 LEU QD2 5.21
&rst
ixpk= 0, nxpk= 0, iat= 566, -1, r1= 1.30, r2= 1.80, r3= 7.02, r4= 7.52,
igr2= 575, 576, 577, 579, 580, 581,
&end
#
# 38 LEU HA 38 LEU QD1 4.12
&rst
ixpk= 0, nxpk= 0, iat= 568, -1, r1= 1.30, r2= 1.80, r3= 5.55, r4= 6.05,
igr2= 575, 576, 577, 579, 580, 581,
&end
#
# 38 LEU HA 39 ALA QB 4.93
&rst
ixpk= 0, nxpk= 0, iat= 568, -1, r1= 1.30, r2= 1.80, r3= 5.92, r4= 6.42,
igr2= 589, 590, 591,
&end
#
# 38 LEU HB3 39 ALA H 4.57
&rst
ixpk= 0, nxpk= 0, iat= 571, 585, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07, &end
#
# 38 LEU QD1 131 THR H 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1962, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 575, 576, 577, 579, 580, 581,
&end
#
# 38 LEU QD1 131 THR HB 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1966, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 575, 576, 577, 579, 580, 581,
&end
#
# 38 LEU QD1 132 ALA H 4.64
&rst
ixpk= 0, nxpk= 0, iat= -1,1976, r1= 1.30, r2= 1.80, r3= 6.25, r4= 6.75,
igr1= 575, 576, 577, 579, 580, 581,
&end
#
# 38 LEU QD1 132 ALA HA 3.59
&rst
ixpk= 0, nxpk= 0, iat= -1,1978, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,
igr1= 575, 576, 577, 579, 580, 581,
&end
#
# 38 LEU QD1 132 ALA QB 3.78
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.12, r4= 6.62,
igr1= 575, 576, 577, 579, 580, 581,
igr2=1980,1981,1982,
&end
#
# 38 LEU QD1 133 GLY H 4.26
&rst
ixpk= 0, nxpk= 0, iat= -1,1986, r1= 1.30, r2= 1.80, r3= 5.74, r4= 6.24,
igr1= 575, 576, 577, 579, 580, 581,
&end
#
# 38 LEU QD1 134 GLU H 5.19
&rst
ixpk= 0, nxpk= 0, iat= -1,1993, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,
igr1= 575, 576, 577, 579, 580, 581,
&end
#
# 38 LEU QD1 39 ALA H 4.05
&rst
ixpk= 0, nxpk= 0, iat= -1, 585, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96,
igr1= 575, 576, 577, 579, 580, 581,
&end
#
# 38 LEU QD1 52 VAL HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 795, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 575, 576, 577, 579, 580, 581,
&end
#
# 38 LEU QD1 52 VAL HB 4.86
&rst
ixpk= 0, nxpk= 0, iat= -1, 797, r1= 1.30, r2= 1.80, r3= 6.55, r4= 7.05,
igr1= 575, 576, 577, 579, 580, 581,
&end
#
# 38 LEU QD1 52 VAL QG1 3.84
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.98, r4= 7.48,
igr1= 575, 576, 577, 579, 580, 581,
igr2= 799, 800, 801, 803, 804, 805,
&end
#
# 38 LEU QD1 52 VAL QG2 3.78
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.87, r4= 7.37,
igr1= 575, 576, 577, 579, 580, 581,
igr2= 799, 800, 801, 803, 804, 805,
&end
#
# 38 LEU QD1 53 SER H 5.14
&rst
ixpk= 0, nxpk= 0, iat= -1, 809, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 575, 576, 577, 579, 580, 581,
&end
#
# 38 LEU QD1 53 SER HA 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 811, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1= 575, 576, 577, 579, 580, 581,
&end
#
# 38 LEU QD1 53 SER HB2 5.30
&rst
ixpk= 0, nxpk= 0, iat= -1, 813, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
igr1= 575, 576, 577, 579, 580, 581,
&end
#
# 38 LEU QD1 53 SER HB3 5.20
&rst
ixpk= 0, nxpk= 0, iat= -1, 814, r1= 1.30, r2= 1.80, r3= 7.01, r4= 7.51,
igr1= 575, 576, 577, 579, 580, 581,
&end
#
# 38 LEU QD1 54 PRO HA 4.27
&rst
ixpk= 0, nxpk= 0, iat= -1, 830, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26,
igr1= 575, 576, 577, 579, 580, 581,
&end
#
# 38 LEU QD1 54 PRO HB3 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 828, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 575, 576, 577, 579, 580, 581,
&end
#
# 38 LEU QD1 54 PRO HG2 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 824, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 575, 576, 577, 579, 580, 581,
&end
#
# 38 LEU QD1 55 LEU H 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 834, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 575, 576, 577, 579, 580, 581,
&end
#
# 38 LEU QD2 130 ALA HA 5.37
&rst
ixpk= 0, nxpk= 0, iat= -1,1954, r1= 1.30, r2= 1.80, r3= 7.24, r4= 7.74,
igr1= 575, 576, 577, 579, 580, 581,
&end
#
# 38 LEU QD2 130 ALA QB 4.03
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.52, r4= 7.02,
igr1= 575, 576, 577, 579, 580, 581,
igr2=1956,1957,1958,
&end
#
# 38 LEU QD2 131 THR H 5.04
&rst
ixpk= 0, nxpk= 0, iat= -1,1962, r1= 1.30, r2= 1.80, r3= 6.79, r4= 7.29,
igr1= 575, 576, 577, 579, 580, 581,
&end
#
# 38 LEU QD2 131 THR HA 4.77
&rst
ixpk= 0, nxpk= 0, iat= -1,1964, r1= 1.30, r2= 1.80, r3= 6.43, r4= 6.93,
igr1= 575, 576, 577, 579, 580, 581,
&end
#
# 38 LEU QD2 132 ALA H 5.09
&rst
ixpk= 0, nxpk= 0, iat= -1,1976, r1= 1.30, r2= 1.80, r3= 6.86, r4= 7.36,
igr1= 575, 576, 577, 579, 580, 581,
&end
#
# 39 ALA H 39 ALA QB 3.68
&rst
ixpk= 0, nxpk= 0, iat= 585, -1, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92,
igr2= 589, 590, 591,
&end
#
# 39 ALA H 52 VAL HA 5.30
&rst
ixpk= 0, nxpk= 0, iat= 585, 795, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, &end
#
# 39 ALA HA 148 TRP HZ3 5.50
&rst
ixpk= 0, nxpk= 0, iat= 587,2201, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 39 ALA QB 40 LEU H 3.93
&rst
ixpk= 0, nxpk= 0, iat= -1, 595, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 589, 590, 591,
&end
#
# 39 ALA QB 55 LEU HA 4.47
&rst
ixpk= 0, nxpk= 0, iat= -1, 836, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,
igr1= 589, 590, 591,
&end
#
# 39 ALA QB 55 LEU HB3 3.93
&rst
ixpk= 0, nxpk= 0, iat= -1, 839, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 589, 590, 591,
&end
#
# 39 ALA QB 55 LEU QD1 3.75
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 589, 590, 591,
igr2= 843, 844, 845, 847, 848, 849,
&end
#
# 39 ALA QB 61 GLN H 5.46
&rst
ixpk= 0, nxpk= 0, iat= -1, 909, r1= 1.30, r2= 1.80, r3= 6.56, r4= 7.06,
igr1= 589, 590, 591,
&end
#
# 39 ALA QB 61 GLN HNE1 4.87
&rst
ixpk= 0, nxpk= 0, iat= -1, 922, r1= 1.30, r2= 1.80, r3= 5.85, r4= 6.35,
igr1= 589, 590, 591,
&end
#
# 40 LEU H 40 LEU HG 5.43
&rst
ixpk= 0, nxpk= 0, iat= 595, 602, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93, &end
#
# 40 LEU H 40 LEU QD1 4.52
&rst
ixpk= 0, nxpk= 0, iat= 595, -1, r1= 1.30, r2= 1.80, r3= 6.09, r4= 6.59,
igr2= 604, 605, 606, 608, 609, 610,
&end
#
# 40 LEU H 40 LEU QD2 5.23
&rst
ixpk= 0, nxpk= 0, iat= 595, -1, r1= 1.30, r2= 1.80, r3= 7.05, r4= 7.55,
igr2= 604, 605, 606, 608, 609, 610,
&end
#
# 40 LEU H 52 VAL QG2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 595, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2= 799, 800, 801, 803, 804, 805,
&end
#
# 40 LEU HA 40 LEU QD1 3.78
&rst
ixpk= 0, nxpk= 0, iat= 597, -1, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
igr2= 604, 605, 606, 608, 609, 610,
&end
#
# 40 LEU HA 40 LEU QD2 4.49
&rst
ixpk= 0, nxpk= 0, iat= 597, -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
igr2= 604, 605, 606, 608, 609, 610,
&end
#
# 40 LEU HA 52 VAL HA 4.39
&rst
ixpk= 0, nxpk= 0, iat= 597, 795, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89, &end
#
# 40 LEU HA 52 VAL QG2 4.53
&rst
ixpk= 0, nxpk= 0, iat= 597, -1, r1= 1.30, r2= 1.80, r3= 6.11, r4= 6.61,
igr2= 799, 800, 801, 803, 804, 805,
&end
#
# 40 LEU HA 63 TRP HZ2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 597, 949, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 40 LEU HB2 40 LEU QD1 4.07
&rst
ixpk= 0, nxpk= 0, iat= 599, -1, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99,
igr2= 604, 605, 606, 608, 609, 610,
&end
#
# 40 LEU HB2 40 LEU QD2 3.87
&rst
ixpk= 0, nxpk= 0, iat= 599, -1, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
igr2= 604, 605, 606, 608, 609, 610,
&end
#
# 40 LEU HB2 41 THR H 5.17
&rst
ixpk= 0, nxpk= 0, iat= 599, 614, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67, &end
#
# 40 LEU HB2 50 VAL QG1 5.15
&rst
ixpk= 0, nxpk= 0, iat= 599, -1, r1= 1.30, r2= 1.80, r3= 6.94, r4= 7.44,
igr2= 769, 770, 771, 773, 774, 775,
&end
#
# 40 LEU HB2 63 TRP HE1 4.76
&rst
ixpk= 0, nxpk= 0, iat= 599, 946, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26, &end
#
# 40 LEU HB3 63 TRP HD1 4.13
&rst
ixpk= 0, nxpk= 0, iat= 600, 944, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63, &end
#
# 40 LEU HB3 63 TRP HE1 5.50
&rst
ixpk= 0, nxpk= 0, iat= 600, 946, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 40 LEU HG 41 THR H 4.63
&rst
ixpk= 0, nxpk= 0, iat= 602, 614, r1= 1.30, r2= 1.80, r3= 4.63, r4= 5.13, &end
#
# 40 LEU HG 50 VAL QG1 3.91
&rst
ixpk= 0, nxpk= 0, iat= 602, -1, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77,
igr2= 769, 770, 771, 773, 774, 775,
&end
#
# 40 LEU HG 63 TRP HE1 4.67
&rst
ixpk= 0, nxpk= 0, iat= 602, 946, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17, &end
#
# 40 LEU HG 63 TRP HZ2 4.05
&rst
ixpk= 0, nxpk= 0, iat= 602, 949, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55, &end
#
# 40 LEU QD1 116 ILE QD1 5.41
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.76, r4= 9.26,
igr1= 604, 605, 606, 608, 609, 610,
igr2=1741,1742,1743,
&end
#
# 40 LEU QD1 125 TRP HE3 4.53
&rst
ixpk= 0, nxpk= 0, iat= -1,1889, r1= 1.30, r2= 1.80, r3= 6.11, r4= 6.61,
igr1= 604, 605, 606, 608, 609, 610,
&end
#
# 40 LEU QD1 125 TRP HH2 4.72
&rst
ixpk= 0, nxpk= 0, iat= -1,1885, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 604, 605, 606, 608, 609, 610,
&end
#
# 40 LEU QD1 125 TRP HZ3 3.92
&rst
ixpk= 0, nxpk= 0, iat= -1,1887, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
igr1= 604, 605, 606, 608, 609, 610,
&end
#
# 40 LEU QD1 136 VAL H 5.28
&rst
ixpk= 0, nxpk= 0, iat= -1,2023, r1= 1.30, r2= 1.80, r3= 7.12, r4= 7.62,
igr1= 604, 605, 606, 608, 609, 610,
&end
#
# 40 LEU QD1 136 VAL QG1 3.74
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.80, r4= 7.30,
igr1= 604, 605, 606, 608, 609, 610,
igr2=2029,2030,2031,2033,2034,2035,
&end
#
# 40 LEU QD1 148 TRP HH2 4.58
&rst
ixpk= 0, nxpk= 0, iat= -1,2199, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 604, 605, 606, 608, 609, 610,
&end
#
# 40 LEU QD1 148 TRP HZ2 5.40
&rst
ixpk= 0, nxpk= 0, iat= -1,2197, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
igr1= 604, 605, 606, 608, 609, 610,
&end
#
# 40 LEU QD1 41 THR H 4.09
&rst
ixpk= 0, nxpk= 0, iat= -1, 614, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01,
igr1= 604, 605, 606, 608, 609, 610,
&end
#
# 40 LEU QD1 50 VAL QG1 3.44
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.25, r4= 6.75,
igr1= 604, 605, 606, 608, 609, 610,
igr2= 769, 770, 771, 773, 774, 775,
&end
#
# 40 LEU QD1 51 THR H 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 779, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 604, 605, 606, 608, 609, 610,
&end
#
# 40 LEU QD1 51 THR HA 5.22
&rst
ixpk= 0, nxpk= 0, iat= -1, 781, r1= 1.30, r2= 1.80, r3= 7.04, r4= 7.54,
igr1= 604, 605, 606, 608, 609, 610,
&end
#
# 40 LEU QD1 52 VAL HA 4.64
&rst
ixpk= 0, nxpk= 0, iat= -1, 795, r1= 1.30, r2= 1.80, r3= 6.25, r4= 6.75,
igr1= 604, 605, 606, 608, 609, 610,
&end
#
# 40 LEU QD1 63 TRP HE1 5.46
&rst
ixpk= 0, nxpk= 0, iat= -1, 946, r1= 1.30, r2= 1.80, r3= 7.36, r4= 7.86,
igr1= 604, 605, 606, 608, 609, 610,
&end
#
# 40 LEU QD1 63 TRP HZ2 4.74
&rst
ixpk= 0, nxpk= 0, iat= -1, 949, r1= 1.30, r2= 1.80, r3= 6.39, r4= 6.89,
igr1= 604, 605, 606, 608, 609, 610,
&end
#
# 40 LEU QD2 116 ILE QD1 5.32
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.61, r4= 9.11,
igr1= 604, 605, 606, 608, 609, 610,
igr2=1741,1742,1743,
&end
#
# 40 LEU QD2 116 ILE QG2 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
igr1= 604, 605, 606, 608, 609, 610,
igr2=1734,1735,1736,
&end
#
# 40 LEU QD2 125 TRP HE3 4.23
&rst
ixpk= 0, nxpk= 0, iat= -1,1889, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,
igr1= 604, 605, 606, 608, 609, 610,
&end
#
# 40 LEU QD2 125 TRP HH2 4.12
&rst
ixpk= 0, nxpk= 0, iat= -1,1885, r1= 1.30, r2= 1.80, r3= 5.55, r4= 6.05,
igr1= 604, 605, 606, 608, 609, 610,
&end
#
# 40 LEU QD2 125 TRP HZ2 5.10
&rst
ixpk= 0, nxpk= 0, iat= -1,1883, r1= 1.30, r2= 1.80, r3= 6.87, r4= 7.37,
igr1= 604, 605, 606, 608, 609, 610,
&end
#
# 40 LEU QD2 125 TRP HZ3 3.57
&rst
ixpk= 0, nxpk= 0, iat= -1,1887, r1= 1.30, r2= 1.80, r3= 4.81, r4= 5.31,
igr1= 604, 605, 606, 608, 609, 610,
&end
#
# 40 LEU QD2 136 VAL QG1 4.85
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.81, r4= 9.31,
igr1= 604, 605, 606, 608, 609, 610,
igr2=2029,2030,2031,2033,2034,2035,
&end
#
# 40 LEU QD2 148 TRP HZ3 5.05
&rst
ixpk= 0, nxpk= 0, iat= -1,2201, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 604, 605, 606, 608, 609, 610,
&end
#
# 40 LEU QD2 41 THR H 5.26
&rst
ixpk= 0, nxpk= 0, iat= -1, 614, r1= 1.30, r2= 1.80, r3= 7.09, r4= 7.59,
igr1= 604, 605, 606, 608, 609, 610,
&end
#
# 40 LEU QD2 50 VAL QG1 4.01
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.29, r4= 7.79,
igr1= 604, 605, 606, 608, 609, 610,
igr2= 769, 770, 771, 773, 774, 775,
&end
#
# 40 LEU QD2 51 THR H 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 779, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 604, 605, 606, 608, 609, 610,
&end
#
# 40 LEU QD2 63 TRP HD1 4.58
&rst
ixpk= 0, nxpk= 0, iat= -1, 944, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 604, 605, 606, 608, 609, 610,
&end
#
# 40 LEU QD2 63 TRP HE1 4.94
&rst
ixpk= 0, nxpk= 0, iat= -1, 946, r1= 1.30, r2= 1.80, r3= 6.66, r4= 7.16,
igr1= 604, 605, 606, 608, 609, 610,
&end
#
# 40 LEU QD2 63 TRP HE3 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 955, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 604, 605, 606, 608, 609, 610,
&end
#
# 40 LEU QD2 63 TRP HZ2 4.48
&rst
ixpk= 0, nxpk= 0, iat= -1, 949, r1= 1.30, r2= 1.80, r3= 6.04, r4= 6.54,
igr1= 604, 605, 606, 608, 609, 610,
&end
#
# 40 LEU QD2 87 ILE QD1 4.10
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.64, r4= 7.14,
igr1= 604, 605, 606, 608, 609, 610,
igr2=1315,1316,1317,
&end
#
# 40 LEU QD2 87 ILE QG2 5.27
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.53, r4= 9.03,
igr1= 604, 605, 606, 608, 609, 610,
igr2=1308,1309,1310,
&end
#
# 41 THR H 136 VAL QG1 5.01
&rst
ixpk= 0, nxpk= 0, iat= 614, -1, r1= 1.30, r2= 1.80, r3= 6.75, r4= 7.25,
igr2=2029,2030,2031,2033,2034,2035,
&end
#
# 41 THR H 41 THR HB 4.12
&rst
ixpk= 0, nxpk= 0, iat= 614, 618, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62, &end
#
# 41 THR H 41 THR QG2 4.32
&rst
ixpk= 0, nxpk= 0, iat= 614, -1, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,
igr2= 620, 621, 622,
&end
#
# 41 THR H 50 VAL QG1 4.17
&rst
ixpk= 0, nxpk= 0, iat= 614, -1, r1= 1.30, r2= 1.80, r3= 5.62, r4= 6.12,
igr2= 769, 770, 771, 773, 774, 775,
&end
#
# 41 THR H 51 THR QG2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 614, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 785, 786, 787,
&end
#
# 41 THR H 52 VAL HA 4.87
&rst
ixpk= 0, nxpk= 0, iat= 614, 795, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37, &end
#
# 41 THR H 52 VAL HB 4.87
&rst
ixpk= 0, nxpk= 0, iat= 614, 797, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37, &end
#
# 41 THR H 52 VAL QG2 4.42
&rst
ixpk= 0, nxpk= 0, iat= 614, -1, r1= 1.30, r2= 1.80, r3= 5.96, r4= 6.46,
igr2= 799, 800, 801, 803, 804, 805,
&end
#
# 41 THR H 53 SER H 4.99
&rst
ixpk= 0, nxpk= 0, iat= 614, 809, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49, &end
#
# 41 THR H 63 TRP HZ2 5.39
&rst
ixpk= 0, nxpk= 0, iat= 614, 949, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89, &end
#
# 41 THR HA 41 THR QG2 3.30
&rst
ixpk= 0, nxpk= 0, iat= 616, -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
igr2= 620, 621, 622,
&end
#
# 41 THR HA 61 GLN HA 3.83
&rst
ixpk= 0, nxpk= 0, iat= 616, 911, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33, &end
#
# 41 THR HA 63 TRP HZ2 4.39
&rst
ixpk= 0, nxpk= 0, iat= 616, 949, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89, &end
#
# 41 THR HB 42 TYR H 5.50
&rst
ixpk= 0, nxpk= 0, iat= 618, 628, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 41 THR HB 53 SER H 5.01
&rst
ixpk= 0, nxpk= 0, iat= 618, 809, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51, &end
#
# 41 THR QG2 42 TYR H 4.06
&rst
ixpk= 0, nxpk= 0, iat= -1, 628, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,
igr1= 620, 621, 622,
&end
#
# 41 THR QG2 53 SER H 5.11
&rst
ixpk= 0, nxpk= 0, iat= -1, 809, r1= 1.30, r2= 1.80, r3= 6.14, r4= 6.64,
igr1= 620, 621, 622,
&end
#
# 41 THR QG2 60 GLU H 4.83
&rst
ixpk= 0, nxpk= 0, iat= -1, 894, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
igr1= 620, 621, 622,
&end
#
# 41 THR QG2 60 GLU HA 5.27
&rst
ixpk= 0, nxpk= 0, iat= -1, 896, r1= 1.30, r2= 1.80, r3= 6.33, r4= 6.83,
igr1= 620, 621, 622,
&end
#
# 41 THR QG2 60 GLU HB2 5.49
&rst
ixpk= 0, nxpk= 0, iat= -1, 898, r1= 1.30, r2= 1.80, r3= 6.59, r4= 7.09,
igr1= 620, 621, 622,
&end
#
# 41 THR QG2 60 GLU HB3 4.37
&rst
ixpk= 0, nxpk= 0, iat= -1, 899, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75,
igr1= 620, 621, 622,
&end
#
# 41 THR QG2 60 GLU HG2 4.77
&rst
ixpk= 0, nxpk= 0, iat= -1, 901, r1= 1.30, r2= 1.80, r3= 5.73, r4= 6.23,
igr1= 620, 621, 622,
&end
#
# 41 THR QG2 60 GLU HG3 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 902, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1= 620, 621, 622,
&end
#
# 41 THR QG2 61 GLN H 5.27
&rst
ixpk= 0, nxpk= 0, iat= -1, 909, r1= 1.30, r2= 1.80, r3= 6.33, r4= 6.83,
igr1= 620, 621, 622,
&end
#
# 41 THR QG2 61 GLN HA 3.96
&rst
ixpk= 0, nxpk= 0, iat= -1, 911, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr1= 620, 621, 622,
&end
#
# 41 THR QG2 61 GLN HB3 5.44
&rst
ixpk= 0, nxpk= 0, iat= -1, 914, r1= 1.30, r2= 1.80, r3= 6.53, r4= 7.03,
igr1= 620, 621, 622,
&end
#
# 41 THR QG2 61 GLN HNE1 4.88
&rst
ixpk= 0, nxpk= 0, iat= -1, 922, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36,
igr1= 620, 621, 622,
&end
#
# 41 THR QG2 61 GLN HNE2 4.85
&rst
ixpk= 0, nxpk= 0, iat= -1, 921, r1= 1.30, r2= 1.80, r3= 5.82, r4= 6.32,
igr1= 620, 621, 622,
&end
#
# 42 TYR H 60 GLU H 6.00
&rst
ixpk= 0, nxpk= 0, iat= 628, 894, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 42 TYR H 60 GLU HA 5.11
&rst
ixpk= 0, nxpk= 0, iat= 628, 896, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61, &end
#
# 42 TYR H 60 GLU HG2 5.30
&rst
ixpk= 0, nxpk= 0, iat= 628, 901, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, &end
#
# 42 TYR H 63 TRP HZ2 4.36
&rst
ixpk= 0, nxpk= 0, iat= 628, 949, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86, &end
#
# 42 TYR HA 42 TYR HD 3.85
&rst
ixpk= 0, nxpk= 0, iat= 630, -1, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82,
igr2= 636, 645,
&end
#
# 42 TYR HA 43 PRO HG2 5.43
&rst
ixpk= 0, nxpk= 0, iat= 630, 653, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93, &end
#
# 42 TYR HA 63 TRP HH2 4.47
&rst
ixpk= 0, nxpk= 0, iat= 630, 951, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97, &end
#
# 42 TYR HA 63 TRP HZ2 5.00
&rst
ixpk= 0, nxpk= 0, iat= 630, 949, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 42 TYR HA 97 VAL QG2 5.15
&rst
ixpk= 0, nxpk= 0, iat= 630, -1, r1= 1.30, r2= 1.80, r3= 6.94, r4= 7.44,
igr2=1442,1443,1444,1446,1447,1448,
&end
#
# 42 TYR HB3 60 GLU HA 4.53
&rst
ixpk= 0, nxpk= 0, iat= 633, 896, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03, &end
#
# 42 TYR HD 43 PRO HD2 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 650, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 636, 645,
&end
#
# 42 TYR HD 43 PRO HD3 4.15
&rst
ixpk= 0, nxpk= 0, iat= -1, 651, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,
igr1= 636, 645,
&end
#
# 42 TYR HD 43 PRO HG2 4.96
&rst
ixpk= 0, nxpk= 0, iat= -1, 653, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07,
igr1= 636, 645,
&end
#
# 42 TYR HD 44 GLY HA2 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 665, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 636, 645,
&end
#
# 42 TYR HD 45 ARG H 4.63
&rst
ixpk= 0, nxpk= 0, iat= -1, 670, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,
igr1= 636, 645,
&end
#
# 42 TYR HD 79 PRO HB3 5.45
&rst
ixpk= 0, nxpk= 0, iat= -1,1206, r1= 1.30, r2= 1.80, r3= 6.12, r4= 6.62,
igr1= 636, 645,
&end
#
# 42 TYR HD 79 PRO HG3 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1203, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 636, 645,
&end
#
# 42 TYR HD 97 VAL QG2 3.57
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 636, 645,
igr2=1442,1443,1444,1446,1447,1448,
&end
#
# 42 TYR HE 43 PRO HD2 3.64
&rst
ixpk= 0, nxpk= 0, iat= -1, 650, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59,
igr1= 638, 643,
&end
#
# 42 TYR HE 43 PRO HD3 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 651, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 638, 643,
&end
#
# 42 TYR HE 43 PRO HG2 4.21
&rst
ixpk= 0, nxpk= 0, iat= -1, 653, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,
igr1= 638, 643,
&end
#
# 42 TYR HE 44 GLY HA2 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 665, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 638, 643,
&end
#
# 42 TYR HE 44 GLY HA3 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 666, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 638, 643,
&end
#
# 42 TYR HE 97 VAL HB 4.69
&rst
ixpk= 0, nxpk= 0, iat= -1,1440, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76,
igr1= 638, 643,
&end
#
# 42 TYR HE 97 VAL QG1 3.23
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39,
igr1= 638, 643,
igr2=1442,1443,1444,1446,1447,1448,
&end
#
# 42 TYR HE 97 VAL QG2 3.12
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 638, 643,
igr2=1442,1443,1444,1446,1447,1448,
&end
#
# 43 PRO HA 45 ARG H 5.32
&rst
ixpk= 0, nxpk= 0, iat= 659, 670, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82, &end
#
# 43 PRO HB2 45 ARG H 5.00
&rst
ixpk= 0, nxpk= 0, iat= 656, 670, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 43 PRO HB2 45 ARG QG 5.18
&rst
ixpk= 0, nxpk= 0, iat= 656, -1, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31,
igr2= 677, 678,
&end
#
# 43 PRO HB2 48 THR HB 5.07
&rst
ixpk= 0, nxpk= 0, iat= 656, 739, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57, &end
#
# 43 PRO HB2 48 THR QG2 3.53
&rst
ixpk= 0, nxpk= 0, iat= 656, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr2= 741, 742, 743,
&end
#
# 43 PRO HB3 45 ARG H 5.00
&rst
ixpk= 0, nxpk= 0, iat= 657, 670, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 43 PRO HB3 48 THR HB 4.70
&rst
ixpk= 0, nxpk= 0, iat= 657, 739, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, &end
#
# 43 PRO HD2 50 VAL HA 4.73
&rst
ixpk= 0, nxpk= 0, iat= 650, 765, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23, &end
#
# 43 PRO HD2 97 VAL QG2 5.01
&rst
ixpk= 0, nxpk= 0, iat= 650, -1, r1= 1.30, r2= 1.80, r3= 6.75, r4= 7.25,
igr2=1442,1443,1444,1446,1447,1448,
&end
#
# 43 PRO HD3 45 ARG H 5.38
&rst
ixpk= 0, nxpk= 0, iat= 651, 670, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88, &end
#
# 43 PRO HD3 48 THR QG2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 651, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 741, 742, 743,
&end
#
# 43 PRO HD3 50 VAL HA 5.27
&rst
ixpk= 0, nxpk= 0, iat= 651, 765, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77, &end
#
# 43 PRO HG2 45 ARG H 4.59
&rst
ixpk= 0, nxpk= 0, iat= 653, 670, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09, &end
#
# 43 PRO HG2 48 THR HB 4.31
&rst
ixpk= 0, nxpk= 0, iat= 653, 739, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81, &end
#
# 43 PRO HG2 48 THR QG2 3.46
&rst
ixpk= 0, nxpk= 0, iat= 653, -1, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66,
igr2= 741, 742, 743,
&end
#
# 43 PRO HG2 50 VAL HA 5.19
&rst
ixpk= 0, nxpk= 0, iat= 653, 765, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69, &end
#
# 43 PRO HG3 45 ARG H 3.94
&rst
ixpk= 0, nxpk= 0, iat= 654, 670, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44, &end
#
# 43 PRO HG3 48 THR HB 4.23
&rst
ixpk= 0, nxpk= 0, iat= 654, 739, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73, &end
#
# 43 PRO HG3 48 THR QG2 3.15
&rst
ixpk= 0, nxpk= 0, iat= 654, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr2= 741, 742, 743,
&end
#
# 43 PRO HG3 50 VAL HA 5.34
&rst
ixpk= 0, nxpk= 0, iat= 654, 765, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84, &end
#
# 43 PRO HG3 97 VAL QG2 4.58
&rst
ixpk= 0, nxpk= 0, iat= 654, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1442,1443,1444,1446,1447,1448,
&end
#
# 44 GLY HA2 45 ARG HA 4.62
&rst
ixpk= 0, nxpk= 0, iat= 665, 672, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12, &end
#
# 45 ARG H 45 ARG HB2 4.14
&rst
ixpk= 0, nxpk= 0, iat= 670, 674, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64, &end
#
# 45 ARG H 45 ARG HB3 4.17
&rst
ixpk= 0, nxpk= 0, iat= 670, 675, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67, &end
#
# 45 ARG H 45 ARG QG 3.89
&rst
ixpk= 0, nxpk= 0, iat= 670, -1, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87,
igr2= 677, 678,
&end
#
# 45 ARG H 46 GLN H 4.68
&rst
ixpk= 0, nxpk= 0, iat= 670, 694, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18, &end
#
# 45 ARG H 46 GLN HNE2 4.34
&rst
ixpk= 0, nxpk= 0, iat= 670, 706, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84, &end
#
# 45 ARG H 48 THR HB 5.39
&rst
ixpk= 0, nxpk= 0, iat= 670, 739, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89, &end
#
# 45 ARG H 48 THR QG2 4.21
&rst
ixpk= 0, nxpk= 0, iat= 670, -1, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,
igr2= 741, 742, 743,
&end
#
# 45 ARG HA 45 ARG QD 4.53
&rst
ixpk= 0, nxpk= 0, iat= 672, -1, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,
igr2= 680, 681,
&end
#
# 45 ARG HA 45 ARG QG 3.96
&rst
ixpk= 0, nxpk= 0, iat= 672, -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
igr2= 677, 678,
&end
#
# 45 ARG HA 46 GLN H 3.45
&rst
ixpk= 0, nxpk= 0, iat= 672, 694, r1= 1.30, r2= 1.80, r3= 3.45, r4= 3.95, &end
#
# 45 ARG HA 46 GLN HNE2 3.76
&rst
ixpk= 0, nxpk= 0, iat= 672, 706, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26, &end
#
# 45 ARG HB2 45 ARG QD 3.02
&rst
ixpk= 0, nxpk= 0, iat= 674, -1, r1= 1.30, r2= 1.80, r3= 3.39, r4= 3.89,
igr2= 680, 681,
&end
#
# 45 ARG HB2 46 GLN H 3.93
&rst
ixpk= 0, nxpk= 0, iat= 674, 694, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, &end
#
# 45 ARG HB3 45 ARG QD 2.99
&rst
ixpk= 0, nxpk= 0, iat= 675, -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr2= 680, 681,
&end
#
# 45 ARG HB3 46 GLN H 4.10
&rst
ixpk= 0, nxpk= 0, iat= 675, 694, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60, &end
#
# 45 ARG QD 46 GLN H 4.33
&rst
ixpk= 0, nxpk= 0, iat= -1, 694, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
igr1= 680, 681,
&end
#
# 45 ARG QD 48 THR HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 737, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 680, 681,
&end
#
# 45 ARG QD 48 THR HB 4.18
&rst
ixpk= 0, nxpk= 0, iat= -1, 739, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19,
igr1= 680, 681,
&end
#
# 45 ARG QD 48 THR QG2 3.66
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43,
igr1= 680, 681,
igr2= 741, 742, 743,
&end
#
# 45 ARG QG 45 ARG QD 2.71
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.41, r4= 3.91,
igr1= 677, 678,
igr2= 680, 681,
&end
#
# 45 ARG QG 46 GLN H 4.70
&rst
ixpk= 0, nxpk= 0, iat= -1, 694, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
igr1= 677, 678,
&end
#
# 45 ARG QG 48 THR HB 4.21
&rst
ixpk= 0, nxpk= 0, iat= -1, 739, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,
igr1= 677, 678,
&end
#
# 45 ARG QG 48 THR QG2 3.45
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,
igr1= 677, 678,
igr2= 741, 742, 743,
&end
#
# 46 GLN H 46 GLN HNE2 4.99
&rst
ixpk= 0, nxpk= 0, iat= 694, 706, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49, &end
#
# 46 GLN H 46 GLN HG2 4.32
&rst
ixpk= 0, nxpk= 0, iat= 694, 701, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82, &end
#
# 46 GLN H 46 GLN HG3 4.60
&rst
ixpk= 0, nxpk= 0, iat= 694, 702, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, &end
#
# 46 GLN HA 46 GLN HNE1 5.38
&rst
ixpk= 0, nxpk= 0, iat= 696, 707, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88, &end
#
# 46 GLN HA 46 GLN HNE2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 696, 706, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 46 GLN HA 46 GLN HG2 4.50
&rst
ixpk= 0, nxpk= 0, iat= 696, 701, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 46 GLN HA 97 VAL HB 5.05
&rst
ixpk= 0, nxpk= 0, iat= 696,1440, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, &end
#
# 46 GLN HB2 47 ARG H 4.85
&rst
ixpk= 0, nxpk= 0, iat= 698, 711, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35, &end
#
# 46 GLN HB2 47 ARG QB 5.17
&rst
ixpk= 0, nxpk= 0, iat= 698, -1, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
igr2= 715, 716,
&end
#
# 46 GLN HB3 46 GLN HNE1 4.93
&rst
ixpk= 0, nxpk= 0, iat= 699, 707, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43, &end
#
# 46 GLN HB3 47 ARG H 4.37
&rst
ixpk= 0, nxpk= 0, iat= 699, 711, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87, &end
#
# 46 GLN HNE1 97 VAL QG1 4.72
&rst
ixpk= 0, nxpk= 0, iat= 707, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr2=1442,1443,1444,1446,1447,1448,
&end
#
# 46 GLN HNE2 85 SER HB2 4.99
&rst
ixpk= 0, nxpk= 0, iat= 706,1278, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49, &end
#
# 46 GLN HNE2 85 SER HB3 4.97
&rst
ixpk= 0, nxpk= 0, iat= 706,1279, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47, &end
#
# 46 GLN HNE2 97 VAL QG1 4.10
&rst
ixpk= 0, nxpk= 0, iat= 706, -1, r1= 1.30, r2= 1.80, r3= 5.53, r4= 6.03,
igr2=1442,1443,1444,1446,1447,1448,
&end
#
# 46 GLN HG2 47 ARG H 5.25
&rst
ixpk= 0, nxpk= 0, iat= 701, 711, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75, &end
#
# 46 GLN HG2 97 VAL QG1 4.83
&rst
ixpk= 0, nxpk= 0, iat= 701, -1, r1= 1.30, r2= 1.80, r3= 6.51, r4= 7.01,
igr2=1442,1443,1444,1446,1447,1448,
&end
#
# 46 GLN HG2 97 VAL QG2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 701, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2=1442,1443,1444,1446,1447,1448,
&end
#
# 46 GLN HG3 46 GLN HNE2 4.04
&rst
ixpk= 0, nxpk= 0, iat= 702, 706, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54, &end
#
# 46 GLN HG3 47 ARG H 5.14
&rst
ixpk= 0, nxpk= 0, iat= 702, 711, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64, &end
#
# 46 GLN HG3 97 VAL QG1 4.82
&rst
ixpk= 0, nxpk= 0, iat= 702, -1, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,
igr2=1442,1443,1444,1446,1447,1448,
&end
#
# 47 ARG H 47 ARG HD2 4.74
&rst
ixpk= 0, nxpk= 0, iat= 711, 721, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24, &end
#
# 47 ARG H 47 ARG HD3 4.93
&rst
ixpk= 0, nxpk= 0, iat= 711, 722, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43, &end
#
# 47 ARG H 47 ARG HG3 5.43
&rst
ixpk= 0, nxpk= 0, iat= 711, 719, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93, &end
#
# 47 ARG H 48 THR H 4.82
&rst
ixpk= 0, nxpk= 0, iat= 711, 735, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32, &end
#
# 47 ARG H 96 VAL HB 4.83
&rst
ixpk= 0, nxpk= 0, iat= 711,1424, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33, &end
#
# 47 ARG H 96 VAL QG2 5.11
&rst
ixpk= 0, nxpk= 0, iat= 711, -1, r1= 1.30, r2= 1.80, r3= 6.89, r4= 7.39,
igr2=1426,1427,1428,1430,1431,1432,
&end
#
# 47 ARG H 97 VAL HA 5.40
&rst
ixpk= 0, nxpk= 0, iat= 711,1438, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, &end
#
# 47 ARG H 98 LEU QD2 4.26
&rst
ixpk= 0, nxpk= 0, iat= 711, -1, r1= 1.30, r2= 1.80, r3= 5.74, r4= 6.24,
igr2=1461,1462,1463,1465,1466,1467,
&end
#
# 47 ARG HA 47 ARG HD2 4.08
&rst
ixpk= 0, nxpk= 0, iat= 713, 721, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58, &end
#
# 47 ARG HA 47 ARG HD3 4.03
&rst
ixpk= 0, nxpk= 0, iat= 713, 722, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53, &end
#
# 47 ARG HA 47 ARG HG2 3.75
&rst
ixpk= 0, nxpk= 0, iat= 713, 718, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25, &end
#
# 47 ARG HA 47 ARG HG3 3.73
&rst
ixpk= 0, nxpk= 0, iat= 713, 719, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23, &end
#
# 47 ARG HA 96 VAL HB 4.62
&rst
ixpk= 0, nxpk= 0, iat= 713,1424, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12, &end
#
# 47 ARG HA 96 VAL QG2 4.26
&rst
ixpk= 0, nxpk= 0, iat= 713, -1, r1= 1.30, r2= 1.80, r3= 5.74, r4= 6.24,
igr2=1426,1427,1428,1430,1431,1432,
&end
#
# 47 ARG HA 98 LEU HG 5.28
&rst
ixpk= 0, nxpk= 0, iat= 713,1459, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78, &end
#
# 47 ARG HA 98 LEU QD2 4.41
&rst
ixpk= 0, nxpk= 0, iat= 713, -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr2=1461,1462,1463,1465,1466,1467,
&end
#
# 47 ARG HB2 47 ARG HD2 3.66
&rst
ixpk= 0, nxpk= 0, iat= 715, 721, r1= 1.30, r2= 1.80, r3= 3.66, r4= 4.16, &end
#
# 47 ARG HB3 47 ARG HD2 3.79
&rst
ixpk= 0, nxpk= 0, iat= 716, 721, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29, &end
#
# 47 ARG HB3 48 THR H 4.45
&rst
ixpk= 0, nxpk= 0, iat= 716, 735, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95, &end
#
# 47 ARG HD2 96 VAL QG2 4.89
&rst
ixpk= 0, nxpk= 0, iat= 721, -1, r1= 1.30, r2= 1.80, r3= 6.59, r4= 7.09,
igr2=1426,1427,1428,1430,1431,1432,
&end
#
# 47 ARG HD2 98 LEU QD2 4.25
&rst
ixpk= 0, nxpk= 0, iat= 721, -1, r1= 1.30, r2= 1.80, r3= 5.73, r4= 6.23,
igr2=1461,1462,1463,1465,1466,1467,
&end
#
# 47 ARG HD3 96 VAL QG2 4.94
&rst
ixpk= 0, nxpk= 0, iat= 722, -1, r1= 1.30, r2= 1.80, r3= 6.66, r4= 7.16,
igr2=1426,1427,1428,1430,1431,1432,
&end
#
# 47 ARG HD3 98 LEU QD2 4.33
&rst
ixpk= 0, nxpk= 0, iat= 722, -1, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
igr2=1461,1462,1463,1465,1466,1467,
&end
#
# 47 ARG QB 47 ARG HD2 3.25
&rst
ixpk= 0, nxpk= 0, iat= -1, 721, r1= 1.30, r2= 1.80, r3= 3.65, r4= 4.15,
igr1= 715, 716,
&end
#
# 47 ARG QB 47 ARG HD3 4.06
&rst
ixpk= 0, nxpk= 0, iat= -1, 722, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06,
igr1= 715, 716,
&end
#
# 47 ARG QB 98 LEU QD2 4.49
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.79, r4= 7.29,
igr1= 715, 716,
igr2=1461,1462,1463,1465,1466,1467,
&end
#
# 48 THR H 48 THR HB 4.14
&rst
ixpk= 0, nxpk= 0, iat= 735, 739, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64, &end
#
# 48 THR H 48 THR QG2 4.15
&rst
ixpk= 0, nxpk= 0, iat= 735, -1, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48,
igr2= 741, 742, 743,
&end
#
# 48 THR H 96 VAL HB 5.40
&rst
ixpk= 0, nxpk= 0, iat= 735,1424, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, &end
#
# 48 THR H 96 VAL QG1 4.74
&rst
ixpk= 0, nxpk= 0, iat= 735, -1, r1= 1.30, r2= 1.80, r3= 6.39, r4= 6.89,
igr2=1426,1427,1428,1430,1431,1432,
&end
#
# 48 THR H 97 VAL H 5.50
&rst
ixpk= 0, nxpk= 0, iat= 735,1436, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 48 THR HA 48 THR QG2 3.43
&rst
ixpk= 0, nxpk= 0, iat= 737, -1, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62,
igr2= 741, 742, 743,
&end
#
# 48 THR HA 49 PRO HD2 3.77
&rst
ixpk= 0, nxpk= 0, iat= 737, 750, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27, &end
#
# 48 THR HA 49 PRO HD3 3.37
&rst
ixpk= 0, nxpk= 0, iat= 737, 751, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87, &end
#
# 48 THR HA 49 PRO HG3 4.64
&rst
ixpk= 0, nxpk= 0, iat= 737, 754, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14, &end
#
# 48 THR HA 96 VAL QG1 4.38
&rst
ixpk= 0, nxpk= 0, iat= 737, -1, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,
igr2=1426,1427,1428,1430,1431,1432,
&end
#
# 48 THR HB 49 PRO HD2 4.70
&rst
ixpk= 0, nxpk= 0, iat= 739, 750, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, &end
#
# 48 THR HB 96 VAL QG1 5.50
&rst
ixpk= 0, nxpk= 0, iat= 739, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2=1426,1427,1428,1430,1431,1432,
&end
#
# 48 THR QG2 49 PRO HD2 3.61
&rst
ixpk= 0, nxpk= 0, iat= -1, 750, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84,
igr1= 741, 742, 743,
&end
#
# 48 THR QG2 49 PRO HD3 4.58
&rst
ixpk= 0, nxpk= 0, iat= -1, 751, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
igr1= 741, 742, 743,
&end
#
# 49 PRO HA 50 VAL HB 5.01
&rst
ixpk= 0, nxpk= 0, iat= 759, 767, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51, &end
#
# 49 PRO HA 94 VAL HB 5.20
&rst
ixpk= 0, nxpk= 0, iat= 759,1394, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70, &end
#
# 49 PRO HA 94 VAL QG1 3.79
&rst
ixpk= 0, nxpk= 0, iat= 759, -1, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61,
igr2=1396,1397,1398,1400,1401,1402,
&end
#
# 49 PRO HA 95 PRO HG2 5.40
&rst
ixpk= 0, nxpk= 0, iat= 759,1410, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, &end
#
# 49 PRO HA 96 VAL HA 3.87
&rst
ixpk= 0, nxpk= 0, iat= 759,1422, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37, &end
#
# 49 PRO HA 96 VAL HB 4.72
&rst
ixpk= 0, nxpk= 0, iat= 759,1424, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, &end
#
# 49 PRO HA 96 VAL QG1 3.62
&rst
ixpk= 0, nxpk= 0, iat= 759, -1, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,
igr2=1426,1427,1428,1430,1431,1432,
&end
#
# 49 PRO HB2 94 VAL QG1 4.50
&rst
ixpk= 0, nxpk= 0, iat= 756, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2=1396,1397,1398,1400,1401,1402,
&end
#
# 49 PRO HB2 96 VAL QG1 4.49
&rst
ixpk= 0, nxpk= 0, iat= 756, -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
igr2=1426,1427,1428,1430,1431,1432,
&end
#
# 49 PRO HB3 94 VAL QG1 3.44
&rst
ixpk= 0, nxpk= 0, iat= 757, -1, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,
igr2=1396,1397,1398,1400,1401,1402,
&end
#
# 49 PRO HD2 96 VAL QG1 5.39
&rst
ixpk= 0, nxpk= 0, iat= 750, -1, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
igr2=1426,1427,1428,1430,1431,1432,
&end
#
# 49 PRO HD3 50 VAL H 5.50
&rst
ixpk= 0, nxpk= 0, iat= 751, 763, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 49 PRO HD3 94 VAL QG1 4.60
&rst
ixpk= 0, nxpk= 0, iat= 751, -1, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70,
igr2=1396,1397,1398,1400,1401,1402,
&end
#
# 49 PRO HD3 96 VAL QG1 5.50
&rst
ixpk= 0, nxpk= 0, iat= 751, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2=1426,1427,1428,1430,1431,1432,
&end
#
# 49 PRO HG2 96 VAL QG1 4.34
&rst
ixpk= 0, nxpk= 0, iat= 753, -1, r1= 1.30, r2= 1.80, r3= 5.85, r4= 6.35,
igr2=1426,1427,1428,1430,1431,1432,
&end
#
# 49 PRO HG3 50 VAL H 5.50
&rst
ixpk= 0, nxpk= 0, iat= 754, 763, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 50 VAL H 50 VAL HB 4.09
&rst
ixpk= 0, nxpk= 0, iat= 763, 767, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59, &end
#
# 50 VAL H 50 VAL QG2 4.11
&rst
ixpk= 0, nxpk= 0, iat= 763, -1, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,
igr2= 769, 770, 771, 773, 774, 775,
&end
#
# 50 VAL H 51 THR H 5.50
&rst
ixpk= 0, nxpk= 0, iat= 763, 779, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 50 VAL H 94 VAL QG1 4.26
&rst
ixpk= 0, nxpk= 0, iat= 763, -1, r1= 1.30, r2= 1.80, r3= 5.74, r4= 6.24,
igr2=1396,1397,1398,1400,1401,1402,
&end
#
# 50 VAL H 96 VAL HA 4.02
&rst
ixpk= 0, nxpk= 0, iat= 763,1422, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52, &end
#
# 50 VAL H 96 VAL QG1 4.41
&rst
ixpk= 0, nxpk= 0, iat= 763, -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr2=1426,1427,1428,1430,1431,1432,
&end
#
# 50 VAL HA 50 VAL QG2 4.15
&rst
ixpk= 0, nxpk= 0, iat= 765, -1, r1= 1.30, r2= 1.80, r3= 5.59, r4= 6.09,
igr2= 769, 770, 771, 773, 774, 775,
&end
#
# 50 VAL HA 51 THR H 3.37
&rst
ixpk= 0, nxpk= 0, iat= 765, 779, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87, &end
#
# 50 VAL HB 136 VAL H 5.39
&rst
ixpk= 0, nxpk= 0, iat= 767,2023, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89, &end
#
# 50 VAL HB 136 VAL QG1 5.28
&rst
ixpk= 0, nxpk= 0, iat= 767, -1, r1= 1.30, r2= 1.80, r3= 7.12, r4= 7.62,
igr2=2029,2030,2031,2033,2034,2035,
&end
#
# 50 VAL HB 51 THR H 4.48
&rst
ixpk= 0, nxpk= 0, iat= 767, 779, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98, &end
#
# 50 VAL HB 95 PRO HB2 5.39
&rst
ixpk= 0, nxpk= 0, iat= 767,1413, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89, &end
#
# 50 VAL HB 95 PRO HG2 5.25
&rst
ixpk= 0, nxpk= 0, iat= 767,1410, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75, &end
#
# 50 VAL HB 95 PRO HG3 5.18
&rst
ixpk= 0, nxpk= 0, iat= 767,1411, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68, &end
#
# 50 VAL QG1 51 THR H 3.63
&rst
ixpk= 0, nxpk= 0, iat= -1, 779, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39,
igr1= 769, 770, 771, 773, 774, 775,
&end
#
# 50 VAL QG1 51 THR HA 4.02
&rst
ixpk= 0, nxpk= 0, iat= -1, 781, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,
igr1= 769, 770, 771, 773, 774, 775,
&end
#
# 50 VAL QG1 63 TRP HE1 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 946, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 769, 770, 771, 773, 774, 775,
&end
#
# 50 VAL QG1 63 TRP HH2 4.48
&rst
ixpk= 0, nxpk= 0, iat= -1, 951, r1= 1.30, r2= 1.80, r3= 6.04, r4= 6.54,
igr1= 769, 770, 771, 773, 774, 775,
&end
#
# 50 VAL QG1 63 TRP HZ2 4.02
&rst
ixpk= 0, nxpk= 0, iat= -1, 949, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,
igr1= 769, 770, 771, 773, 774, 775,
&end
#
# 50 VAL QG2 63 TRP HH2 4.25
&rst
ixpk= 0, nxpk= 0, iat= -1, 951, r1= 1.30, r2= 1.80, r3= 5.73, r4= 6.23,
igr1= 769, 770, 771, 773, 774, 775,
&end
#
# 50 VAL QG2 96 VAL HA 4.48
&rst
ixpk= 0, nxpk= 0, iat= -1,1422, r1= 1.30, r2= 1.80, r3= 6.04, r4= 6.54,
igr1= 769, 770, 771, 773, 774, 775,
&end
#
# 51 THR H 135 GLU HG2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 779,2015, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 51 THR H 136 VAL QG1 5.30
&rst
ixpk= 0, nxpk= 0, iat= 779, -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
igr2=2029,2030,2031,2033,2034,2035,
&end
#
# 51 THR H 51 THR QG2 4.00
&rst
ixpk= 0, nxpk= 0, iat= 779, -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr2= 785, 786, 787,
&end
#
# 51 THR H 52 VAL H 5.23
&rst
ixpk= 0, nxpk= 0, iat= 779, 793, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73, &end
#
# 51 THR HA 135 GLU HA 4.34
&rst
ixpk= 0, nxpk= 0, iat= 781,2010, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84, &end
#
# 51 THR HA 135 GLU HB3 5.17
&rst
ixpk= 0, nxpk= 0, iat= 781,2013, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67, &end
#
# 51 THR HA 135 GLU HG2 5.00
&rst
ixpk= 0, nxpk= 0, iat= 781,2015, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 51 THR HA 135 GLU HG3 4.49
&rst
ixpk= 0, nxpk= 0, iat= 781,2016, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99, &end
#
# 51 THR HA 136 VAL H 4.60
&rst
ixpk= 0, nxpk= 0, iat= 781,2023, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, &end
#
# 51 THR HA 136 VAL QG1 4.34
&rst
ixpk= 0, nxpk= 0, iat= 781, -1, r1= 1.30, r2= 1.80, r3= 5.85, r4= 6.35,
igr2=2029,2030,2031,2033,2034,2035,
&end
#
# 51 THR HA 51 THR QG2 3.45
&rst
ixpk= 0, nxpk= 0, iat= 781, -1, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64,
igr2= 785, 786, 787,
&end
#
# 51 THR HA 52 VAL QG1 4.59
&rst
ixpk= 0, nxpk= 0, iat= 781, -1, r1= 1.30, r2= 1.80, r3= 6.19, r4= 6.69,
igr2= 799, 800, 801, 803, 804, 805,
&end
#
# 51 THR HB 135 GLU HA 5.06
&rst
ixpk= 0, nxpk= 0, iat= 783,2010, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56, &end
#
# 51 THR HB 52 VAL H 4.10
&rst
ixpk= 0, nxpk= 0, iat= 783, 793, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60, &end
#
# 51 THR HB 52 VAL HA 4.84
&rst
ixpk= 0, nxpk= 0, iat= 783, 795, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34, &end
#
# 51 THR QG2 133 GLY H 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1986, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 785, 786, 787,
&end
#
# 51 THR QG2 133 GLY HA2 5.41
&rst
ixpk= 0, nxpk= 0, iat= -1,1988, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,
igr1= 785, 786, 787,
&end
#
# 51 THR QG2 134 GLU H 4.57
&rst
ixpk= 0, nxpk= 0, iat= -1,1993, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99,
igr1= 785, 786, 787,
&end
#
# 51 THR QG2 134 GLU HA 4.85
&rst
ixpk= 0, nxpk= 0, iat= -1,1995, r1= 1.30, r2= 1.80, r3= 5.82, r4= 6.32,
igr1= 785, 786, 787,
&end
#
# 51 THR QG2 135 GLU H 4.35
&rst
ixpk= 0, nxpk= 0, iat= -1,2008, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
igr1= 785, 786, 787,
&end
#
# 51 THR QG2 135 GLU HA 3.41
&rst
ixpk= 0, nxpk= 0, iat= -1,2010, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,
igr1= 785, 786, 787,
&end
#
# 51 THR QG2 135 GLU HG2 3.79
&rst
ixpk= 0, nxpk= 0, iat= -1,2015, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05,
igr1= 785, 786, 787,
&end
#
# 51 THR QG2 135 GLU HG3 3.59
&rst
ixpk= 0, nxpk= 0, iat= -1,2016, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81,
igr1= 785, 786, 787,
&end
#
# 51 THR QG2 136 VAL H 4.00
&rst
ixpk= 0, nxpk= 0, iat= -1,2023, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr1= 785, 786, 787,
&end
#
# 51 THR QG2 52 VAL H 3.57
&rst
ixpk= 0, nxpk= 0, iat= -1, 793, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79,
igr1= 785, 786, 787,
&end
#
# 51 THR QG2 52 VAL HA 4.56
&rst
ixpk= 0, nxpk= 0, iat= -1, 795, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98,
igr1= 785, 786, 787,
&end
#
# 51 THR QG2 53 SER H 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 809, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 785, 786, 787,
&end
#
# 52 VAL H 134 GLU H 4.94
&rst
ixpk= 0, nxpk= 0, iat= 793,1993, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44, &end
#
# 52 VAL H 135 GLU HA 4.73
&rst
ixpk= 0, nxpk= 0, iat= 793,2010, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23, &end
#
# 52 VAL H 136 VAL H 5.50
&rst
ixpk= 0, nxpk= 0, iat= 793,2023, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 52 VAL H 136 VAL QG1 4.87
&rst
ixpk= 0, nxpk= 0, iat= 793, -1, r1= 1.30, r2= 1.80, r3= 6.56, r4= 7.06,
igr2=2029,2030,2031,2033,2034,2035,
&end
#
# 52 VAL H 52 VAL QG1 3.88
&rst
ixpk= 0, nxpk= 0, iat= 793, -1, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73,
igr2= 799, 800, 801, 803, 804, 805,
&end
#
# 52 VAL H 52 VAL QG2 4.40
&rst
ixpk= 0, nxpk= 0, iat= 793, -1, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43,
igr2= 799, 800, 801, 803, 804, 805,
&end
#
# 52 VAL HA 52 VAL QG2 3.98
&rst
ixpk= 0, nxpk= 0, iat= 795, -1, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,
igr2= 799, 800, 801, 803, 804, 805,
&end
#
# 52 VAL HB 136 VAL QG1 4.43
&rst
ixpk= 0, nxpk= 0, iat= 797, -1, r1= 1.30, r2= 1.80, r3= 5.97, r4= 6.47,
igr2=2029,2030,2031,2033,2034,2035,
&end
#
# 52 VAL HB 53 SER H 4.19
&rst
ixpk= 0, nxpk= 0, iat= 797, 809, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69, &end
#
# 52 VAL QG1 132 ALA HA 3.79
&rst
ixpk= 0, nxpk= 0, iat= -1,1978, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61,
igr1= 799, 800, 801, 803, 804, 805,
&end
#
# 52 VAL QG1 132 ALA QB 4.27
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.91, r4= 7.41,
igr1= 799, 800, 801, 803, 804, 805,
igr2=1980,1981,1982,
&end
#
# 52 VAL QG1 133 GLY H 5.36
&rst
ixpk= 0, nxpk= 0, iat= -1,1986, r1= 1.30, r2= 1.80, r3= 7.23, r4= 7.73,
igr1= 799, 800, 801, 803, 804, 805,
&end
#
# 52 VAL QG1 134 GLU H 4.23
&rst
ixpk= 0, nxpk= 0, iat= -1,1993, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,
igr1= 799, 800, 801, 803, 804, 805,
&end
#
# 52 VAL QG1 134 GLU HA 4.20
&rst
ixpk= 0, nxpk= 0, iat= -1,1995, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
igr1= 799, 800, 801, 803, 804, 805,
&end
#
# 52 VAL QG1 134 GLU HB2 4.28
&rst
ixpk= 0, nxpk= 0, iat= -1,1997, r1= 1.30, r2= 1.80, r3= 5.77, r4= 6.27,
igr1= 799, 800, 801, 803, 804, 805,
&end
#
# 52 VAL QG1 148 TRP HH2 5.39
&rst
ixpk= 0, nxpk= 0, iat= -1,2199, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
igr1= 799, 800, 801, 803, 804, 805,
&end
#
# 52 VAL QG1 53 SER H 5.11
&rst
ixpk= 0, nxpk= 0, iat= -1, 809, r1= 1.30, r2= 1.80, r3= 6.89, r4= 7.39,
igr1= 799, 800, 801, 803, 804, 805,
&end
#
# 52 VAL QG2 148 TRP HH2 3.90
&rst
ixpk= 0, nxpk= 0, iat= -1,2199, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76,
igr1= 799, 800, 801, 803, 804, 805,
&end
#
# 52 VAL QG2 148 TRP HZ3 3.83
&rst
ixpk= 0, nxpk= 0, iat= -1,2201, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
igr1= 799, 800, 801, 803, 804, 805,
&end
#
# 52 VAL QG2 53 SER H 4.28
&rst
ixpk= 0, nxpk= 0, iat= -1, 809, r1= 1.30, r2= 1.80, r3= 5.77, r4= 6.27,
igr1= 799, 800, 801, 803, 804, 805,
&end
#
# 53 SER HA 132 ALA QB 4.00
&rst
ixpk= 0, nxpk= 0, iat= 811, -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr2=1980,1981,1982,
&end
#
# 53 SER HA 54 PRO HG3 5.31
&rst
ixpk= 0, nxpk= 0, iat= 811, 825, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81, &end
#
# 53 SER HB3 54 PRO HD3 4.64
&rst
ixpk= 0, nxpk= 0, iat= 814, 822, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14, &end
#
# 54 PRO HA 55 LEU H 3.50
&rst
ixpk= 0, nxpk= 0, iat= 830, 834, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 54 PRO HD2 132 ALA QB 4.50
&rst
ixpk= 0, nxpk= 0, iat= 821, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2=1980,1981,1982,
&end
#
# 54 PRO HD3 132 ALA QB 4.50
&rst
ixpk= 0, nxpk= 0, iat= 822, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2=1980,1981,1982,
&end
#
# 55 LEU H 55 LEU HB2 4.07
&rst
ixpk= 0, nxpk= 0, iat= 834, 838, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57, &end
#
# 55 LEU H 55 LEU HG 4.57
&rst
ixpk= 0, nxpk= 0, iat= 834, 841, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07, &end
#
# 55 LEU H 55 LEU QD1 3.96
&rst
ixpk= 0, nxpk= 0, iat= 834, -1, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
igr2= 843, 844, 845, 847, 848, 849,
&end
#
# 55 LEU H 56 ASP H 5.28
&rst
ixpk= 0, nxpk= 0, iat= 834, 853, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78, &end
#
# 55 LEU HA 55 LEU HG 3.71
&rst
ixpk= 0, nxpk= 0, iat= 836, 841, r1= 1.30, r2= 1.80, r3= 3.71, r4= 4.21, &end
#
# 55 LEU HA 55 LEU QD1 3.53
&rst
ixpk= 0, nxpk= 0, iat= 836, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr2= 843, 844, 845, 847, 848, 849,
&end
#
# 55 LEU HA 55 LEU QD2 4.10
&rst
ixpk= 0, nxpk= 0, iat= 836, -1, r1= 1.30, r2= 1.80, r3= 5.53, r4= 6.03,
igr2= 843, 844, 845, 847, 848, 849,
&end
#
# 55 LEU HA 57 GLY H 4.14
&rst
ixpk= 0, nxpk= 0, iat= 836, 865, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64, &end
#
# 55 LEU HA 61 GLN HNE1 4.50
&rst
ixpk= 0, nxpk= 0, iat= 836, 922, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 55 LEU HA 61 GLN HNE2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 836, 921, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 55 LEU HB2 55 LEU QD1 3.59
&rst
ixpk= 0, nxpk= 0, iat= 838, -1, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,
igr2= 843, 844, 845, 847, 848, 849,
&end
#
# 55 LEU HB2 55 LEU QD2 3.20
&rst
ixpk= 0, nxpk= 0, iat= 838, -1, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81,
igr2= 843, 844, 845, 847, 848, 849,
&end
#
# 55 LEU HB2 56 ASP H 5.20
&rst
ixpk= 0, nxpk= 0, iat= 838, 853, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70, &end
#
# 55 LEU HB3 55 LEU QD1 3.03
&rst
ixpk= 0, nxpk= 0, iat= 839, -1, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58,
igr2= 843, 844, 845, 847, 848, 849,
&end
#
# 55 LEU HB3 55 LEU QD2 3.06
&rst
ixpk= 0, nxpk= 0, iat= 839, -1, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62,
igr2= 843, 844, 845, 847, 848, 849,
&end
#
# 55 LEU HB3 56 ASP H 4.84
&rst
ixpk= 0, nxpk= 0, iat= 839, 853, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34, &end
#
# 55 LEU HG 56 ASP H 4.08
&rst
ixpk= 0, nxpk= 0, iat= 841, 853, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58, &end
#
# 55 LEU HG 57 GLY H 4.25
&rst
ixpk= 0, nxpk= 0, iat= 841, 865, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75, &end
#
# 55 LEU HG 58 SER H 5.36
&rst
ixpk= 0, nxpk= 0, iat= 841, 872, r1= 1.30, r2= 1.80, r3= 5.36, r4= 5.86, &end
#
# 55 LEU QD1 56 ASP H 3.73
&rst
ixpk= 0, nxpk= 0, iat= -1, 853, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,
igr1= 843, 844, 845, 847, 848, 849,
&end
#
# 55 LEU QD1 57 GLY H 4.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 865, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1= 843, 844, 845, 847, 848, 849,
&end
#
# 55 LEU QD1 57 GLY HA2 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 867, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 843, 844, 845, 847, 848, 849,
&end
#
# 55 LEU QD1 57 GLY HA3 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 868, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 843, 844, 845, 847, 848, 849,
&end
#
# 55 LEU QD1 58 SER H 5.27
&rst
ixpk= 0, nxpk= 0, iat= -1, 872, r1= 1.30, r2= 1.80, r3= 7.10, r4= 7.60,
igr1= 843, 844, 845, 847, 848, 849,
&end
#
# 55 LEU QD1 61 GLN H 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 909, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 843, 844, 845, 847, 848, 849,
&end
#
# 55 LEU QD1 61 GLN HNE1 4.72
&rst
ixpk= 0, nxpk= 0, iat= -1, 922, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 843, 844, 845, 847, 848, 849,
&end
#
# 55 LEU QD1 61 GLN HNE2 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 921, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 843, 844, 845, 847, 848, 849,
&end
#
# 55 LEU QD2 56 ASP H 4.16
&rst
ixpk= 0, nxpk= 0, iat= -1, 853, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 843, 844, 845, 847, 848, 849,
&end
#
# 56 ASP H 57 GLY H 3.66
&rst
ixpk= 0, nxpk= 0, iat= 853, 865, r1= 1.30, r2= 1.80, r3= 3.66, r4= 4.16, &end
#
# 56 ASP H 57 GLY HA2 5.00
&rst
ixpk= 0, nxpk= 0, iat= 853, 867, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 56 ASP H 57 GLY HA3 5.00
&rst
ixpk= 0, nxpk= 0, iat= 853, 868, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 56 ASP H 58 SER H 4.38
&rst
ixpk= 0, nxpk= 0, iat= 853, 872, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88, &end
#
# 56 ASP H 61 GLN HNE1 4.74
&rst
ixpk= 0, nxpk= 0, iat= 853, 922, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24, &end
#
# 56 ASP HA 56 ASP HB2 2.93
&rst
ixpk= 0, nxpk= 0, iat= 855, 857, r1= 1.30, r2= 1.80, r3= 2.93, r4= 3.43, &end
#
# 56 ASP HB2 57 GLY H 4.68
&rst
ixpk= 0, nxpk= 0, iat= 857, 865, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18, &end
#
# 56 ASP HB2 58 SER H 4.61
&rst
ixpk= 0, nxpk= 0, iat= 857, 872, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11, &end
#
# 56 ASP HB3 57 GLY H 4.54
&rst
ixpk= 0, nxpk= 0, iat= 858, 865, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04, &end
#
# 57 GLY H 58 SER H 3.65
&rst
ixpk= 0, nxpk= 0, iat= 865, 872, r1= 1.30, r2= 1.80, r3= 3.65, r4= 4.15, &end
#
# 57 GLY H 61 GLN HNE1 5.17
&rst
ixpk= 0, nxpk= 0, iat= 865, 922, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67, &end
#
# 58 SER H 58 SER HB2 3.45
&rst
ixpk= 0, nxpk= 0, iat= 872, 876, r1= 1.30, r2= 1.80, r3= 3.45, r4= 3.95, &end
#
# 58 SER H 58 SER HB3 3.80
&rst
ixpk= 0, nxpk= 0, iat= 872, 877, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end
#
# 58 SER H 59 SER H 4.60
&rst
ixpk= 0, nxpk= 0, iat= 872, 883, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, &end
#
# 58 SER H 60 GLU H 4.92
&rst
ixpk= 0, nxpk= 0, iat= 872, 894, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42, &end
#
# 58 SER H 61 GLN H 5.29
&rst
ixpk= 0, nxpk= 0, iat= 872, 909, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79, &end
#
# 58 SER HA 58 SER HB3 2.91
&rst
ixpk= 0, nxpk= 0, iat= 874, 877, r1= 1.30, r2= 1.80, r3= 2.91, r4= 3.41, &end
#
# 58 SER HA 59 SER H 3.37
&rst
ixpk= 0, nxpk= 0, iat= 874, 883, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87, &end
#
# 58 SER HA 60 GLU H 4.88
&rst
ixpk= 0, nxpk= 0, iat= 874, 894, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38, &end
#
# 58 SER HB2 60 GLU H 5.30
&rst
ixpk= 0, nxpk= 0, iat= 876, 894, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, &end
#
# 58 SER HB3 59 SER H 3.97
&rst
ixpk= 0, nxpk= 0, iat= 877, 883, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47, &end
#
# 58 SER HB3 60 GLU H 5.31
&rst
ixpk= 0, nxpk= 0, iat= 877, 894, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81, &end
#
# 59 SER H 59 SER QB 3.54
&rst
ixpk= 0, nxpk= 0, iat= 883, -1, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47,
igr2= 887, 888,
&end
#
# 59 SER H 60 GLU H 4.12
&rst
ixpk= 0, nxpk= 0, iat= 883, 894, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62, &end
#
# 59 SER H 60 GLU HB2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 883, 898, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 59 SER H 60 GLU HG3 5.47
&rst
ixpk= 0, nxpk= 0, iat= 883, 902, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97, &end
#
# 59 SER H 61 GLN H 5.50
&rst
ixpk= 0, nxpk= 0, iat= 883, 909, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 59 SER HA 59 SER QB 2.67
&rst
ixpk= 0, nxpk= 0, iat= 885, -1, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,
igr2= 887, 888,
&end
#
# 59 SER HA 61 GLN H 5.31
&rst
ixpk= 0, nxpk= 0, iat= 885, 909, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81, &end
#
# 59 SER HA 62 ALA H 4.49
&rst
ixpk= 0, nxpk= 0, iat= 885, 926, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99, &end
#
# 59 SER HA 62 ALA QB 3.39
&rst
ixpk= 0, nxpk= 0, iat= 885, -1, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57,
igr2= 930, 931, 932,
&end
#
# 59 SER HA 80 VAL QG1 4.21
&rst
ixpk= 0, nxpk= 0, iat= 885, -1, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18,
igr2=1218,1219,1220,1222,1223,1224,
&end
#
# 59 SER HA 80 VAL QG2 4.34
&rst
ixpk= 0, nxpk= 0, iat= 885, -1, r1= 1.30, r2= 1.80, r3= 5.85, r4= 6.35,
igr2=1218,1219,1220,1222,1223,1224,
&end
#
# 59 SER QB 60 GLU H 4.13
&rst
ixpk= 0, nxpk= 0, iat= -1, 894, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,
igr1= 887, 888,
&end
#
# 59 SER QB 61 GLN H 5.20
&rst
ixpk= 0, nxpk= 0, iat= -1, 909, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
igr1= 887, 888,
&end
#
# 59 SER QB 62 ALA H 4.58
&rst
ixpk= 0, nxpk= 0, iat= -1, 926, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
igr1= 887, 888,
&end
#
# 59 SER QB 62 ALA QB 4.30
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
igr1= 887, 888,
igr2= 930, 931, 932,
&end
#
# 59 SER QB 80 VAL HB 4.98
&rst
ixpk= 0, nxpk= 0, iat= -1,1216, r1= 1.30, r2= 1.80, r3= 5.59, r4= 6.09,
igr1= 887, 888,
&end
#
# 59 SER QB 80 VAL QG1 3.62
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98,
igr1= 887, 888,
igr2=1218,1219,1220,1222,1223,1224,
&end
#
# 59 SER QB 80 VAL QG2 3.67
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.55, r4= 6.05,
igr1= 887, 888,
igr2=1218,1219,1220,1222,1223,1224,
&end
#
# 60 GLU H 60 GLU HB2 3.82
&rst
ixpk= 0, nxpk= 0, iat= 894, 898, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32, &end
#
# 60 GLU H 60 GLU HB3 3.55
&rst
ixpk= 0, nxpk= 0, iat= 894, 899, r1= 1.30, r2= 1.80, r3= 3.55, r4= 4.05, &end
#
# 60 GLU H 60 GLU HG2 4.08
&rst
ixpk= 0, nxpk= 0, iat= 894, 901, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58, &end
#
# 60 GLU H 60 GLU HG3 4.71
&rst
ixpk= 0, nxpk= 0, iat= 894, 902, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21, &end
#
# 60 GLU H 61 GLN H 3.96
&rst
ixpk= 0, nxpk= 0, iat= 894, 909, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46, &end
#
# 60 GLU H 62 ALA H 4.98
&rst
ixpk= 0, nxpk= 0, iat= 894, 926, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48, &end
#
# 60 GLU H 62 ALA QB 5.36
&rst
ixpk= 0, nxpk= 0, iat= 894, -1, r1= 1.30, r2= 1.80, r3= 6.44, r4= 6.94,
igr2= 930, 931, 932,
&end
#
# 60 GLU HA 60 GLU HG2 4.19
&rst
ixpk= 0, nxpk= 0, iat= 896, 901, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69, &end
#
# 60 GLU HA 60 GLU HG3 3.58
&rst
ixpk= 0, nxpk= 0, iat= 896, 902, r1= 1.30, r2= 1.80, r3= 3.58, r4= 4.08, &end
#
# 60 GLU HB2 61 GLN H 4.75
&rst
ixpk= 0, nxpk= 0, iat= 898, 909, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25, &end
#
# 60 GLU HG3 61 GLN HNE1 5.50
&rst
ixpk= 0, nxpk= 0, iat= 902, 922, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 61 GLN H 61 GLN HB2 4.05
&rst
ixpk= 0, nxpk= 0, iat= 909, 913, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55, &end
#
# 61 GLN H 61 GLN HB3 4.17
&rst
ixpk= 0, nxpk= 0, iat= 909, 914, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67, &end
#
# 61 GLN H 61 GLN HNE1 5.48
&rst
ixpk= 0, nxpk= 0, iat= 909, 922, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98, &end
#
# 61 GLN H 61 GLN HNE2 5.28
&rst
ixpk= 0, nxpk= 0, iat= 909, 921, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78, &end
#
# 61 GLN H 62 ALA H 3.90
&rst
ixpk= 0, nxpk= 0, iat= 909, 926, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40, &end
#
# 61 GLN H 62 ALA QB 4.55
&rst
ixpk= 0, nxpk= 0, iat= 909, -1, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96,
igr2= 930, 931, 932,
&end
#
# 61 GLN HA 61 GLN HG3 3.94
&rst
ixpk= 0, nxpk= 0, iat= 911, 917, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44, &end
#
# 61 GLN HA 63 TRP HD1 4.58
&rst
ixpk= 0, nxpk= 0, iat= 911, 944, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08, &end
#
# 61 GLN HA 63 TRP HE1 5.15
&rst
ixpk= 0, nxpk= 0, iat= 911, 946, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65, &end
#
# 61 GLN HB2 61 GLN HNE2 5.09
&rst
ixpk= 0, nxpk= 0, iat= 913, 921, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59, &end
#
# 61 GLN HB2 62 ALA H 4.82
&rst
ixpk= 0, nxpk= 0, iat= 913, 926, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32, &end
#
# 61 GLN HB3 62 ALA H 5.01
&rst
ixpk= 0, nxpk= 0, iat= 914, 926, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51, &end
#
# 62 ALA H 62 ALA QB 3.34
&rst
ixpk= 0, nxpk= 0, iat= 926, -1, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51,
igr2= 930, 931, 932,
&end
#
# 62 ALA H 63 TRP H 4.72
&rst
ixpk= 0, nxpk= 0, iat= 926, 936, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, &end
#
# 62 ALA HA 153 VAL QG1 4.10
&rst
ixpk= 0, nxpk= 0, iat= 928, -1, r1= 1.30, r2= 1.80, r3= 5.53, r4= 6.03,
igr2=2286,2287,2288,2290,2291,2292,
&end
#
# 62 ALA HA 153 VAL QG2 3.74
&rst
ixpk= 0, nxpk= 0, iat= 928, -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr2=2286,2287,2288,2290,2291,2292,
&end
#
# 62 ALA HA 63 TRP HB3 5.32
&rst
ixpk= 0, nxpk= 0, iat= 928, 941, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82, &end
#
# 62 ALA HA 63 TRP HD1 5.50
&rst
ixpk= 0, nxpk= 0, iat= 928, 944, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 62 ALA QB 153 VAL QG2 2.97
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.81, r4= 5.31,
igr1= 930, 931, 932,
igr2=2286,2287,2288,2290,2291,2292,
&end
#
# 62 ALA QB 63 TRP H 3.67
&rst
ixpk= 0, nxpk= 0, iat= -1, 936, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 930, 931, 932,
&end
#
# 62 ALA QB 80 VAL HB 4.09
&rst
ixpk= 0, nxpk= 0, iat= -1,1216, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,
igr1= 930, 931, 932,
&end
#
# 62 ALA QB 80 VAL QG2 3.18
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,
igr1= 930, 931, 932,
igr2=1218,1219,1220,1222,1223,1224,
&end
#
# 63 TRP H 153 VAL QG1 4.47
&rst
ixpk= 0, nxpk= 0, iat= 936, -1, r1= 1.30, r2= 1.80, r3= 6.03, r4= 6.53,
igr2=2286,2287,2288,2290,2291,2292,
&end
#
# 63 TRP H 153 VAL QG2 4.05
&rst
ixpk= 0, nxpk= 0, iat= 936, -1, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96,
igr2=2286,2287,2288,2290,2291,2292,
&end
#
# 63 TRP H 63 TRP HD1 4.58
&rst
ixpk= 0, nxpk= 0, iat= 936, 944, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08, &end
#
# 63 TRP H 80 VAL QG2 5.16
&rst
ixpk= 0, nxpk= 0, iat= 936, -1, r1= 1.30, r2= 1.80, r3= 6.96, r4= 7.46,
igr2=1218,1219,1220,1222,1223,1224,
&end
#
# 63 TRP HA 63 TRP HE3 5.33
&rst
ixpk= 0, nxpk= 0, iat= 938, 955, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83, &end
#
# 63 TRP HA 80 VAL HA 4.92
&rst
ixpk= 0, nxpk= 0, iat= 938,1214, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42, &end
#
# 63 TRP HA 80 VAL QG2 5.19
&rst
ixpk= 0, nxpk= 0, iat= 938, -1, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,
igr2=1218,1219,1220,1222,1223,1224,
&end
#
# 63 TRP HB2 64 ILE H 5.19
&rst
ixpk= 0, nxpk= 0, iat= 940, 960, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69, &end
#
# 63 TRP HB2 77 ILE QG2 4.19
&rst
ixpk= 0, nxpk= 0, iat= 940, -1, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,
igr2=1174,1175,1176,
&end
#
# 63 TRP HB2 80 VAL H 5.50
&rst
ixpk= 0, nxpk= 0, iat= 940,1212, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 63 TRP HB3 77 ILE QG2 4.40
&rst
ixpk= 0, nxpk= 0, iat= 941, -1, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
igr2=1174,1175,1176,
&end
#
# 63 TRP HD1 153 VAL QG2 5.31
&rst
ixpk= 0, nxpk= 0, iat= 944, -1, r1= 1.30, r2= 1.80, r3= 7.16, r4= 7.66,
igr2=2286,2287,2288,2290,2291,2292,
&end
#
# 63 TRP HE3 77 ILE QG2 4.09
&rst
ixpk= 0, nxpk= 0, iat= 955, -1, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,
igr2=1174,1175,1176,
&end
#
# 63 TRP HE3 78 SER H 5.22
&rst
ixpk= 0, nxpk= 0, iat= 955,1187, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72, &end
#
# 63 TRP HE3 78 SER HB3 5.50
&rst
ixpk= 0, nxpk= 0, iat= 955,1192, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 63 TRP HE3 79 PRO HA 4.29
&rst
ixpk= 0, nxpk= 0, iat= 955,1208, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79, &end
#
# 63 TRP HE3 79 PRO HB3 4.64
&rst
ixpk= 0, nxpk= 0, iat= 955,1206, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14, &end
#
# 63 TRP HE3 79 PRO HD3 4.63
&rst
ixpk= 0, nxpk= 0, iat= 955,1200, r1= 1.30, r2= 1.80, r3= 4.63, r4= 5.13, &end
#
# 63 TRP HE3 87 ILE QD1 4.31
&rst
ixpk= 0, nxpk= 0, iat= 955, -1, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68,
igr2=1315,1316,1317,
&end
#
# 63 TRP HH2 87 ILE QD1 4.01
&rst
ixpk= 0, nxpk= 0, iat= 951, -1, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32,
igr2=1315,1316,1317,
&end
#
# 63 TRP HZ3 78 SER HA 4.84
&rst
ixpk= 0, nxpk= 0, iat= 953,1189, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34, &end
#
# 63 TRP HZ3 79 PRO HA 4.58
&rst
ixpk= 0, nxpk= 0, iat= 953,1208, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08, &end
#
# 63 TRP HZ3 79 PRO HB2 4.70
&rst
ixpk= 0, nxpk= 0, iat= 953,1205, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, &end
#
# 63 TRP HZ3 79 PRO HD2 4.66
&rst
ixpk= 0, nxpk= 0, iat= 953,1199, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16, &end
#
# 63 TRP HZ3 79 PRO HD3 5.27
&rst
ixpk= 0, nxpk= 0, iat= 953,1200, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77, &end
#
# 63 TRP HZ3 87 ILE QD1 4.72
&rst
ixpk= 0, nxpk= 0, iat= 953, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr2=1315,1316,1317,
&end
#
# 63 TRP HZ3 97 VAL QG1 5.50
&rst
ixpk= 0, nxpk= 0, iat= 953, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2=1442,1443,1444,1446,1447,1448,
&end
#
# 63 TRP HZ3 97 VAL QG2 5.02
&rst
ixpk= 0, nxpk= 0, iat= 953, -1, r1= 1.30, r2= 1.80, r3= 6.77, r4= 7.27,
igr2=1442,1443,1444,1446,1447,1448,
&end
#
# 64 ILE H 64 ILE HG12 5.20
&rst
ixpk= 0, nxpk= 0, iat= 960, 970, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70, &end
#
# 64 ILE H 64 ILE HG13 5.50
&rst
ixpk= 0, nxpk= 0, iat= 960, 971, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 64 ILE H 64 ILE QD1 4.25
&rst
ixpk= 0, nxpk= 0, iat= 960, -1, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
igr2= 973, 974, 975,
&end
#
# 64 ILE H 64 ILE QG2 4.09
&rst
ixpk= 0, nxpk= 0, iat= 960, -1, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,
igr2= 966, 967, 968,
&end
#
# 64 ILE H 77 ILE QD1 5.50
&rst
ixpk= 0, nxpk= 0, iat= 960, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1181,1182,1183,
&end
#
# 64 ILE H 77 ILE QG2 4.80
&rst
ixpk= 0, nxpk= 0, iat= 960, -1, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26,
igr2=1174,1175,1176,
&end
#
# 64 ILE H 78 SER H 4.66
&rst
ixpk= 0, nxpk= 0, iat= 960,1187, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16, &end
#
# 64 ILE H 78 SER HB3 5.14
&rst
ixpk= 0, nxpk= 0, iat= 960,1192, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64, &end
#
# 64 ILE H 79 PRO HA 5.18
&rst
ixpk= 0, nxpk= 0, iat= 960,1208, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68, &end
#
# 64 ILE H 80 VAL H 5.37
&rst
ixpk= 0, nxpk= 0, iat= 960,1212, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87, &end
#
# 64 ILE H 80 VAL QG2 4.50
&rst
ixpk= 0, nxpk= 0, iat= 960, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2=1218,1219,1220,1222,1223,1224,
&end
#
# 64 ILE HA 64 ILE HG12 3.79
&rst
ixpk= 0, nxpk= 0, iat= 962, 970, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29, &end
#
# 64 ILE HA 64 ILE HG13 3.21
&rst
ixpk= 0, nxpk= 0, iat= 962, 971, r1= 1.30, r2= 1.80, r3= 3.21, r4= 3.71, &end
#
# 64 ILE HA 64 ILE QD1 3.91
&rst
ixpk= 0, nxpk= 0, iat= 962, -1, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,
igr2= 973, 974, 975,
&end
#
# 64 ILE HA 64 ILE QG2 3.31
&rst
ixpk= 0, nxpk= 0, iat= 962, -1, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48,
igr2= 966, 967, 968,
&end
#
# 64 ILE HA 65 LEU HB2 4.86
&rst
ixpk= 0, nxpk= 0, iat= 962, 983, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36, &end
#
# 64 ILE HA 65 LEU HB3 5.18
&rst
ixpk= 0, nxpk= 0, iat= 962, 984, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68, &end
#
# 64 ILE HA 78 SER H 4.84
&rst
ixpk= 0, nxpk= 0, iat= 962,1187, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34, &end
#
# 64 ILE HB 64 ILE QD1 3.60
&rst
ixpk= 0, nxpk= 0, iat= 964, -1, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82,
igr2= 973, 974, 975,
&end
#
# 64 ILE HB 78 SER H 4.55
&rst
ixpk= 0, nxpk= 0, iat= 964,1187, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05, &end
#
# 64 ILE HB 78 SER HB2 5.14
&rst
ixpk= 0, nxpk= 0, iat= 964,1191, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64, &end
#
# 64 ILE HB 78 SER HB3 4.97
&rst
ixpk= 0, nxpk= 0, iat= 964,1192, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47, &end
#
# 64 ILE HG13 80 VAL HA 5.44
&rst
ixpk= 0, nxpk= 0, iat= 971,1214, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94, &end
#
# 64 ILE HG13 80 VAL QG2 4.27
&rst
ixpk= 0, nxpk= 0, iat= 971, -1, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26,
igr2=1218,1219,1220,1222,1223,1224,
&end
#
# 64 ILE QD1 78 SER H 4.75
&rst
ixpk= 0, nxpk= 0, iat= -1,1187, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,
igr1= 973, 974, 975,
&end
#
# 64 ILE QD1 78 SER HB2 4.21
&rst
ixpk= 0, nxpk= 0, iat= -1,1191, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,
igr1= 973, 974, 975,
&end
#
# 64 ILE QD1 80 VAL H 4.94
&rst
ixpk= 0, nxpk= 0, iat= -1,1212, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43,
igr1= 973, 974, 975,
&end
#
# 64 ILE QD1 80 VAL HA 3.48
&rst
ixpk= 0, nxpk= 0, iat= -1,1214, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68,
igr1= 973, 974, 975,
&end
#
# 64 ILE QD1 81 GLY H 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1228, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 973, 974, 975,
&end
#
# 64 ILE QD1 83 PRO HA 3.55
&rst
ixpk= 0, nxpk= 0, iat= -1,1256, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76,
igr1= 973, 974, 975,
&end
#
# 64 ILE QD1 83 PRO HB2 3.60
&rst
ixpk= 0, nxpk= 0, iat= -1,1253, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82,
igr1= 973, 974, 975,
&end
#
# 64 ILE QD1 83 PRO HB3 3.57
&rst
ixpk= 0, nxpk= 0, iat= -1,1254, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79,
igr1= 973, 974, 975,
&end
#
# 64 ILE QD1 83 PRO HD2 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1247, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 973, 974, 975,
&end
#
# 64 ILE QD1 83 PRO HD3 5.14
&rst
ixpk= 0, nxpk= 0, iat= -1,1248, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 973, 974, 975,
&end
#
# 64 ILE QD1 83 PRO HG2 4.56
&rst
ixpk= 0, nxpk= 0, iat= -1,1250, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98,
igr1= 973, 974, 975,
&end
#
# 64 ILE QD1 83 PRO HG3 4.84
&rst
ixpk= 0, nxpk= 0, iat= -1,1251, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31,
igr1= 973, 974, 975,
&end
#
# 64 ILE QD1 84 ASN H 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1260, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 973, 974, 975,
&end
#
# 64 ILE QG2 64 ILE HG12 3.74
&rst
ixpk= 0, nxpk= 0, iat= -1, 970, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1= 966, 967, 968,
&end
#
# 64 ILE QG2 64 ILE HG13 3.96
&rst
ixpk= 0, nxpk= 0, iat= -1, 971, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr1= 966, 967, 968,
&end
#
# 64 ILE QG2 65 LEU H 3.72
&rst
ixpk= 0, nxpk= 0, iat= -1, 979, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97,
igr1= 966, 967, 968,
&end
#
# 64 ILE QG2 65 LEU HA 5.05
&rst
ixpk= 0, nxpk= 0, iat= -1, 981, r1= 1.30, r2= 1.80, r3= 6.06, r4= 6.56,
igr1= 966, 967, 968,
&end
#
# 64 ILE QG2 66 ARG H 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 998, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 966, 967, 968,
&end
#
# 64 ILE QG2 66 ARG HD2 4.73
&rst
ixpk= 0, nxpk= 0, iat= -1,1008, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18,
igr1= 966, 967, 968,
&end
#
# 64 ILE QG2 66 ARG QG 3.28
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92,
igr1= 966, 967, 968,
igr2=1005,1006,
&end
#
# 64 ILE QG2 78 SER H 4.58
&rst
ixpk= 0, nxpk= 0, iat= -1,1187, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
igr1= 966, 967, 968,
&end
#
# 64 ILE QG2 78 SER HB2 5.09
&rst
ixpk= 0, nxpk= 0, iat= -1,1191, r1= 1.30, r2= 1.80, r3= 6.11, r4= 6.61,
igr1= 966, 967, 968,
&end
#
# 64 ILE QG2 78 SER HB3 4.17
&rst
ixpk= 0, nxpk= 0, iat= -1,1192, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51,
igr1= 966, 967, 968,
&end
#
# 65 LEU H 65 LEU HG 4.48
&rst
ixpk= 0, nxpk= 0, iat= 979, 986, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98, &end
#
# 65 LEU H 65 LEU QD1 4.41
&rst
ixpk= 0, nxpk= 0, iat= 979, -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr2= 988, 989, 990, 992, 993, 994,
&end
#
# 65 LEU HA 65 LEU HG 4.19
&rst
ixpk= 0, nxpk= 0, iat= 981, 986, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69, &end
#
# 65 LEU HA 65 LEU QD1 3.93
&rst
ixpk= 0, nxpk= 0, iat= 981, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr2= 988, 989, 990, 992, 993, 994,
&end
#
# 65 LEU HA 65 LEU QD2 3.84
&rst
ixpk= 0, nxpk= 0, iat= 981, -1, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68,
igr2= 988, 989, 990, 992, 993, 994,
&end
#
# 65 LEU HA 66 ARG HA 4.57
&rst
ixpk= 0, nxpk= 0, iat= 981,1000, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07, &end
#
# 65 LEU HA 66 ARG QG 5.33
&rst
ixpk= 0, nxpk= 0, iat= 981, -1, r1= 1.30, r2= 1.80, r3= 5.98, r4= 6.48,
igr2=1005,1006,
&end
#
# 65 LEU HA 76 THR H 4.71
&rst
ixpk= 0, nxpk= 0, iat= 981,1154, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21, &end
#
# 65 LEU HA 77 ILE HA 4.00
&rst
ixpk= 0, nxpk= 0, iat= 981,1170, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 65 LEU HA 77 ILE QD1 4.44
&rst
ixpk= 0, nxpk= 0, iat= 981, -1, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83,
igr2=1181,1182,1183,
&end
#
# 65 LEU HA 77 ILE QG2 5.13
&rst
ixpk= 0, nxpk= 0, iat= 981, -1, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66,
igr2=1174,1175,1176,
&end
#
# 65 LEU HA 78 SER H 5.35
&rst
ixpk= 0, nxpk= 0, iat= 981,1187, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85, &end
#
# 65 LEU HB2 65 LEU QD1 3.66
&rst
ixpk= 0, nxpk= 0, iat= 983, -1, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43,
igr2= 988, 989, 990, 992, 993, 994,
&end
#
# 65 LEU HB2 65 LEU QD2 3.71
&rst
ixpk= 0, nxpk= 0, iat= 983, -1, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
igr2= 988, 989, 990, 992, 993, 994,
&end
#
# 65 LEU HB2 66 ARG H 5.27
&rst
ixpk= 0, nxpk= 0, iat= 983, 998, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77, &end
#
# 65 LEU HB3 65 LEU QD1 3.59
&rst
ixpk= 0, nxpk= 0, iat= 984, -1, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,
igr2= 988, 989, 990, 992, 993, 994,
&end
#
# 65 LEU HB3 65 LEU QD2 3.51
&rst
ixpk= 0, nxpk= 0, iat= 984, -1, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,
igr2= 988, 989, 990, 992, 993, 994,
&end
#
# 65 LEU HB3 75 TRP HE3 5.28
&rst
ixpk= 0, nxpk= 0, iat= 984,1149, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78, &end
#
# 65 LEU HG 107 LEU QD1 4.85
&rst
ixpk= 0, nxpk= 0, iat= 986, -1, r1= 1.30, r2= 1.80, r3= 6.54, r4= 7.04,
igr2=1611,1612,1613,1615,1616,1617,
&end
#
# 65 LEU HG 66 ARG H 4.66
&rst
ixpk= 0, nxpk= 0, iat= 986, 998, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16, &end
#
# 65 LEU HG 75 TRP HE3 4.61
&rst
ixpk= 0, nxpk= 0, iat= 986,1149, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11, &end
#
# 65 LEU QD1 107 LEU QD1 3.41
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70,
igr1= 988, 989, 990, 992, 993, 994,
igr2=1611,1612,1613,1615,1616,1617,
&end
#
# 65 LEU QD1 150 ILE QD1 4.31
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.98, r4= 7.48,
igr1= 988, 989, 990, 992, 993, 994,
igr2=2237,2238,2239,
&end
#
# 65 LEU QD1 75 TRP HZ3 5.03
&rst
ixpk= 0, nxpk= 0, iat= -1,1147, r1= 1.30, r2= 1.80, r3= 6.78, r4= 7.28,
igr1= 988, 989, 990, 992, 993, 994,
&end
#
# 65 LEU QD2 107 LEU QD1 3.28
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.96, r4= 6.46,
igr1= 988, 989, 990, 992, 993, 994,
igr2=1611,1612,1613,1615,1616,1617,
&end
#
# 65 LEU QD2 150 ILE QD1 4.33
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.01, r4= 7.51,
igr1= 988, 989, 990, 992, 993, 994,
igr2=2237,2238,2239,
&end
#
# 65 LEU QD2 66 ARG H 4.14
&rst
ixpk= 0, nxpk= 0, iat= -1, 998, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08,
igr1= 988, 989, 990, 992, 993, 994,
&end
#
# 65 LEU QD2 66 ARG HA 4.53
&rst
ixpk= 0, nxpk= 0, iat= -1,1000, r1= 1.30, r2= 1.80, r3= 6.11, r4= 6.61,
igr1= 988, 989, 990, 992, 993, 994,
&end
#
# 65 LEU QD2 75 TRP HE3 4.25
&rst
ixpk= 0, nxpk= 0, iat= -1,1149, r1= 1.30, r2= 1.80, r3= 5.73, r4= 6.23,
igr1= 988, 989, 990, 992, 993, 994,
&end
#
# 65 LEU QD2 75 TRP HZ3 5.15
&rst
ixpk= 0, nxpk= 0, iat= -1,1147, r1= 1.30, r2= 1.80, r3= 6.94, r4= 7.44,
igr1= 988, 989, 990, 992, 993, 994,
&end
#
# 65 LEU QD2 76 THR H 4.22
&rst
ixpk= 0, nxpk= 0, iat= -1,1154, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
igr1= 988, 989, 990, 992, 993, 994,
&end
#
# 65 LEU QD2 77 ILE HA 4.17
&rst
ixpk= 0, nxpk= 0, iat= -1,1170, r1= 1.30, r2= 1.80, r3= 5.62, r4= 6.12,
igr1= 988, 989, 990, 992, 993, 994,
&end
#
# 66 ARG H 107 LEU QD1 5.50
&rst
ixpk= 0, nxpk= 0, iat= 998, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2=1611,1612,1613,1615,1616,1617,
&end
#
# 66 ARG H 66 ARG QG 4.51
&rst
ixpk= 0, nxpk= 0, iat= 998, -1, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,
igr2=1005,1006,
&end
#
# 66 ARG H 75 TRP HE3 4.17
&rst
ixpk= 0, nxpk= 0, iat= 998,1149, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67, &end
#
# 66 ARG H 76 THR H 4.09
&rst
ixpk= 0, nxpk= 0, iat= 998,1154, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59, &end
#
# 66 ARG H 76 THR HA 5.26
&rst
ixpk= 0, nxpk= 0, iat= 998,1156, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76, &end
#
# 66 ARG HA 66 ARG HD3 4.50
&rst
ixpk= 0, nxpk= 0, iat=1000,1009, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 66 ARG HA 66 ARG HG2 3.10
&rst
ixpk= 0, nxpk= 0, iat=1000,1005, r1= 1.30, r2= 1.80, r3= 3.10, r4= 3.60, &end
#
# 66 ARG HA 66 ARG QD 5.00
&rst
ixpk= 0, nxpk= 0, iat=1000, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2=1008,1009,
&end
#
# 66 ARG HA 66 ARG QG 3.66
&rst
ixpk= 0, nxpk= 0, iat=1000, -1, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,
igr2=1005,1006,
&end
#
# 66 ARG HA 67 SER H 3.48
&rst
ixpk= 0, nxpk= 0, iat=1000,1022, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98, &end
#
# 66 ARG HA 67 SER HB3 4.95
&rst
ixpk= 0, nxpk= 0, iat=1000,1027, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45, &end
#
# 66 ARG HA 75 TRP HE3 4.69
&rst
ixpk= 0, nxpk= 0, iat=1000,1149, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19, &end
#
# 66 ARG HA 75 TRP HZ3 4.60
&rst
ixpk= 0, nxpk= 0, iat=1000,1147, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, &end
#
# 66 ARG HB3 66 ARG HD3 3.32
&rst
ixpk= 0, nxpk= 0, iat=1003,1009, r1= 1.30, r2= 1.80, r3= 3.32, r4= 3.82, &end
#
# 66 ARG QD 67 SER H 5.49
&rst
ixpk= 0, nxpk= 0, iat= -1,1022, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66,
igr1=1008,1009,
&end
#
# 66 ARG QG 76 THR HB 5.44
&rst
ixpk= 0, nxpk= 0, iat= -1,1158, r1= 1.30, r2= 1.80, r3= 6.11, r4= 6.61,
igr1=1005,1006,
&end
#
# 67 SER H 67 SER HB2 3.91
&rst
ixpk= 0, nxpk= 0, iat=1022,1026, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41, &end
#
# 67 SER H 67 SER HB3 3.72
&rst
ixpk= 0, nxpk= 0, iat=1022,1027, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22, &end
#
# 67 SER H 75 TRP HE3 4.80
&rst
ixpk= 0, nxpk= 0, iat=1022,1149, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, &end
#
# 67 SER H 75 TRP HH2 5.14
&rst
ixpk= 0, nxpk= 0, iat=1022,1145, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64, &end
#
# 67 SER H 75 TRP HZ3 4.62
&rst
ixpk= 0, nxpk= 0, iat=1022,1147, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12, &end
#
# 67 SER H 76 THR H 5.07
&rst
ixpk= 0, nxpk= 0, iat=1022,1154, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57, &end
#
# 67 SER HA 69 ASP H 4.58
&rst
ixpk= 0, nxpk= 0, iat=1024,1054, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08, &end
#
# 67 SER HA 75 TRP HA 3.71
&rst
ixpk= 0, nxpk= 0, iat=1024,1132, r1= 1.30, r2= 1.80, r3= 3.71, r4= 4.21, &end
#
# 67 SER HA 75 TRP HB3 5.00
&rst
ixpk= 0, nxpk= 0, iat=1024,1135, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 67 SER HA 75 TRP HE3 5.25
&rst
ixpk= 0, nxpk= 0, iat=1024,1149, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75, &end
#
# 67 SER HA 75 TRP HH2 4.79
&rst
ixpk= 0, nxpk= 0, iat=1024,1145, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29, &end
#
# 67 SER HA 75 TRP HZ3 4.25
&rst
ixpk= 0, nxpk= 0, iat=1024,1147, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75, &end
#
# 67 SER HA 76 THR H 4.34
&rst
ixpk= 0, nxpk= 0, iat=1024,1154, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84, &end
#
# 67 SER HB2 75 TRP HA 5.16
&rst
ixpk= 0, nxpk= 0, iat=1026,1132, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66, &end
#
# 67 SER HB2 75 TRP HE3 3.92
&rst
ixpk= 0, nxpk= 0, iat=1026,1149, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42, &end
#
# 67 SER HB2 75 TRP HH2 4.68
&rst
ixpk= 0, nxpk= 0, iat=1026,1145, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18, &end
#
# 67 SER HB2 75 TRP HZ3 4.52
&rst
ixpk= 0, nxpk= 0, iat=1026,1147, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02, &end
#
# 67 SER HB3 68 TYR H 5.37
&rst
ixpk= 0, nxpk= 0, iat=1027,1033, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87, &end
#
# 67 SER HB3 75 TRP HZ3 4.40
&rst
ixpk= 0, nxpk= 0, iat=1027,1147, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90, &end
#
# 68 TYR H 104 VAL HB 5.50
&rst
ixpk= 0, nxpk= 0, iat=1033,1552, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 68 TYR H 104 VAL QG2 5.50
&rst
ixpk= 0, nxpk= 0, iat=1033, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2=1554,1555,1556,1558,1559,1560,
&end
#
# 68 TYR H 68 TYR HD 4.95
&rst
ixpk= 0, nxpk= 0, iat=1033, -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
igr2=1041,1050,
&end
#
# 68 TYR H 69 ASP H 4.07
&rst
ixpk= 0, nxpk= 0, iat=1033,1054, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57, &end
#
# 68 TYR H 69 ASP HA 5.35
&rst
ixpk= 0, nxpk= 0, iat=1033,1056, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85, &end
#
# 68 TYR H 75 TRP HA 4.42
&rst
ixpk= 0, nxpk= 0, iat=1033,1132, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92, &end
#
# 68 TYR H 76 THR H 4.67
&rst
ixpk= 0, nxpk= 0, iat=1033,1154, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17, &end
#
# 68 TYR H 76 THR QG2 5.05
&rst
ixpk= 0, nxpk= 0, iat=1033, -1, r1= 1.30, r2= 1.80, r3= 6.06, r4= 6.56,
igr2=1160,1161,1162,
&end
#
# 68 TYR HA 104 VAL QG2 5.20
&rst
ixpk= 0, nxpk= 0, iat=1035, -1, r1= 1.30, r2= 1.80, r3= 7.01, r4= 7.51,
igr2=1554,1555,1556,1558,1559,1560,
&end
#
# 68 TYR HA 68 TYR HD 3.23
&rst
ixpk= 0, nxpk= 0, iat=1035, -1, r1= 1.30, r2= 1.80, r3= 3.63, r4= 4.13,
igr2=1041,1050,
&end
#
# 68 TYR HA 68 TYR HE 4.96
&rst
ixpk= 0, nxpk= 0, iat=1035, -1, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07,
igr2=1043,1048,
&end
#
# 68 TYR HA 75 TRP HA 4.71
&rst
ixpk= 0, nxpk= 0, iat=1035,1132, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21, &end
#
# 68 TYR HA 76 THR QG2 5.38
&rst
ixpk= 0, nxpk= 0, iat=1035, -1, r1= 1.30, r2= 1.80, r3= 6.46, r4= 6.96,
igr2=1160,1161,1162,
&end
#
# 68 TYR HB2 104 VAL QG2 4.46
&rst
ixpk= 0, nxpk= 0, iat=1037, -1, r1= 1.30, r2= 1.80, r3= 6.01, r4= 6.51,
igr2=1554,1555,1556,1558,1559,1560,
&end
#
# 68 TYR HB2 75 TRP HA 4.79
&rst
ixpk= 0, nxpk= 0, iat=1037,1132, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29, &end
#
# 68 TYR HB2 76 THR QG2 4.24
&rst
ixpk= 0, nxpk= 0, iat=1037, -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
igr2=1160,1161,1162,
&end
#
# 68 TYR HB3 104 VAL HB 5.25
&rst
ixpk= 0, nxpk= 0, iat=1038,1552, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75, &end
#
# 68 TYR HB3 104 VAL QG2 4.05
&rst
ixpk= 0, nxpk= 0, iat=1038, -1, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96,
igr2=1554,1555,1556,1558,1559,1560,
&end
#
# 68 TYR HB3 69 ASP H 3.76
&rst
ixpk= 0, nxpk= 0, iat=1038,1054, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26, &end
#
# 68 TYR HB3 76 THR QG2 4.00
&rst
ixpk= 0, nxpk= 0, iat=1038, -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr2=1160,1161,1162,
&end
#
# 68 TYR HD 104 VAL QG1 4.79
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.25, r4= 7.75,
igr1=1041,1050,
igr2=1554,1555,1556,1558,1559,1560,
&end
#
# 68 TYR HD 104 VAL QG2 3.37
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
igr1=1041,1050,
igr2=1554,1555,1556,1558,1559,1560,
&end
#
# 68 TYR HD 69 ASP H 4.24
&rst
ixpk= 0, nxpk= 0, iat= -1,1054, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr1=1041,1050,
&end
#
# 68 TYR HD 69 ASP HB2 3.91
&rst
ixpk= 0, nxpk= 0, iat= -1,1058, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89,
igr1=1041,1050,
&end
#
# 68 TYR HD 69 ASP HB3 4.08
&rst
ixpk= 0, nxpk= 0, iat= -1,1059, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
igr1=1041,1050,
&end
#
# 68 TYR HD 72 SER QB 4.57
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26,
igr1=1041,1050,
igr2=1095,1096,
&end
#
# 68 TYR HD 74 THR H 4.61
&rst
ixpk= 0, nxpk= 0, iat= -1,1116, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67,
igr1=1041,1050,
&end
#
# 68 TYR HD 76 THR QG2 3.43
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
igr1=1041,1050,
igr2=1160,1161,1162,
&end
#
# 68 TYR HE 104 VAL QG1 3.89
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.89, r4= 6.39,
igr1=1043,1048,
igr2=1554,1555,1556,1558,1559,1560,
&end
#
# 68 TYR HE 104 VAL QG2 4.74
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.17, r4= 7.67,
igr1=1043,1048,
igr2=1554,1555,1556,1558,1559,1560,
&end
#
# 68 TYR HE 69 ASP H 5.12
&rst
ixpk= 0, nxpk= 0, iat= -1,1054, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25,
igr1=1043,1048,
&end
#
# 68 TYR HE 76 THR QG2 5.03
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.78, r4= 7.28,
igr1=1043,1048,
igr2=1160,1161,1162,
&end
#
# 69 ASP H 104 VAL QG2 5.10
&rst
ixpk= 0, nxpk= 0, iat=1054, -1, r1= 1.30, r2= 1.80, r3= 6.87, r4= 7.37,
igr2=1554,1555,1556,1558,1559,1560,
&end
#
# 69 ASP H 69 ASP HB2 4.19
&rst
ixpk= 0, nxpk= 0, iat=1054,1058, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69, &end
#
# 69 ASP H 69 ASP HB3 4.09
&rst
ixpk= 0, nxpk= 0, iat=1054,1059, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59, &end
#
# 69 ASP H 70 SER H 5.50
&rst
ixpk= 0, nxpk= 0, iat=1054,1066, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 69 ASP H 72 SER H 5.35
&rst
ixpk= 0, nxpk= 0, iat=1054,1091, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85, &end
#
# 69 ASP H 73 ASN HA 5.05
&rst
ixpk= 0, nxpk= 0, iat=1054,1104, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, &end
#
# 69 ASP H 74 THR H 4.36
&rst
ixpk= 0, nxpk= 0, iat=1054,1116, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86, &end
#
# 69 ASP H 74 THR HB 5.24
&rst
ixpk= 0, nxpk= 0, iat=1054,1120, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74, &end
#
# 69 ASP H 74 THR QG2 5.43
&rst
ixpk= 0, nxpk= 0, iat=1054, -1, r1= 1.30, r2= 1.80, r3= 6.52, r4= 7.02,
igr2=1122,1123,1124,
&end
#
# 69 ASP H 75 TRP HA 4.87
&rst
ixpk= 0, nxpk= 0, iat=1054,1132, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37, &end
#
# 69 ASP HA 71 ASN HND1 3.93
&rst
ixpk= 0, nxpk= 0, iat=1056,1087, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, &end
#
# 69 ASP HA 71 ASN HND2 4.08
&rst
ixpk= 0, nxpk= 0, iat=1056,1086, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58, &end
#
# 69 ASP HB2 70 SER H 5.21
&rst
ixpk= 0, nxpk= 0, iat=1058,1066, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71, &end
#
# 69 ASP HB2 72 SER H 3.54
&rst
ixpk= 0, nxpk= 0, iat=1058,1091, r1= 1.30, r2= 1.80, r3= 3.54, r4= 4.04, &end
#
# 69 ASP HB2 72 SER QB 4.05
&rst
ixpk= 0, nxpk= 0, iat=1058, -1, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05,
igr2=1095,1096,
&end
#
# 69 ASP HB2 74 THR H 4.21
&rst
ixpk= 0, nxpk= 0, iat=1058,1116, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71, &end
#
# 69 ASP HB2 74 THR QG2 4.94
&rst
ixpk= 0, nxpk= 0, iat=1058, -1, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43,
igr2=1122,1123,1124,
&end
#
# 69 ASP HB3 70 SER H 5.14
&rst
ixpk= 0, nxpk= 0, iat=1059,1066, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64, &end
#
# 69 ASP HB3 70 SER HB2 5.28
&rst
ixpk= 0, nxpk= 0, iat=1059,1070, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78, &end
#
# 69 ASP HB3 71 ASN H 4.83
&rst
ixpk= 0, nxpk= 0, iat=1059,1077, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33, &end
#
# 69 ASP HB3 72 SER H 4.68
&rst
ixpk= 0, nxpk= 0, iat=1059,1091, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18, &end
#
# 69 ASP HB3 72 SER QB 4.48
&rst
ixpk= 0, nxpk= 0, iat=1059, -1, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,
igr2=1095,1096,
&end
#
# 70 SER H 71 ASN H 4.42
&rst
ixpk= 0, nxpk= 0, iat=1066,1077, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92, &end
#
# 70 SER H 72 SER H 5.26
&rst
ixpk= 0, nxpk= 0, iat=1066,1091, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76, &end
#
# 70 SER HA 72 SER H 4.53
&rst
ixpk= 0, nxpk= 0, iat=1068,1091, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03, &end
#
# 70 SER HA 73 ASN H 4.26
&rst
ixpk= 0, nxpk= 0, iat=1068,1102, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76, &end
#
# 70 SER HA 73 ASN HA 4.83
&rst
ixpk= 0, nxpk= 0, iat=1068,1104, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33, &end
#
# 70 SER HA 73 ASN HB3 5.15
&rst
ixpk= 0, nxpk= 0, iat=1068,1107, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65, &end
#
# 70 SER HA 74 THR H 4.92
&rst
ixpk= 0, nxpk= 0, iat=1068,1116, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42, &end
#
# 70 SER HB2 71 ASN H 3.83
&rst
ixpk= 0, nxpk= 0, iat=1070,1077, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33, &end
#
# 70 SER HB2 71 ASN HND2 5.50
&rst
ixpk= 0, nxpk= 0, iat=1070,1086, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 70 SER HB3 71 ASN H 4.25
&rst
ixpk= 0, nxpk= 0, iat=1071,1077, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75, &end
#
# 70 SER HB3 71 ASN HND2 5.50
&rst
ixpk= 0, nxpk= 0, iat=1071,1086, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 70 SER HB3 73 ASN H 5.12
&rst
ixpk= 0, nxpk= 0, iat=1071,1102, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62, &end
#
# 71 ASN H 71 ASN HB2 3.23
&rst
ixpk= 0, nxpk= 0, iat=1077,1081, r1= 1.30, r2= 1.80, r3= 3.23, r4= 3.73, &end
#
# 71 ASN H 71 ASN HB3 3.61
&rst
ixpk= 0, nxpk= 0, iat=1077,1082, r1= 1.30, r2= 1.80, r3= 3.61, r4= 4.11, &end
#
# 71 ASN H 71 ASN HND1 4.20
&rst
ixpk= 0, nxpk= 0, iat=1077,1087, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 71 ASN H 71 ASN HND2 4.27
&rst
ixpk= 0, nxpk= 0, iat=1077,1086, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77, &end
#
# 71 ASN H 72 SER H 3.48
&rst
ixpk= 0, nxpk= 0, iat=1077,1091, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98, &end
#
# 71 ASN H 73 ASN H 4.28
&rst
ixpk= 0, nxpk= 0, iat=1077,1102, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78, &end
#
# 71 ASN HA 71 ASN HB2 2.98
&rst
ixpk= 0, nxpk= 0, iat=1079,1081, r1= 1.30, r2= 1.80, r3= 2.98, r4= 3.48, &end
#
# 71 ASN HA 71 ASN HB3 2.95
&rst
ixpk= 0, nxpk= 0, iat=1079,1082, r1= 1.30, r2= 1.80, r3= 2.95, r4= 3.45, &end
#
# 71 ASN HB2 71 ASN HND1 3.51
&rst
ixpk= 0, nxpk= 0, iat=1081,1087, r1= 1.30, r2= 1.80, r3= 3.51, r4= 4.01, &end
#
# 71 ASN HB2 71 ASN HND2 3.63
&rst
ixpk= 0, nxpk= 0, iat=1081,1086, r1= 1.30, r2= 1.80, r3= 3.63, r4= 4.13, &end
#
# 71 ASN HB2 72 SER H 3.77
&rst
ixpk= 0, nxpk= 0, iat=1081,1091, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27, &end
#
# 71 ASN HB3 71 ASN HND1 3.62
&rst
ixpk= 0, nxpk= 0, iat=1082,1087, r1= 1.30, r2= 1.80, r3= 3.62, r4= 4.12, &end
#
# 71 ASN HB3 72 SER H 4.12
&rst
ixpk= 0, nxpk= 0, iat=1082,1091, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62, &end
#
# 72 SER H 72 SER QB 3.38
&rst
ixpk= 0, nxpk= 0, iat=1091, -1, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29,
igr2=1095,1096,
&end
#
# 72 SER H 73 ASN H 3.62
&rst
ixpk= 0, nxpk= 0, iat=1091,1102, r1= 1.30, r2= 1.80, r3= 3.62, r4= 4.12, &end
#
# 72 SER H 73 ASN HB2 5.50
&rst
ixpk= 0, nxpk= 0, iat=1091,1106, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 72 SER H 74 THR H 4.74
&rst
ixpk= 0, nxpk= 0, iat=1091,1116, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24, &end
#
# 72 SER H 74 THR QG2 5.27
&rst
ixpk= 0, nxpk= 0, iat=1091, -1, r1= 1.30, r2= 1.80, r3= 6.33, r4= 6.83,
igr2=1122,1123,1124,
&end
#
# 72 SER HA 73 ASN HB2 4.55
&rst
ixpk= 0, nxpk= 0, iat=1093,1106, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05, &end
#
# 72 SER QB 73 ASN H 4.02
&rst
ixpk= 0, nxpk= 0, iat= -1,1102, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01,
igr1=1095,1096,
&end
#
# 72 SER QB 74 THR H 4.02
&rst
ixpk= 0, nxpk= 0, iat= -1,1116, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01,
igr1=1095,1096,
&end
#
# 72 SER QB 74 THR QG2 3.80
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
igr1=1095,1096,
igr2=1122,1123,1124,
&end
#
# 73 ASN H 106 THR QG2 5.50
&rst
ixpk= 0, nxpk= 0, iat=1102, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1594,1595,1596,
&end
#
# 73 ASN H 73 ASN HB2 4.00
&rst
ixpk= 0, nxpk= 0, iat=1102,1106, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 73 ASN H 73 ASN HB3 4.00
&rst
ixpk= 0, nxpk= 0, iat=1102,1107, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 73 ASN H 74 THR H 4.00
&rst
ixpk= 0, nxpk= 0, iat=1102,1116, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 73 ASN H 74 THR QG2 5.24
&rst
ixpk= 0, nxpk= 0, iat=1102, -1, r1= 1.30, r2= 1.80, r3= 6.29, r4= 6.79,
igr2=1122,1123,1124,
&end
#
# 73 ASN HA 106 THR QG2 4.87
&rst
ixpk= 0, nxpk= 0, iat=1104, -1, r1= 1.30, r2= 1.80, r3= 5.85, r4= 6.35,
igr2=1594,1595,1596,
&end
#
# 73 ASN HA 73 ASN HND1 4.61
&rst
ixpk= 0, nxpk= 0, iat=1104,1112, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11, &end
#
# 73 ASN HA 74 THR H 3.50
&rst
ixpk= 0, nxpk= 0, iat=1104,1116, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 73 ASN HA 75 TRP HE1 4.20
&rst
ixpk= 0, nxpk= 0, iat=1104,1140, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 73 ASN HB2 106 THR HA 5.00
&rst
ixpk= 0, nxpk= 0, iat=1106,1590, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 73 ASN HB2 106 THR QG2 3.81
&rst
ixpk= 0, nxpk= 0, iat=1106, -1, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
igr2=1594,1595,1596,
&end
#
# 73 ASN HB2 107 LEU H 4.48
&rst
ixpk= 0, nxpk= 0, iat=1106,1602, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98, &end
#
# 73 ASN HB2 73 ASN HND1 3.69
&rst
ixpk= 0, nxpk= 0, iat=1106,1112, r1= 1.30, r2= 1.80, r3= 3.69, r4= 4.19, &end
#
# 73 ASN HB2 73 ASN HND2 3.69
&rst
ixpk= 0, nxpk= 0, iat=1106,1111, r1= 1.30, r2= 1.80, r3= 3.69, r4= 4.19, &end
#
# 73 ASN HB2 74 THR H 4.63
&rst
ixpk= 0, nxpk= 0, iat=1106,1116, r1= 1.30, r2= 1.80, r3= 4.63, r4= 5.13, &end
#
# 73 ASN HB2 74 THR QG2 4.92
&rst
ixpk= 0, nxpk= 0, iat=1106, -1, r1= 1.30, r2= 1.80, r3= 5.91, r4= 6.41,
igr2=1122,1123,1124,
&end
#
# 73 ASN HB2 75 TRP HE1 4.86
&rst
ixpk= 0, nxpk= 0, iat=1106,1140, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36, &end
#
# 73 ASN HB3 106 THR QG2 3.91
&rst
ixpk= 0, nxpk= 0, iat=1107, -1, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,
igr2=1594,1595,1596,
&end
#
# 73 ASN HB3 108 THR HA 5.16
&rst
ixpk= 0, nxpk= 0, iat=1107,1623, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66, &end
#
# 73 ASN HB3 73 ASN HND1 3.81
&rst
ixpk= 0, nxpk= 0, iat=1107,1112, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31, &end
#
# 73 ASN HB3 73 ASN HND2 3.62
&rst
ixpk= 0, nxpk= 0, iat=1107,1111, r1= 1.30, r2= 1.80, r3= 3.62, r4= 4.12, &end
#
# 73 ASN HB3 75 TRP HE1 4.92
&rst
ixpk= 0, nxpk= 0, iat=1107,1140, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42, &end
#
# 73 ASN HND1 106 THR QG2 4.20
&rst
ixpk= 0, nxpk= 0, iat=1112, -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr2=1594,1595,1596,
&end
#
# 73 ASN HND1 108 THR HA 4.23
&rst
ixpk= 0, nxpk= 0, iat=1112,1623, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73, &end
#
# 73 ASN HND1 108 THR QG2 4.75
&rst
ixpk= 0, nxpk= 0, iat=1112, -1, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,
igr2=1627,1628,1629,
&end
#
# 73 ASN HND1 109 LEU H 5.11
&rst
ixpk= 0, nxpk= 0, iat=1112,1635, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61, &end
#
# 73 ASN HND1 75 TRP HE1 5.50
&rst
ixpk= 0, nxpk= 0, iat=1112,1140, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 73 ASN HND2 106 THR QG2 5.13
&rst
ixpk= 0, nxpk= 0, iat=1111, -1, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66,
igr2=1594,1595,1596,
&end
#
# 73 ASN HND2 107 LEU H 6.00
&rst
ixpk= 0, nxpk= 0, iat=1111,1602, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 73 ASN HND2 108 THR HA 4.29
&rst
ixpk= 0, nxpk= 0, iat=1111,1623, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79, &end
#
# 73 ASN HND2 108 THR QG2 4.60
&rst
ixpk= 0, nxpk= 0, iat=1111, -1, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02,
igr2=1627,1628,1629,
&end
#
# 73 ASN HND2 109 LEU H 4.78
&rst
ixpk= 0, nxpk= 0, iat=1111,1635, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28, &end
#
# 74 THR H 104 VAL QG1 5.50
&rst
ixpk= 0, nxpk= 0, iat=1116, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2=1554,1555,1556,1558,1559,1560,
&end
#
# 74 THR H 106 THR QG2 5.30
&rst
ixpk= 0, nxpk= 0, iat=1116, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr2=1594,1595,1596,
&end
#
# 74 THR H 74 THR QG2 4.18
&rst
ixpk= 0, nxpk= 0, iat=1116, -1, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52,
igr2=1122,1123,1124,
&end
#
# 74 THR H 75 TRP H 4.94
&rst
ixpk= 0, nxpk= 0, iat=1116,1130, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44, &end
#
# 74 THR H 75 TRP HE1 5.09
&rst
ixpk= 0, nxpk= 0, iat=1116,1140, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59, &end
#
# 74 THR HA 104 VAL QG1 4.26
&rst
ixpk= 0, nxpk= 0, iat=1118, -1, r1= 1.30, r2= 1.80, r3= 5.74, r4= 6.24,
igr2=1554,1555,1556,1558,1559,1560,
&end
#
# 74 THR HA 106 THR HA 3.61
&rst
ixpk= 0, nxpk= 0, iat=1118,1590, r1= 1.30, r2= 1.80, r3= 3.61, r4= 4.11, &end
#
# 74 THR HA 106 THR QG2 4.32
&rst
ixpk= 0, nxpk= 0, iat=1118, -1, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,
igr2=1594,1595,1596,
&end
#
# 74 THR HA 107 LEU H 5.07
&rst
ixpk= 0, nxpk= 0, iat=1118,1602, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57, &end
#
# 74 THR HA 107 LEU QD1 5.50
&rst
ixpk= 0, nxpk= 0, iat=1118, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2=1611,1612,1613,1615,1616,1617,
&end
#
# 74 THR HA 107 LEU QD2 5.39
&rst
ixpk= 0, nxpk= 0, iat=1118, -1, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
igr2=1611,1612,1613,1615,1616,1617,
&end
#
# 74 THR HA 74 THR QG2 3.60
&rst
ixpk= 0, nxpk= 0, iat=1118, -1, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82,
igr2=1122,1123,1124,
&end
#
# 74 THR HA 75 TRP HA 4.61
&rst
ixpk= 0, nxpk= 0, iat=1118,1132, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11, &end
#
# 74 THR HA 75 TRP HB2 4.65
&rst
ixpk= 0, nxpk= 0, iat=1118,1134, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15, &end
#
# 74 THR HA 75 TRP HD1 3.59
&rst
ixpk= 0, nxpk= 0, iat=1118,1138, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09, &end
#
# 74 THR HA 75 TRP HE1 5.50
&rst
ixpk= 0, nxpk= 0, iat=1118,1140, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 74 THR HB 104 VAL HB 4.19
&rst
ixpk= 0, nxpk= 0, iat=1120,1552, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69, &end
#
# 74 THR HB 104 VAL QG1 3.71
&rst
ixpk= 0, nxpk= 0, iat=1120, -1, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
igr2=1554,1555,1556,1558,1559,1560,
&end
#
# 74 THR HB 104 VAL QG2 3.84
&rst
ixpk= 0, nxpk= 0, iat=1120, -1, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68,
igr2=1554,1555,1556,1558,1559,1560,
&end
#
# 74 THR HB 105 TRP H 4.56
&rst
ixpk= 0, nxpk= 0, iat=1120,1564, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06, &end
#
# 74 THR HB 75 TRP H 4.39
&rst
ixpk= 0, nxpk= 0, iat=1120,1130, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89, &end
#
# 74 THR QG2 104 VAL H 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1548, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1122,1123,1124,
&end
#
# 74 THR QG2 104 VAL HB 4.24
&rst
ixpk= 0, nxpk= 0, iat= -1,1552, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
igr1=1122,1123,1124,
&end
#
# 74 THR QG2 104 VAL QG1 3.46
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,
igr1=1122,1123,1124,
igr2=1554,1555,1556,1558,1559,1560,
&end
#
# 74 THR QG2 104 VAL QG2 4.27
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.91, r4= 7.41,
igr1=1122,1123,1124,
igr2=1554,1555,1556,1558,1559,1560,
&end
#
# 74 THR QG2 105 TRP H 4.37
&rst
ixpk= 0, nxpk= 0, iat= -1,1564, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75,
igr1=1122,1123,1124,
&end
#
# 74 THR QG2 105 TRP HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1566, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1122,1123,1124,
&end
#
# 74 THR QG2 106 THR H 5.05
&rst
ixpk= 0, nxpk= 0, iat= -1,1588, r1= 1.30, r2= 1.80, r3= 6.06, r4= 6.56,
igr1=1122,1123,1124,
&end
#
# 74 THR QG2 106 THR HA 3.51
&rst
ixpk= 0, nxpk= 0, iat= -1,1590, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72,
igr1=1122,1123,1124,
&end
#
# 74 THR QG2 106 THR QG2 3.56
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63,
igr1=1122,1123,1124,
igr2=1594,1595,1596,
&end
#
# 74 THR QG2 107 LEU H 4.86
&rst
ixpk= 0, nxpk= 0, iat= -1,1602, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
igr1=1122,1123,1124,
&end
#
# 74 THR QG2 119 GLY H 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1776, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1122,1123,1124,
&end
#
# 74 THR QG2 75 TRP H 3.87
&rst
ixpk= 0, nxpk= 0, iat= -1,1130, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,
igr1=1122,1123,1124,
&end
#
# 74 THR QG2 75 TRP HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1132, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1122,1123,1124,
&end
#
# 75 TRP H 104 VAL HB 4.62
&rst
ixpk= 0, nxpk= 0, iat=1130,1552, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12, &end
#
# 75 TRP H 104 VAL QG1 4.31
&rst
ixpk= 0, nxpk= 0, iat=1130, -1, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31,
igr2=1554,1555,1556,1558,1559,1560,
&end
#
# 75 TRP H 104 VAL QG2 4.87
&rst
ixpk= 0, nxpk= 0, iat=1130, -1, r1= 1.30, r2= 1.80, r3= 6.56, r4= 7.06,
igr2=1554,1555,1556,1558,1559,1560,
&end
#
# 75 TRP H 105 TRP H 4.38
&rst
ixpk= 0, nxpk= 0, iat=1130,1564, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88, &end
#
# 75 TRP H 106 THR HA 4.30
&rst
ixpk= 0, nxpk= 0, iat=1130,1590, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 75 TRP H 106 THR QG2 5.50
&rst
ixpk= 0, nxpk= 0, iat=1130, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1594,1595,1596,
&end
#
# 75 TRP H 107 LEU H 5.28
&rst
ixpk= 0, nxpk= 0, iat=1130,1602, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78, &end
#
# 75 TRP H 107 LEU HG 5.45
&rst
ixpk= 0, nxpk= 0, iat=1130,1609, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95, &end
#
# 75 TRP H 107 LEU QD1 4.60
&rst
ixpk= 0, nxpk= 0, iat=1130, -1, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70,
igr2=1611,1612,1613,1615,1616,1617,
&end
#
# 75 TRP H 107 LEU QD2 5.16
&rst
ixpk= 0, nxpk= 0, iat=1130, -1, r1= 1.30, r2= 1.80, r3= 6.96, r4= 7.46,
igr2=1611,1612,1613,1615,1616,1617,
&end
#
# 75 TRP H 75 TRP HD1 3.69
&rst
ixpk= 0, nxpk= 0, iat=1130,1138, r1= 1.30, r2= 1.80, r3= 3.69, r4= 4.19, &end
#
# 75 TRP HA 104 VAL QG2 5.26
&rst
ixpk= 0, nxpk= 0, iat=1132, -1, r1= 1.30, r2= 1.80, r3= 7.09, r4= 7.59,
igr2=1554,1555,1556,1558,1559,1560,
&end
#
# 75 TRP HA 107 LEU QD1 4.85
&rst
ixpk= 0, nxpk= 0, iat=1132, -1, r1= 1.30, r2= 1.80, r3= 6.54, r4= 7.04,
igr2=1611,1612,1613,1615,1616,1617,
&end
#
# 75 TRP HA 75 TRP HE3 3.87
&rst
ixpk= 0, nxpk= 0, iat=1132,1149, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37, &end
#
# 75 TRP HA 76 THR QG2 4.46
&rst
ixpk= 0, nxpk= 0, iat=1132, -1, r1= 1.30, r2= 1.80, r3= 5.36, r4= 5.86,
igr2=1160,1161,1162,
&end
#
# 75 TRP HB2 107 LEU QD1 4.34
&rst
ixpk= 0, nxpk= 0, iat=1134, -1, r1= 1.30, r2= 1.80, r3= 5.85, r4= 6.35,
igr2=1611,1612,1613,1615,1616,1617,
&end
#
# 75 TRP HB2 76 THR H 4.14
&rst
ixpk= 0, nxpk= 0, iat=1134,1154, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64, &end
#
# 75 TRP HB3 107 LEU QD1 4.01
&rst
ixpk= 0, nxpk= 0, iat=1135, -1, r1= 1.30, r2= 1.80, r3= 5.41, r4= 5.91,
igr2=1611,1612,1613,1615,1616,1617,
&end
#
# 75 TRP HB3 76 THR H 4.12
&rst
ixpk= 0, nxpk= 0, iat=1135,1154, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62, &end
#
# 75 TRP HD1 106 THR HA 3.82
&rst
ixpk= 0, nxpk= 0, iat=1138,1590, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32, &end
#
# 75 TRP HD1 107 LEU H 3.79
&rst
ixpk= 0, nxpk= 0, iat=1138,1602, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29, &end
#
# 75 TRP HD1 107 LEU HG 4.32
&rst
ixpk= 0, nxpk= 0, iat=1138,1609, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82, &end
#
# 75 TRP HD1 107 LEU QD1 3.55
&rst
ixpk= 0, nxpk= 0, iat=1138, -1, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,
igr2=1611,1612,1613,1615,1616,1617,
&end
#
# 75 TRP HD1 107 LEU QD2 3.91
&rst
ixpk= 0, nxpk= 0, iat=1138, -1, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77,
igr2=1611,1612,1613,1615,1616,1617,
&end
#
# 75 TRP HE1 106 THR HA 5.50
&rst
ixpk= 0, nxpk= 0, iat=1140,1590, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 75 TRP HE1 106 THR QG2 5.50
&rst
ixpk= 0, nxpk= 0, iat=1140, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1594,1595,1596,
&end
#
# 75 TRP HE1 107 LEU H 4.66
&rst
ixpk= 0, nxpk= 0, iat=1140,1602, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16, &end
#
# 75 TRP HE1 107 LEU HB2 5.24
&rst
ixpk= 0, nxpk= 0, iat=1140,1606, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74, &end
#
# 75 TRP HE1 107 LEU HB3 4.62
&rst
ixpk= 0, nxpk= 0, iat=1140,1607, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12, &end
#
# 75 TRP HE1 107 LEU HG 5.26
&rst
ixpk= 0, nxpk= 0, iat=1140,1609, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76, &end
#
# 75 TRP HE1 107 LEU QD1 4.28
&rst
ixpk= 0, nxpk= 0, iat=1140, -1, r1= 1.30, r2= 1.80, r3= 5.77, r4= 6.27,
igr2=1611,1612,1613,1615,1616,1617,
&end
#
# 75 TRP HE3 76 THR H 4.49
&rst
ixpk= 0, nxpk= 0, iat=1149,1154, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99, &end
#
# 76 THR H 76 THR QG2 3.98
&rst
ixpk= 0, nxpk= 0, iat=1154, -1, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28,
igr2=1160,1161,1162,
&end
#
# 76 THR H 77 ILE QD1 5.02
&rst
ixpk= 0, nxpk= 0, iat=1154, -1, r1= 1.30, r2= 1.80, r3= 6.03, r4= 6.53,
igr2=1181,1182,1183,
&end
#
# 76 THR HA 76 THR QG2 3.54
&rst
ixpk= 0, nxpk= 0, iat=1156, -1, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75,
igr2=1160,1161,1162,
&end
#
# 76 THR HB 77 ILE H 4.76
&rst
ixpk= 0, nxpk= 0, iat=1158,1168, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26, &end
#
# 76 THR HB 86 GLN HNE1 5.47
&rst
ixpk= 0, nxpk= 0, iat=1158,1298, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97, &end
#
# 76 THR HB 86 GLN HNE2 5.50
&rst
ixpk= 0, nxpk= 0, iat=1158,1297, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 76 THR HB 86 GLN HG2 5.05
&rst
ixpk= 0, nxpk= 0, iat=1158,1292, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, &end
#
# 76 THR QG2 102 ASN HA 4.77
&rst
ixpk= 0, nxpk= 0, iat= -1,1515, r1= 1.30, r2= 1.80, r3= 5.73, r4= 6.23,
igr1=1160,1161,1162,
&end
#
# 76 THR QG2 103 TYR H 4.66
&rst
ixpk= 0, nxpk= 0, iat= -1,1527, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,
igr1=1160,1161,1162,
&end
#
# 76 THR QG2 104 VAL H 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1548, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1160,1161,1162,
&end
#
# 76 THR QG2 104 VAL HA 4.77
&rst
ixpk= 0, nxpk= 0, iat= -1,1550, r1= 1.30, r2= 1.80, r3= 5.73, r4= 6.23,
igr1=1160,1161,1162,
&end
#
# 76 THR QG2 104 VAL QG1 4.51
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.30, r4= 7.80,
igr1=1160,1161,1162,
igr2=1554,1555,1556,1558,1559,1560,
&end
#
# 76 THR QG2 104 VAL QG2 3.68
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.96, r4= 6.46,
igr1=1160,1161,1162,
igr2=1554,1555,1556,1558,1559,1560,
&end
#
# 76 THR QG2 105 TRP H 5.01
&rst
ixpk= 0, nxpk= 0, iat= -1,1564, r1= 1.30, r2= 1.80, r3= 6.02, r4= 6.52,
igr1=1160,1161,1162,
&end
#
# 76 THR QG2 77 ILE H 4.31
&rst
ixpk= 0, nxpk= 0, iat= -1,1168, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68,
igr1=1160,1161,1162,
&end
#
# 76 THR QG2 86 GLN HNE1 4.06
&rst
ixpk= 0, nxpk= 0, iat= -1,1298, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,
igr1=1160,1161,1162,
&end
#
# 76 THR QG2 86 GLN HNE2 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1297, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1=1160,1161,1162,
&end
#
# 77 ILE H 105 TRP HD1 5.27
&rst
ixpk= 0, nxpk= 0, iat=1168,1572, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77, &end
#
# 77 ILE H 77 ILE QD1 4.46
&rst
ixpk= 0, nxpk= 0, iat=1168, -1, r1= 1.30, r2= 1.80, r3= 5.36, r4= 5.86,
igr2=1181,1182,1183,
&end
#
# 77 ILE HA 77 ILE QD1 3.77
&rst
ixpk= 0, nxpk= 0, iat=1170, -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
igr2=1181,1182,1183,
&end
#
# 77 ILE HA 77 ILE QG2 3.91
&rst
ixpk= 0, nxpk= 0, iat=1170, -1, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,
igr2=1174,1175,1176,
&end
#
# 77 ILE HB 105 TRP HD1 4.38
&rst
ixpk= 0, nxpk= 0, iat=1172,1572, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88, &end
#
# 77 ILE HB 77 ILE QD1 3.64
&rst
ixpk= 0, nxpk= 0, iat=1172, -1, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87,
igr2=1181,1182,1183,
&end
#
# 77 ILE HB 78 SER HA 4.86
&rst
ixpk= 0, nxpk= 0, iat=1172,1189, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36, &end
#
# 77 ILE HB 87 ILE H 5.16
&rst
ixpk= 0, nxpk= 0, iat=1172,1302, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66, &end
#
# 77 ILE HB 87 ILE HB 4.81
&rst
ixpk= 0, nxpk= 0, iat=1172,1306, r1= 1.30, r2= 1.80, r3= 4.81, r4= 5.31, &end
#
# 77 ILE HG13 105 TRP HD1 3.84
&rst
ixpk= 0, nxpk= 0, iat=1179,1572, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34, &end
#
# 77 ILE QD1 105 TRP H 5.27
&rst
ixpk= 0, nxpk= 0, iat= -1,1564, r1= 1.30, r2= 1.80, r3= 6.33, r4= 6.83,
igr1=1181,1182,1183,
&end
#
# 77 ILE QD1 105 TRP HB3 4.58
&rst
ixpk= 0, nxpk= 0, iat= -1,1569, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
igr1=1181,1182,1183,
&end
#
# 77 ILE QD1 105 TRP HD1 3.49
&rst
ixpk= 0, nxpk= 0, iat= -1,1572, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69,
igr1=1181,1182,1183,
&end
#
# 77 ILE QD1 105 TRP HE1 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1574, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1181,1182,1183,
&end
#
# 77 ILE QD1 107 LEU HG 4.93
&rst
ixpk= 0, nxpk= 0, iat= -1,1609, r1= 1.30, r2= 1.80, r3= 5.92, r4= 6.42,
igr1=1181,1182,1183,
&end
#
# 77 ILE QD1 107 LEU QD2 3.32
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,
igr1=1181,1182,1183,
igr2=1611,1612,1613,1615,1616,1617,
&end
#
# 77 ILE QD1 78 SER H 4.41
&rst
ixpk= 0, nxpk= 0, iat= -1,1187, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1=1181,1182,1183,
&end
#
# 77 ILE QG2 125 TRP HH2 4.76
&rst
ixpk= 0, nxpk= 0, iat= -1,1885, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,
igr1=1174,1175,1176,
&end
#
# 77 ILE QG2 77 ILE QD1 3.17
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07,
igr1=1174,1175,1176,
igr2=1181,1182,1183,
&end
#
# 77 ILE QG2 78 SER H 3.88
&rst
ixpk= 0, nxpk= 0, iat= -1,1187, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,
igr1=1174,1175,1176,
&end
#
# 77 ILE QG2 86 GLN HNE1 5.33
&rst
ixpk= 0, nxpk= 0, iat= -1,1298, r1= 1.30, r2= 1.80, r3= 6.40, r4= 6.90,
igr1=1174,1175,1176,
&end
#
# 77 ILE QG2 87 ILE H 5.24
&rst
ixpk= 0, nxpk= 0, iat= -1,1302, r1= 1.30, r2= 1.80, r3= 6.29, r4= 6.79,
igr1=1174,1175,1176,
&end
#
# 77 ILE QG2 87 ILE HB 5.46
&rst
ixpk= 0, nxpk= 0, iat= -1,1306, r1= 1.30, r2= 1.80, r3= 6.56, r4= 7.06,
igr1=1174,1175,1176,
&end
#
# 77 ILE QG2 87 ILE HG12 4.27
&rst
ixpk= 0, nxpk= 0, iat= -1,1312, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63,
igr1=1174,1175,1176,
&end
#
# 77 ILE QG2 87 ILE QD1 3.96
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.71, r4= 6.21,
igr1=1174,1175,1176,
igr2=1315,1316,1317,
&end
#
# 78 SER HA 79 PRO HD2 5.50
&rst
ixpk= 0, nxpk= 0, iat=1189,1199, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 78 SER HA 79 PRO HD3 5.50
&rst
ixpk= 0, nxpk= 0, iat=1189,1200, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 78 SER HA 85 SER H 5.41
&rst
ixpk= 0, nxpk= 0, iat=1189,1274, r1= 1.30, r2= 1.80, r3= 5.41, r4= 5.91, &end
#
# 78 SER HA 86 GLN HA 4.41
&rst
ixpk= 0, nxpk= 0, iat=1189,1287, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91, &end
#
# 78 SER HA 87 ILE HG12 4.67
&rst
ixpk= 0, nxpk= 0, iat=1189,1312, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17, &end
#
# 78 SER HB2 79 PRO HA 5.41
&rst
ixpk= 0, nxpk= 0, iat=1191,1208, r1= 1.30, r2= 1.80, r3= 5.41, r4= 5.91, &end
#
# 79 PRO HA 80 VAL QG2 3.89
&rst
ixpk= 0, nxpk= 0, iat=1208, -1, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,
igr2=1218,1219,1220,1222,1223,1224,
&end
#
# 79 PRO HB2 82 SER H 5.40
&rst
ixpk= 0, nxpk= 0, iat=1205,1235, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, &end
#
# 79 PRO HB2 82 SER HB2 5.02
&rst
ixpk= 0, nxpk= 0, iat=1205,1239, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52, &end
#
# 79 PRO HB3 81 GLY H 4.90
&rst
ixpk= 0, nxpk= 0, iat=1206,1228, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40, &end
#
# 79 PRO HB3 82 SER H 4.80
&rst
ixpk= 0, nxpk= 0, iat=1206,1235, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, &end
#
# 79 PRO HG2 82 SER HB2 5.21
&rst
ixpk= 0, nxpk= 0, iat=1202,1239, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71, &end
#
# 79 PRO HG2 82 SER HB3 4.66
&rst
ixpk= 0, nxpk= 0, iat=1202,1240, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16, &end
#
# 79 PRO HG3 82 SER HB2 3.72
&rst
ixpk= 0, nxpk= 0, iat=1203,1239, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22, &end
#
# 79 PRO HG3 85 SER H 4.98
&rst
ixpk= 0, nxpk= 0, iat=1203,1274, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48, &end
#
# 80 VAL H 80 VAL HB 3.73
&rst
ixpk= 0, nxpk= 0, iat=1212,1216, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23, &end
#
# 80 VAL H 80 VAL QG1 3.87
&rst
ixpk= 0, nxpk= 0, iat=1212, -1, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
igr2=1218,1219,1220,1222,1223,1224,
&end
#
# 80 VAL H 80 VAL QG2 3.35
&rst
ixpk= 0, nxpk= 0, iat=1212, -1, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02,
igr2=1218,1219,1220,1222,1223,1224,
&end
#
# 80 VAL H 81 GLY H 4.67
&rst
ixpk= 0, nxpk= 0, iat=1212,1228, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17, &end
#
# 80 VAL H 81 GLY HA2 5.25
&rst
ixpk= 0, nxpk= 0, iat=1212,1230, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75, &end
#
# 80 VAL HA 80 VAL QG1 3.19
&rst
ixpk= 0, nxpk= 0, iat=1214, -1, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,
igr2=1218,1219,1220,1222,1223,1224,
&end
#
# 80 VAL HA 80 VAL QG2 3.23
&rst
ixpk= 0, nxpk= 0, iat=1214, -1, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85,
igr2=1218,1219,1220,1222,1223,1224,
&end
#
# 80 VAL HB 81 GLY H 4.42
&rst
ixpk= 0, nxpk= 0, iat=1216,1228, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92, &end
#
# 80 VAL QG1 81 GLY H 4.03
&rst
ixpk= 0, nxpk= 0, iat= -1,1228, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,
igr1=1218,1219,1220,1222,1223,1224,
&end
#
# 80 VAL QG1 81 GLY HA2 4.36
&rst
ixpk= 0, nxpk= 0, iat= -1,1230, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
igr1=1218,1219,1220,1222,1223,1224,
&end
#
# 80 VAL QG1 81 GLY HA3 5.15
&rst
ixpk= 0, nxpk= 0, iat= -1,1231, r1= 1.30, r2= 1.80, r3= 6.94, r4= 7.44,
igr1=1218,1219,1220,1222,1223,1224,
&end
#
# 80 VAL QG2 81 GLY H 3.93
&rst
ixpk= 0, nxpk= 0, iat= -1,1228, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1=1218,1219,1220,1222,1223,1224,
&end
#
# 81 GLY H 82 SER H 3.90
&rst
ixpk= 0, nxpk= 0, iat=1228,1235, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40, &end
#
# 81 GLY H 82 SER HA 5.39
&rst
ixpk= 0, nxpk= 0, iat=1228,1237, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89, &end
#
# 81 GLY HA3 82 SER HA 5.39
&rst
ixpk= 0, nxpk= 0, iat=1231,1237, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89, &end
#
# 82 SER H 83 PRO HA 4.83
&rst
ixpk= 0, nxpk= 0, iat=1235,1256, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33, &end
#
# 82 SER H 83 PRO HD2 5.35
&rst
ixpk= 0, nxpk= 0, iat=1235,1247, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85, &end
#
# 82 SER H 83 PRO HD3 5.02
&rst
ixpk= 0, nxpk= 0, iat=1235,1248, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52, &end
#
# 82 SER H 84 ASN H 5.50
&rst
ixpk= 0, nxpk= 0, iat=1235,1260, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 82 SER HA 83 PRO HA 4.65
&rst
ixpk= 0, nxpk= 0, iat=1237,1256, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15, &end
#
# 82 SER HA 83 PRO HD2 3.91
&rst
ixpk= 0, nxpk= 0, iat=1237,1247, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41, &end
#
# 82 SER HA 83 PRO HG2 4.58
&rst
ixpk= 0, nxpk= 0, iat=1237,1250, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08, &end
#
# 82 SER HA 84 ASN H 3.87
&rst
ixpk= 0, nxpk= 0, iat=1237,1260, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37, &end
#
# 82 SER HA 84 ASN HND1 3.82
&rst
ixpk= 0, nxpk= 0, iat=1237,1270, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32, &end
#
# 83 PRO HA 85 SER H 5.11
&rst
ixpk= 0, nxpk= 0, iat=1256,1274, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61, &end
#
# 83 PRO HB3 84 ASN H 5.50
&rst
ixpk= 0, nxpk= 0, iat=1254,1260, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 83 PRO HD2 84 ASN H 4.75
&rst
ixpk= 0, nxpk= 0, iat=1247,1260, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25, &end
#
# 83 PRO HD2 84 ASN HND1 5.50
&rst
ixpk= 0, nxpk= 0, iat=1247,1270, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 83 PRO HD3 84 ASN H 4.50
&rst
ixpk= 0, nxpk= 0, iat=1248,1260, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 83 PRO HG2 84 ASN H 4.83
&rst
ixpk= 0, nxpk= 0, iat=1250,1260, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33, &end
#
# 83 PRO HG2 84 ASN HND2 5.32
&rst
ixpk= 0, nxpk= 0, iat=1250,1269, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82, &end
#
# 83 PRO HG3 84 ASN H 4.66
&rst
ixpk= 0, nxpk= 0, iat=1251,1260, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16, &end
#
# 83 PRO HG3 84 ASN HND2 5.24
&rst
ixpk= 0, nxpk= 0, iat=1251,1269, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74, &end
#
# 84 ASN H 84 ASN HB2 3.50
&rst
ixpk= 0, nxpk= 0, iat=1260,1264, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 84 ASN H 84 ASN HB3 3.50
&rst
ixpk= 0, nxpk= 0, iat=1260,1265, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 84 ASN H 84 ASN HND1 4.37
&rst
ixpk= 0, nxpk= 0, iat=1260,1270, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87, &end
#
# 84 ASN H 84 ASN HND2 4.45
&rst
ixpk= 0, nxpk= 0, iat=1260,1269, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95, &end
#
# 84 ASN H 85 SER H 3.24
&rst
ixpk= 0, nxpk= 0, iat=1260,1274, r1= 1.30, r2= 1.80, r3= 3.24, r4= 3.74, &end
#
# 84 ASN HA 84 ASN HB2 3.00
&rst
ixpk= 0, nxpk= 0, iat=1262,1264, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 84 ASN HA 85 SER H 3.46
&rst
ixpk= 0, nxpk= 0, iat=1262,1274, r1= 1.30, r2= 1.80, r3= 3.46, r4= 3.96, &end
#
# 84 ASN HB2 100 PRO HD3 5.50
&rst
ixpk= 0, nxpk= 0, iat=1264,1487, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 84 ASN HB2 100 PRO HG3 5.09
&rst
ixpk= 0, nxpk= 0, iat=1264,1490, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59, &end
#
# 84 ASN HB2 84 ASN HND1 3.87
&rst
ixpk= 0, nxpk= 0, iat=1264,1270, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37, &end
#
# 84 ASN HB2 85 SER H 4.41
&rst
ixpk= 0, nxpk= 0, iat=1264,1274, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91, &end
#
# 84 ASN HB3 84 ASN HND1 3.67
&rst
ixpk= 0, nxpk= 0, iat=1265,1270, r1= 1.30, r2= 1.80, r3= 3.67, r4= 4.17, &end
#
# 84 ASN HB3 85 SER H 4.60
&rst
ixpk= 0, nxpk= 0, iat=1265,1274, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, &end
#
# 85 SER H 85 SER HB2 3.88
&rst
ixpk= 0, nxpk= 0, iat=1274,1278, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38, &end
#
# 85 SER H 85 SER HB3 3.95
&rst
ixpk= 0, nxpk= 0, iat=1274,1279, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45, &end
#
# 85 SER H 86 GLN H 4.45
&rst
ixpk= 0, nxpk= 0, iat=1274,1285, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95, &end
#
# 85 SER H 86 GLN HA 5.19
&rst
ixpk= 0, nxpk= 0, iat=1274,1287, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69, &end
#
# 85 SER HA 100 PRO HD3 3.72
&rst
ixpk= 0, nxpk= 0, iat=1276,1487, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22, &end
#
# 85 SER HA 97 VAL QG1 5.35
&rst
ixpk= 0, nxpk= 0, iat=1276, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2=1442,1443,1444,1446,1447,1448,
&end
#
# 85 SER HA 99 PRO HA 3.50
&rst
ixpk= 0, nxpk= 0, iat=1276,1481, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 85 SER HB2 86 GLN H 3.97
&rst
ixpk= 0, nxpk= 0, iat=1278,1285, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47, &end
#
# 85 SER HB2 97 VAL QG1 3.77
&rst
ixpk= 0, nxpk= 0, iat=1278, -1, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,
igr2=1442,1443,1444,1446,1447,1448,
&end
#
# 85 SER HB2 98 LEU H 5.43
&rst
ixpk= 0, nxpk= 0, iat=1278,1452, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93, &end
#
# 85 SER HB3 86 GLN H 4.19
&rst
ixpk= 0, nxpk= 0, iat=1279,1285, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69, &end
#
# 85 SER HB3 97 VAL QG1 3.98
&rst
ixpk= 0, nxpk= 0, iat=1279, -1, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,
igr2=1442,1443,1444,1446,1447,1448,
&end
#
# 86 GLN H 103 TYR HD 5.17
&rst
ixpk= 0, nxpk= 0, iat=1285, -1, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
igr2=1535,1544,
&end
#
# 86 GLN H 86 GLN HG2 4.90
&rst
ixpk= 0, nxpk= 0, iat=1285,1292, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40, &end
#
# 86 GLN H 97 VAL QG1 4.44
&rst
ixpk= 0, nxpk= 0, iat=1285, -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr2=1442,1443,1444,1446,1447,1448,
&end
#
# 86 GLN H 98 LEU H 4.21
&rst
ixpk= 0, nxpk= 0, iat=1285,1452, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71, &end
#
# 86 GLN HA 86 GLN HNE1 5.50
&rst
ixpk= 0, nxpk= 0, iat=1287,1298, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 86 GLN HB2 103 TYR HD 4.52
&rst
ixpk= 0, nxpk= 0, iat=1289, -1, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,
igr2=1535,1544,
&end
#
# 86 GLN HB2 103 TYR HE 4.72
&rst
ixpk= 0, nxpk= 0, iat=1289, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr2=1537,1542,
&end
#
# 86 GLN HB3 103 TYR HD 4.59
&rst
ixpk= 0, nxpk= 0, iat=1290, -1, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,
igr2=1535,1544,
&end
#
# 86 GLN HB3 103 TYR HE 4.76
&rst
ixpk= 0, nxpk= 0, iat=1290, -1, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
igr2=1537,1542,
&end
#
# 86 GLN HG2 103 TYR HD 4.49
&rst
ixpk= 0, nxpk= 0, iat=1292, -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr2=1535,1544,
&end
#
# 87 ILE H 87 ILE HG12 5.20
&rst
ixpk= 0, nxpk= 0, iat=1302,1312, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70, &end
#
# 87 ILE H 87 ILE HG13 4.78
&rst
ixpk= 0, nxpk= 0, iat=1302,1313, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28, &end
#
# 87 ILE H 87 ILE QD1 4.43
&rst
ixpk= 0, nxpk= 0, iat=1302, -1, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82,
igr2=1315,1316,1317,
&end
#
# 87 ILE H 87 ILE QG2 4.41
&rst
ixpk= 0, nxpk= 0, iat=1302, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr2=1308,1309,1310,
&end
#
# 87 ILE H 88 GLY H 5.15
&rst
ixpk= 0, nxpk= 0, iat=1302,1321, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65, &end
#
# 87 ILE HA 87 ILE QD1 4.30
&rst
ixpk= 0, nxpk= 0, iat=1304, -1, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
igr2=1315,1316,1317,
&end
#
# 87 ILE HA 87 ILE QG2 3.67
&rst
ixpk= 0, nxpk= 0, iat=1304, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr2=1308,1309,1310,
&end
#
# 87 ILE HB 105 TRP HE1 4.64
&rst
ixpk= 0, nxpk= 0, iat=1306,1574, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14, &end
#
# 87 ILE HB 88 GLY H 4.85
&rst
ixpk= 0, nxpk= 0, iat=1306,1321, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35, &end
#
# 87 ILE HG13 97 VAL QG2 5.41
&rst
ixpk= 0, nxpk= 0, iat=1313, -1, r1= 1.30, r2= 1.80, r3= 7.29, r4= 7.79,
igr2=1442,1443,1444,1446,1447,1448,
&end
#
# 87 ILE QD1 88 GLY H 5.25
&rst
ixpk= 0, nxpk= 0, iat= -1,1321, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1=1315,1316,1317,
&end
#
# 87 ILE QD1 97 VAL QG1 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
igr1=1315,1316,1317,
igr2=1442,1443,1444,1446,1447,1448,
&end
#
# 87 ILE QD1 97 VAL QG2 4.56
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.38, r4= 7.88,
igr1=1315,1316,1317,
igr2=1442,1443,1444,1446,1447,1448,
&end
#
# 87 ILE QD1 98 LEU H 4.96
&rst
ixpk= 0, nxpk= 0, iat= -1,1452, r1= 1.30, r2= 1.80, r3= 5.96, r4= 6.46,
igr1=1315,1316,1317,
&end
#
# 87 ILE QG2 105 TRP HZ2 3.90
&rst
ixpk= 0, nxpk= 0, iat= -1,1577, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,
igr1=1308,1309,1310,
&end
#
# 87 ILE QG2 125 TRP HE1 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1880, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1308,1309,1310,
&end
#
# 87 ILE QG2 125 TRP HH2 3.66
&rst
ixpk= 0, nxpk= 0, iat= -1,1885, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,
igr1=1308,1309,1310,
&end
#
# 87 ILE QG2 125 TRP HZ2 3.93
&rst
ixpk= 0, nxpk= 0, iat= -1,1883, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1=1308,1309,1310,
&end
#
# 87 ILE QG2 125 TRP HZ3 5.46
&rst
ixpk= 0, nxpk= 0, iat= -1,1887, r1= 1.30, r2= 1.80, r3= 6.56, r4= 7.06,
igr1=1308,1309,1310,
&end
#
# 87 ILE QG2 87 ILE QD1 3.53
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
igr1=1308,1309,1310,
igr2=1315,1316,1317,
&end
#
# 87 ILE QG2 88 GLY H 3.85
&rst
ixpk= 0, nxpk= 0, iat= -1,1321, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
igr1=1308,1309,1310,
&end
#
# 87 ILE QG2 88 GLY HA3 5.12
&rst
ixpk= 0, nxpk= 0, iat= -1,1324, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65,
igr1=1308,1309,1310,
&end
#
# 87 ILE QG2 95 PRO HA 4.31
&rst
ixpk= 0, nxpk= 0, iat= -1,1416, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68,
igr1=1308,1309,1310,
&end
#
# 87 ILE QG2 95 PRO HB2 3.87
&rst
ixpk= 0, nxpk= 0, iat= -1,1413, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,
igr1=1308,1309,1310,
&end
#
# 87 ILE QG2 95 PRO HG2 4.34
&rst
ixpk= 0, nxpk= 0, iat= -1,1410, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71,
igr1=1308,1309,1310,
&end
#
# 87 ILE QG2 96 VAL H 4.48
&rst
ixpk= 0, nxpk= 0, iat= -1,1420, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88,
igr1=1308,1309,1310,
&end
#
# 87 ILE QG2 96 VAL HA 4.86
&rst
ixpk= 0, nxpk= 0, iat= -1,1422, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
igr1=1308,1309,1310,
&end
#
# 87 ILE QG2 97 VAL QG2 4.17
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.75, r4= 7.25,
igr1=1308,1309,1310,
igr2=1442,1443,1444,1446,1447,1448,
&end
#
# 87 ILE QG2 98 LEU H 5.25
&rst
ixpk= 0, nxpk= 0, iat= -1,1452, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1=1308,1309,1310,
&end
#
# 88 GLY H 103 TYR HD 5.50
&rst
ixpk= 0, nxpk= 0, iat=1321, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1535,1544,
&end
#
# 88 GLY H 105 TRP HZ2 5.33
&rst
ixpk= 0, nxpk= 0, iat=1321,1577, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83, &end
#
# 88 GLY H 89 TRP H 5.34
&rst
ixpk= 0, nxpk= 0, iat=1321,1328, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84, &end
#
# 88 GLY H 95 PRO HB2 5.12
&rst
ixpk= 0, nxpk= 0, iat=1321,1413, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62, &end
#
# 88 GLY H 96 VAL H 4.41
&rst
ixpk= 0, nxpk= 0, iat=1321,1420, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91, &end
#
# 88 GLY H 96 VAL QG2 4.44
&rst
ixpk= 0, nxpk= 0, iat=1321, -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr2=1426,1427,1428,1430,1431,1432,
&end
#
# 88 GLY H 98 LEU H 5.28
&rst
ixpk= 0, nxpk= 0, iat=1321,1452, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78, &end
#
# 88 GLY H 98 LEU QD1 4.22
&rst
ixpk= 0, nxpk= 0, iat=1321, -1, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
igr2=1461,1462,1463,1465,1466,1467,
&end
#
# 88 GLY HA2 105 TRP HH2 5.50
&rst
ixpk= 0, nxpk= 0, iat=1323,1579, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 88 GLY HA2 105 TRP HZ2 3.77
&rst
ixpk= 0, nxpk= 0, iat=1323,1577, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27, &end
#
# 88 GLY HA2 89 TRP HB3 4.79
&rst
ixpk= 0, nxpk= 0, iat=1323,1333, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29, &end
#
# 88 GLY HA2 98 LEU QD1 4.31
&rst
ixpk= 0, nxpk= 0, iat=1323, -1, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31,
igr2=1461,1462,1463,1465,1466,1467,
&end
#
# 88 GLY HA3 105 TRP HE1 5.13
&rst
ixpk= 0, nxpk= 0, iat=1324,1574, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63, &end
#
# 88 GLY HA3 105 TRP HZ2 4.55
&rst
ixpk= 0, nxpk= 0, iat=1324,1577, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05, &end
#
# 88 GLY HA3 98 LEU QD1 3.94
&rst
ixpk= 0, nxpk= 0, iat=1324, -1, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,
igr2=1461,1462,1463,1465,1466,1467,
&end
#
# 89 TRP H 105 TRP HE1 5.28
&rst
ixpk= 0, nxpk= 0, iat=1328,1574, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78, &end
#
# 89 TRP H 105 TRP HH2 5.39
&rst
ixpk= 0, nxpk= 0, iat=1328,1579, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89, &end
#
# 89 TRP H 105 TRP HZ2 4.24
&rst
ixpk= 0, nxpk= 0, iat=1328,1577, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74, &end
#
# 89 TRP H 138 ILE QD1 5.50
&rst
ixpk= 0, nxpk= 0, iat=1328, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=2063,2064,2065,
&end
#
# 89 TRP H 89 TRP HB2 3.90
&rst
ixpk= 0, nxpk= 0, iat=1328,1332, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40, &end
#
# 89 TRP H 89 TRP HB3 3.96
&rst
ixpk= 0, nxpk= 0, iat=1328,1333, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46, &end
#
# 89 TRP H 90 GLY H 4.85
&rst
ixpk= 0, nxpk= 0, iat=1328,1352, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35, &end
#
# 89 TRP H 90 GLY HA2 5.31
&rst
ixpk= 0, nxpk= 0, iat=1328,1354, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81, &end
#
# 89 TRP H 96 VAL QG2 5.42
&rst
ixpk= 0, nxpk= 0, iat=1328, -1, r1= 1.30, r2= 1.80, r3= 7.31, r4= 7.81,
igr2=1426,1427,1428,1430,1431,1432,
&end
#
# 89 TRP H 98 LEU QD1 4.15
&rst
ixpk= 0, nxpk= 0, iat=1328, -1, r1= 1.30, r2= 1.80, r3= 5.59, r4= 6.09,
igr2=1461,1462,1463,1465,1466,1467,
&end
#
# 89 TRP HA 105 TRP HH2 4.38
&rst
ixpk= 0, nxpk= 0, iat=1330,1579, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88, &end
#
# 89 TRP HA 105 TRP HZ2 4.59
&rst
ixpk= 0, nxpk= 0, iat=1330,1577, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09, &end
#
# 89 TRP HA 138 ILE QD1 4.40
&rst
ixpk= 0, nxpk= 0, iat=1330, -1, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
igr2=2063,2064,2065,
&end
#
# 89 TRP HA 89 TRP HD1 3.67
&rst
ixpk= 0, nxpk= 0, iat=1330,1336, r1= 1.30, r2= 1.80, r3= 3.67, r4= 4.17, &end
#
# 89 TRP HA 90 GLY HA3 5.13
&rst
ixpk= 0, nxpk= 0, iat=1330,1355, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63, &end
#
# 89 TRP HA 95 PRO HA 4.27
&rst
ixpk= 0, nxpk= 0, iat=1330,1416, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77, &end
#
# 89 TRP HB2 105 TRP HH2 4.28
&rst
ixpk= 0, nxpk= 0, iat=1332,1579, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78, &end
#
# 89 TRP HB2 105 TRP HZ2 4.84
&rst
ixpk= 0, nxpk= 0, iat=1332,1577, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34, &end
#
# 89 TRP HB2 89 TRP HD1 3.68
&rst
ixpk= 0, nxpk= 0, iat=1332,1336, r1= 1.30, r2= 1.80, r3= 3.68, r4= 4.18, &end
#
# 89 TRP HB2 89 TRP HE3 3.97
&rst
ixpk= 0, nxpk= 0, iat=1332,1347, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47, &end
#
# 89 TRP HB3 105 TRP HH2 4.28
&rst
ixpk= 0, nxpk= 0, iat=1333,1579, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78, &end
#
# 89 TRP HB3 105 TRP HZ2 3.99
&rst
ixpk= 0, nxpk= 0, iat=1333,1577, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49, &end
#
# 89 TRP HB3 123 VAL QG2 5.07
&rst
ixpk= 0, nxpk= 0, iat=1333, -1, r1= 1.30, r2= 1.80, r3= 6.83, r4= 7.33,
igr2=1849,1850,1851,1853,1854,1855,
&end
#
# 89 TRP HB3 138 ILE QD1 5.50
&rst
ixpk= 0, nxpk= 0, iat=1333, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=2063,2064,2065,
&end
#
# 89 TRP HB3 89 TRP HE3 3.67
&rst
ixpk= 0, nxpk= 0, iat=1333,1347, r1= 1.30, r2= 1.80, r3= 3.67, r4= 4.17, &end
#
# 89 TRP HB3 89 TRP HZ3 4.81
&rst
ixpk= 0, nxpk= 0, iat=1333,1345, r1= 1.30, r2= 1.80, r3= 4.81, r4= 5.31, &end
#
# 89 TRP HB3 90 GLY H 4.84
&rst
ixpk= 0, nxpk= 0, iat=1333,1352, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34, &end
#
# 89 TRP HD1 138 ILE HB 3.96
&rst
ixpk= 0, nxpk= 0, iat=1336,2054, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46, &end
#
# 89 TRP HD1 138 ILE QD1 3.41
&rst
ixpk= 0, nxpk= 0, iat=1336, -1, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,
igr2=2063,2064,2065,
&end
#
# 89 TRP HD1 138 ILE QG2 4.20
&rst
ixpk= 0, nxpk= 0, iat=1336, -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr2=2056,2057,2058,
&end
#
# 89 TRP HD1 90 GLY H 3.77
&rst
ixpk= 0, nxpk= 0, iat=1336,1352, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27, &end
#
# 89 TRP HD1 90 GLY HA3 4.92
&rst
ixpk= 0, nxpk= 0, iat=1336,1355, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42, &end
#
# 89 TRP HD1 91 ALA H 5.50
&rst
ixpk= 0, nxpk= 0, iat=1336,1359, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 89 TRP HD1 93 ASN H 3.96
&rst
ixpk= 0, nxpk= 0, iat=1336,1376, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46, &end
#
# 89 TRP HD1 93 ASN HA 3.20
&rst
ixpk= 0, nxpk= 0, iat=1336,1378, r1= 1.30, r2= 1.80, r3= 3.20, r4= 3.70, &end
#
# 89 TRP HD1 94 VAL H 3.83
&rst
ixpk= 0, nxpk= 0, iat=1336,1390, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33, &end
#
# 89 TRP HD1 94 VAL QG1 4.34
&rst
ixpk= 0, nxpk= 0, iat=1336, -1, r1= 1.30, r2= 1.80, r3= 5.85, r4= 6.35,
igr2=1396,1397,1398,1400,1401,1402,
&end
#
# 89 TRP HD1 96 VAL QG2 5.50
&rst
ixpk= 0, nxpk= 0, iat=1336, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2=1426,1427,1428,1430,1431,1432,
&end
#
# 89 TRP HE1 138 ILE HB 4.23
&rst
ixpk= 0, nxpk= 0, iat=1338,2054, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73, &end
#
# 89 TRP HE1 138 ILE QD1 4.39
&rst
ixpk= 0, nxpk= 0, iat=1338, -1, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77,
igr2=2063,2064,2065,
&end
#
# 89 TRP HE1 138 ILE QG2 5.40
&rst
ixpk= 0, nxpk= 0, iat=1338, -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
igr2=2056,2057,2058,
&end
#
# 89 TRP HE1 90 GLY H 5.37
&rst
ixpk= 0, nxpk= 0, iat=1338,1352, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87, &end
#
# 89 TRP HE1 91 ALA HA 5.31
&rst
ixpk= 0, nxpk= 0, iat=1338,1361, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81, &end
#
# 89 TRP HE1 92 GLY H 5.31
&rst
ixpk= 0, nxpk= 0, iat=1338,1369, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81, &end
#
# 89 TRP HE1 93 ASN H 4.00
&rst
ixpk= 0, nxpk= 0, iat=1338,1376, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 89 TRP HE1 93 ASN HA 3.54
&rst
ixpk= 0, nxpk= 0, iat=1338,1378, r1= 1.30, r2= 1.80, r3= 3.54, r4= 4.04, &end
#
# 89 TRP HE1 93 ASN HB2 4.21
&rst
ixpk= 0, nxpk= 0, iat=1338,1380, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71, &end
#
# 89 TRP HE1 93 ASN HB3 5.26
&rst
ixpk= 0, nxpk= 0, iat=1338,1381, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76, &end
#
# 89 TRP HE1 93 ASN HND1 5.50
&rst
ixpk= 0, nxpk= 0, iat=1338,1386, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 89 TRP HE1 93 ASN HND2 4.63
&rst
ixpk= 0, nxpk= 0, iat=1338,1385, r1= 1.30, r2= 1.80, r3= 4.63, r4= 5.13, &end
#
# 89 TRP HE1 94 VAL H 4.25
&rst
ixpk= 0, nxpk= 0, iat=1338,1390, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75, &end
#
# 89 TRP HE1 94 VAL QG1 5.50
&rst
ixpk= 0, nxpk= 0, iat=1338, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2=1396,1397,1398,1400,1401,1402,
&end
#
# 89 TRP HE3 105 TRP HH2 4.15
&rst
ixpk= 0, nxpk= 0, iat=1347,1579, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65, &end
#
# 89 TRP HE3 105 TRP HZ2 4.85
&rst
ixpk= 0, nxpk= 0, iat=1347,1577, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35, &end
#
# 89 TRP HE3 105 TRP HZ3 4.56
&rst
ixpk= 0, nxpk= 0, iat=1347,1581, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06, &end
#
# 89 TRP HE3 118 ASP HA 3.84
&rst
ixpk= 0, nxpk= 0, iat=1347,1766, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34, &end
#
# 89 TRP HE3 118 ASP HB2 4.39
&rst
ixpk= 0, nxpk= 0, iat=1347,1768, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89, &end
#
# 89 TRP HE3 118 ASP HB3 4.60
&rst
ixpk= 0, nxpk= 0, iat=1347,1769, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, &end
#
# 89 TRP HE3 123 VAL QG2 4.34
&rst
ixpk= 0, nxpk= 0, iat=1347, -1, r1= 1.30, r2= 1.80, r3= 5.85, r4= 6.35,
igr2=1849,1850,1851,1853,1854,1855,
&end
#
# 89 TRP HE3 138 ILE QD1 3.94
&rst
ixpk= 0, nxpk= 0, iat=1347, -1, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,
igr2=2063,2064,2065,
&end
#
# 89 TRP HH2 122 THR HB 4.40
&rst
ixpk= 0, nxpk= 0, iat=1343,1833, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90, &end
#
# 89 TRP HH2 123 VAL H 5.50
&rst
ixpk= 0, nxpk= 0, iat=1343,1843, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 89 TRP HH2 123 VAL HB 4.66
&rst
ixpk= 0, nxpk= 0, iat=1343,1847, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16, &end
#
# 89 TRP HH2 123 VAL QG1 3.19
&rst
ixpk= 0, nxpk= 0, iat=1343, -1, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,
igr2=1849,1850,1851,1853,1854,1855,
&end
#
# 89 TRP HH2 123 VAL QG2 3.38
&rst
ixpk= 0, nxpk= 0, iat=1343, -1, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06,
igr2=1849,1850,1851,1853,1854,1855,
&end
#
# 89 TRP HZ2 123 VAL HB 4.88
&rst
ixpk= 0, nxpk= 0, iat=1341,1847, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38, &end
#
# 89 TRP HZ2 123 VAL QG1 3.46
&rst
ixpk= 0, nxpk= 0, iat=1341, -1, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,
igr2=1849,1850,1851,1853,1854,1855,
&end
#
# 89 TRP HZ2 123 VAL QG2 3.65
&rst
ixpk= 0, nxpk= 0, iat=1341, -1, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,
igr2=1849,1850,1851,1853,1854,1855,
&end
#
# 89 TRP HZ2 138 ILE QG2 4.15
&rst
ixpk= 0, nxpk= 0, iat=1341, -1, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48,
igr2=2056,2057,2058,
&end
#
# 89 TRP HZ2 93 ASN HA 4.42
&rst
ixpk= 0, nxpk= 0, iat=1341,1378, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92, &end
#
# 89 TRP HZ3 118 ASP HA 4.51
&rst
ixpk= 0, nxpk= 0, iat=1345,1766, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01, &end
#
# 89 TRP HZ3 118 ASP HB2 3.31
&rst
ixpk= 0, nxpk= 0, iat=1345,1768, r1= 1.30, r2= 1.80, r3= 3.31, r4= 3.81, &end
#
# 89 TRP HZ3 118 ASP HB3 4.14
&rst
ixpk= 0, nxpk= 0, iat=1345,1769, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64, &end
#
# 89 TRP HZ3 123 VAL QG1 3.96
&rst
ixpk= 0, nxpk= 0, iat=1345, -1, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
igr2=1849,1850,1851,1853,1854,1855,
&end
#
# 89 TRP HZ3 123 VAL QG2 3.53
&rst
ixpk= 0, nxpk= 0, iat=1345, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr2=1849,1850,1851,1853,1854,1855,
&end
#
# 89 TRP HZ3 138 ILE QG2 4.49
&rst
ixpk= 0, nxpk= 0, iat=1345, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr2=2056,2057,2058,
&end
#
# 90 GLY H 138 ILE QD1 4.48
&rst
ixpk= 0, nxpk= 0, iat=1352, -1, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88,
igr2=2063,2064,2065,
&end
#
# 90 GLY H 91 ALA H 4.52
&rst
ixpk= 0, nxpk= 0, iat=1352,1359, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02, &end
#
# 90 GLY H 91 ALA QB 5.49
&rst
ixpk= 0, nxpk= 0, iat=1352, -1, r1= 1.30, r2= 1.80, r3= 6.59, r4= 7.09,
igr2=1363,1364,1365,
&end
#
# 90 GLY H 94 VAL H 4.65
&rst
ixpk= 0, nxpk= 0, iat=1352,1390, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15, &end
#
# 90 GLY H 94 VAL QG1 4.61
&rst
ixpk= 0, nxpk= 0, iat=1352, -1, r1= 1.30, r2= 1.80, r3= 6.21, r4= 6.71,
igr2=1396,1397,1398,1400,1401,1402,
&end
#
# 90 GLY H 95 PRO HA 4.69
&rst
ixpk= 0, nxpk= 0, iat=1352,1416, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19, &end
#
# 90 GLY H 96 VAL H 4.40
&rst
ixpk= 0, nxpk= 0, iat=1352,1420, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90, &end
#
# 90 GLY H 96 VAL QG1 4.19
&rst
ixpk= 0, nxpk= 0, iat=1352, -1, r1= 1.30, r2= 1.80, r3= 5.65, r4= 6.15,
igr2=1426,1427,1428,1430,1431,1432,
&end
#
# 90 GLY H 96 VAL QG2 4.08
&rst
ixpk= 0, nxpk= 0, iat=1352, -1, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
igr2=1426,1427,1428,1430,1431,1432,
&end
#
# 90 GLY H 98 LEU QD1 5.45
&rst
ixpk= 0, nxpk= 0, iat=1352, -1, r1= 1.30, r2= 1.80, r3= 7.35, r4= 7.85,
igr2=1461,1462,1463,1465,1466,1467,
&end
#
# 90 GLY HA2 91 ALA HA 5.07
&rst
ixpk= 0, nxpk= 0, iat=1354,1361, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57, &end
#
# 90 GLY HA2 91 ALA QB 5.11
&rst
ixpk= 0, nxpk= 0, iat=1354, -1, r1= 1.30, r2= 1.80, r3= 6.14, r4= 6.64,
igr2=1363,1364,1365,
&end
#
# 90 GLY HA3 91 ALA QB 5.29
&rst
ixpk= 0, nxpk= 0, iat=1355, -1, r1= 1.30, r2= 1.80, r3= 6.35, r4= 6.85,
igr2=1363,1364,1365,
&end
#
# 90 GLY HA3 96 VAL QG2 4.04
&rst
ixpk= 0, nxpk= 0, iat=1355, -1, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95,
igr2=1426,1427,1428,1430,1431,1432,
&end
#
# 90 GLY HA3 98 LEU QD1 4.47
&rst
ixpk= 0, nxpk= 0, iat=1355, -1, r1= 1.30, r2= 1.80, r3= 6.03, r4= 6.53,
igr2=1461,1462,1463,1465,1466,1467,
&end
#
# 91 ALA H 91 ALA QB 3.16
&rst
ixpk= 0, nxpk= 0, iat=1359, -1, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29,
igr2=1363,1364,1365,
&end
#
# 91 ALA H 92 GLY H 4.76
&rst
ixpk= 0, nxpk= 0, iat=1359,1369, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26, &end
#
# 91 ALA H 96 VAL QG1 4.74
&rst
ixpk= 0, nxpk= 0, iat=1359, -1, r1= 1.30, r2= 1.80, r3= 6.39, r4= 6.89,
igr2=1426,1427,1428,1430,1431,1432,
&end
#
# 91 ALA H 96 VAL QG2 4.54
&rst
ixpk= 0, nxpk= 0, iat=1359, -1, r1= 1.30, r2= 1.80, r3= 6.12, r4= 6.62,
igr2=1426,1427,1428,1430,1431,1432,
&end
#
# 91 ALA HA 92 GLY H 3.43
&rst
ixpk= 0, nxpk= 0, iat=1361,1369, r1= 1.30, r2= 1.80, r3= 3.43, r4= 3.93, &end
#
# 91 ALA HA 93 ASN H 3.87
&rst
ixpk= 0, nxpk= 0, iat=1361,1376, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37, &end
#
# 91 ALA QB 92 GLY H 3.63
&rst
ixpk= 0, nxpk= 0, iat= -1,1369, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86,
igr1=1363,1364,1365,
&end
#
# 91 ALA QB 92 GLY HA2 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1371, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1363,1364,1365,
&end
#
# 91 ALA QB 92 GLY HA3 5.07
&rst
ixpk= 0, nxpk= 0, iat= -1,1372, r1= 1.30, r2= 1.80, r3= 6.09, r4= 6.59,
igr1=1363,1364,1365,
&end
#
# 91 ALA QB 93 ASN H 4.58
&rst
ixpk= 0, nxpk= 0, iat= -1,1376, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
igr1=1363,1364,1365,
&end
#
# 92 GLY H 93 ASN H 4.14
&rst
ixpk= 0, nxpk= 0, iat=1369,1376, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64, &end
#
# 92 GLY H 94 VAL H 5.21
&rst
ixpk= 0, nxpk= 0, iat=1369,1390, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71, &end
#
# 92 GLY H 94 VAL QG1 5.38
&rst
ixpk= 0, nxpk= 0, iat=1369, -1, r1= 1.30, r2= 1.80, r3= 7.25, r4= 7.75,
igr2=1396,1397,1398,1400,1401,1402,
&end
#
# 93 ASN H 138 ILE QD1 4.85
&rst
ixpk= 0, nxpk= 0, iat=1376, -1, r1= 1.30, r2= 1.80, r3= 5.82, r4= 6.32,
igr2=2063,2064,2065,
&end
#
# 93 ASN H 93 ASN HND1 5.44
&rst
ixpk= 0, nxpk= 0, iat=1376,1386, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94, &end
#
# 93 ASN H 93 ASN HND2 5.50
&rst
ixpk= 0, nxpk= 0, iat=1376,1385, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 93 ASN H 94 VAL H 3.79
&rst
ixpk= 0, nxpk= 0, iat=1376,1390, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29, &end
#
# 93 ASN H 94 VAL QG1 4.62
&rst
ixpk= 0, nxpk= 0, iat=1376, -1, r1= 1.30, r2= 1.80, r3= 6.23, r4= 6.73,
igr2=1396,1397,1398,1400,1401,1402,
&end
#
# 93 ASN HA 138 ILE QD1 3.78
&rst
ixpk= 0, nxpk= 0, iat=1378, -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
igr2=2063,2064,2065,
&end
#
# 93 ASN HA 93 ASN HND1 5.50
&rst
ixpk= 0, nxpk= 0, iat=1378,1386, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 93 ASN HA 93 ASN HND2 5.41
&rst
ixpk= 0, nxpk= 0, iat=1378,1385, r1= 1.30, r2= 1.80, r3= 5.41, r4= 5.91, &end
#
# 93 ASN HB2 138 ILE H 5.30
&rst
ixpk= 0, nxpk= 0, iat=1380,2050, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, &end
#
# 93 ASN HB2 138 ILE HB 4.56
&rst
ixpk= 0, nxpk= 0, iat=1380,2054, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06, &end
#
# 93 ASN HB2 138 ILE QD1 5.15
&rst
ixpk= 0, nxpk= 0, iat=1380, -1, r1= 1.30, r2= 1.80, r3= 6.18, r4= 6.68,
igr2=2063,2064,2065,
&end
#
# 93 ASN HB2 138 ILE QG2 4.81
&rst
ixpk= 0, nxpk= 0, iat=1380, -1, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28,
igr2=2056,2057,2058,
&end
#
# 93 ASN HB3 138 ILE HB 4.70
&rst
ixpk= 0, nxpk= 0, iat=1381,2054, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, &end
#
# 93 ASN HB3 138 ILE QD1 5.43
&rst
ixpk= 0, nxpk= 0, iat=1381, -1, r1= 1.30, r2= 1.80, r3= 6.52, r4= 7.02,
igr2=2063,2064,2065,
&end
#
# 93 ASN HB3 93 ASN HND1 3.95
&rst
ixpk= 0, nxpk= 0, iat=1381,1386, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45, &end
#
# 93 ASN HB3 93 ASN HND2 4.02
&rst
ixpk= 0, nxpk= 0, iat=1381,1385, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52, &end
#
# 93 ASN HND1 138 ILE HB 5.22
&rst
ixpk= 0, nxpk= 0, iat=1386,2054, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72, &end
#
# 94 VAL H 138 ILE QD1 4.34
&rst
ixpk= 0, nxpk= 0, iat=1390, -1, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71,
igr2=2063,2064,2065,
&end
#
# 94 VAL H 94 VAL QG1 3.47
&rst
ixpk= 0, nxpk= 0, iat=1390, -1, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,
igr2=1396,1397,1398,1400,1401,1402,
&end
#
# 94 VAL H 94 VAL QG2 3.96
&rst
ixpk= 0, nxpk= 0, iat=1390, -1, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
igr2=1396,1397,1398,1400,1401,1402,
&end
#
# 94 VAL H 96 VAL QG1 5.50
&rst
ixpk= 0, nxpk= 0, iat=1390, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2=1426,1427,1428,1430,1431,1432,
&end
#
# 94 VAL H 96 VAL QG2 5.01
&rst
ixpk= 0, nxpk= 0, iat=1390, -1, r1= 1.30, r2= 1.80, r3= 6.75, r4= 7.25,
igr2=1426,1427,1428,1430,1431,1432,
&end
#
# 94 VAL HA 138 ILE H 4.97
&rst
ixpk= 0, nxpk= 0, iat=1392,2050, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47, &end
#
# 94 VAL HA 138 ILE QD1 4.81
&rst
ixpk= 0, nxpk= 0, iat=1392, -1, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28,
igr2=2063,2064,2065,
&end
#
# 94 VAL HA 94 VAL QG1 4.02
&rst
ixpk= 0, nxpk= 0, iat=1392, -1, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,
igr2=1396,1397,1398,1400,1401,1402,
&end
#
# 94 VAL HA 94 VAL QG2 3.45
&rst
ixpk= 0, nxpk= 0, iat=1392, -1, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,
igr2=1396,1397,1398,1400,1401,1402,
&end
#
# 94 VAL HB 138 ILE H 5.43
&rst
ixpk= 0, nxpk= 0, iat=1394,2050, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93, &end
#
# 94 VAL HB 138 ILE QD1 4.90
&rst
ixpk= 0, nxpk= 0, iat=1394, -1, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
igr2=2063,2064,2065,
&end
#
# 94 VAL HB 95 PRO HD2 5.50
&rst
ixpk= 0, nxpk= 0, iat=1394,1407, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 94 VAL HB 95 PRO HD3 4.50
&rst
ixpk= 0, nxpk= 0, iat=1394,1408, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 94 VAL QG1 138 ILE QD1 4.86
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.87, r4= 8.37,
igr1=1396,1397,1398,1400,1401,1402,
igr2=2063,2064,2065,
&end
#
# 94 VAL QG1 95 PRO HA 4.42
&rst
ixpk= 0, nxpk= 0, iat= -1,1416, r1= 1.30, r2= 1.80, r3= 5.96, r4= 6.46,
igr1=1396,1397,1398,1400,1401,1402,
&end
#
# 94 VAL QG1 95 PRO HD3 4.47
&rst
ixpk= 0, nxpk= 0, iat= -1,1408, r1= 1.30, r2= 1.80, r3= 6.03, r4= 6.53,
igr1=1396,1397,1398,1400,1401,1402,
&end
#
# 94 VAL QG2 135 GLU HB3 3.60
&rst
ixpk= 0, nxpk= 0, iat= -1,2013, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
igr1=1396,1397,1398,1400,1401,1402,
&end
#
# 94 VAL QG2 137 SER HA 3.99
&rst
ixpk= 0, nxpk= 0, iat= -1,2041, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88,
igr1=1396,1397,1398,1400,1401,1402,
&end
#
# 94 VAL QG2 138 ILE H 5.05
&rst
ixpk= 0, nxpk= 0, iat= -1,2050, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=1396,1397,1398,1400,1401,1402,
&end
#
# 94 VAL QG2 138 ILE QD1 4.76
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.71, r4= 8.21,
igr1=1396,1397,1398,1400,1401,1402,
igr2=2063,2064,2065,
&end
#
# 94 VAL QG2 95 PRO HD2 4.31
&rst
ixpk= 0, nxpk= 0, iat= -1,1407, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31,
igr1=1396,1397,1398,1400,1401,1402,
&end
#
# 94 VAL QG2 95 PRO HD3 4.22
&rst
ixpk= 0, nxpk= 0, iat= -1,1408, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
igr1=1396,1397,1398,1400,1401,1402,
&end
#
# 94 VAL QG2 96 VAL QG1 4.25
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.72, r4= 8.22,
igr1=1396,1397,1398,1400,1401,1402,
igr2=1426,1427,1428,1430,1431,1432,
&end
#
# 95 PRO HA 138 ILE QD1 5.21
&rst
ixpk= 0, nxpk= 0, iat=1416, -1, r1= 1.30, r2= 1.80, r3= 6.26, r4= 6.76,
igr2=2063,2064,2065,
&end
#
# 95 PRO HA 96 VAL HA 4.96
&rst
ixpk= 0, nxpk= 0, iat=1416,1422, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46, &end
#
# 95 PRO HA 96 VAL QQG 3.98
&rst
ixpk= 0, nxpk= 0, iat=1416, -1, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,
igr2=1426,1427,1428,1430,1431,1432,
&end
#
# 95 PRO HB3 138 ILE QD1 3.86
&rst
ixpk= 0, nxpk= 0, iat=1414, -1, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,
igr2=2063,2064,2065,
&end
#
# 95 PRO HD2 136 VAL QG2 5.47
&rst
ixpk= 0, nxpk= 0, iat=1407, -1, r1= 1.30, r2= 1.80, r3= 7.37, r4= 7.87,
igr2=2029,2030,2031,2033,2034,2035,
&end
#
# 95 PRO HD2 137 SER HA 5.15
&rst
ixpk= 0, nxpk= 0, iat=1407,2041, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65, &end
#
# 95 PRO HD2 138 ILE QD1 4.99
&rst
ixpk= 0, nxpk= 0, iat=1407, -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr2=2063,2064,2065,
&end
#
# 95 PRO HD3 136 VAL QG2 5.50
&rst
ixpk= 0, nxpk= 0, iat=1408, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2=2029,2030,2031,2033,2034,2035,
&end
#
# 95 PRO HD3 138 ILE HG12 5.50
&rst
ixpk= 0, nxpk= 0, iat=1408,2060, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 95 PRO HD3 138 ILE QD1 4.57
&rst
ixpk= 0, nxpk= 0, iat=1408, -1, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99,
igr2=2063,2064,2065,
&end
#
# 95 PRO HG2 136 VAL HB 5.09
&rst
ixpk= 0, nxpk= 0, iat=1410,2027, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59, &end
#
# 95 PRO HG2 96 VAL QG1 5.50
&rst
ixpk= 0, nxpk= 0, iat=1410, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2=1426,1427,1428,1430,1431,1432,
&end
#
# 95 PRO HG3 136 VAL QG2 4.45
&rst
ixpk= 0, nxpk= 0, iat=1411, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr2=2029,2030,2031,2033,2034,2035,
&end
#
# 96 VAL H 138 ILE QD1 5.00
&rst
ixpk= 0, nxpk= 0, iat=1420, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr2=2063,2064,2065,
&end
#
# 96 VAL H 96 VAL QG2 3.70
&rst
ixpk= 0, nxpk= 0, iat=1420, -1, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49,
igr2=1426,1427,1428,1430,1431,1432,
&end
#
# 96 VAL HA 96 VAL QG1 3.98
&rst
ixpk= 0, nxpk= 0, iat=1422, -1, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,
igr2=1426,1427,1428,1430,1431,1432,
&end
#
# 96 VAL HA 96 VAL QQG 5.62
&rst
ixpk= 0, nxpk= 0, iat=1422, -1, r1= 1.30, r2= 1.80, r3= 7.58, r4= 8.08,
igr2=1426,1427,1428,1430,1431,1432,
&end
#
# 96 VAL HB 97 VAL H 4.57
&rst
ixpk= 0, nxpk= 0, iat=1424,1436, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07, &end
#
# 96 VAL HB 98 LEU QD2 5.31
&rst
ixpk= 0, nxpk= 0, iat=1424, -1, r1= 1.30, r2= 1.80, r3= 7.16, r4= 7.66,
igr2=1461,1462,1463,1465,1466,1467,
&end
#
# 96 VAL QG2 138 ILE QD1 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
igr1=1426,1427,1428,1430,1431,1432,
igr2=2063,2064,2065,
&end
#
# 96 VAL QG2 97 VAL H 5.23
&rst
ixpk= 0, nxpk= 0, iat= -1,1436, r1= 1.30, r2= 1.80, r3= 7.05, r4= 7.55,
igr1=1426,1427,1428,1430,1431,1432,
&end
#
# 96 VAL QG2 98 LEU HG 3.91
&rst
ixpk= 0, nxpk= 0, iat= -1,1459, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77,
igr1=1426,1427,1428,1430,1431,1432,
&end
#
# 96 VAL QG2 98 LEU QD2 3.34
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1426,1427,1428,1430,1431,1432,
igr2=1461,1462,1463,1465,1466,1467,
&end
#
# 97 VAL H 97 VAL QG1 5.02
&rst
ixpk= 0, nxpk= 0, iat=1436, -1, r1= 1.30, r2= 1.80, r3= 6.77, r4= 7.27,
igr2=1442,1443,1444,1446,1447,1448,
&end
#
# 97 VAL H 97 VAL QG2 4.16
&rst
ixpk= 0, nxpk= 0, iat=1436, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2=1442,1443,1444,1446,1447,1448,
&end
#
# 97 VAL H 98 LEU H 5.50
&rst
ixpk= 0, nxpk= 0, iat=1436,1452, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 97 VAL H 98 LEU QD2 5.32
&rst
ixpk= 0, nxpk= 0, iat=1436, -1, r1= 1.30, r2= 1.80, r3= 7.17, r4= 7.67,
igr2=1461,1462,1463,1465,1466,1467,
&end
#
# 97 VAL HA 97 VAL QG1 3.28
&rst
ixpk= 0, nxpk= 0, iat=1438, -1, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92,
igr2=1442,1443,1444,1446,1447,1448,
&end
#
# 97 VAL HA 97 VAL QG2 3.36
&rst
ixpk= 0, nxpk= 0, iat=1438, -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
igr2=1442,1443,1444,1446,1447,1448,
&end
#
# 97 VAL HA 98 LEU QD2 4.12
&rst
ixpk= 0, nxpk= 0, iat=1438, -1, r1= 1.30, r2= 1.80, r3= 5.55, r4= 6.05,
igr2=1461,1462,1463,1465,1466,1467,
&end
#
# 97 VAL QG1 98 LEU H 4.21
&rst
ixpk= 0, nxpk= 0, iat= -1,1452, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18,
igr1=1442,1443,1444,1446,1447,1448,
&end
#
# 97 VAL QG1 98 LEU HA 4.54
&rst
ixpk= 0, nxpk= 0, iat= -1,1454, r1= 1.30, r2= 1.80, r3= 6.12, r4= 6.62,
igr1=1442,1443,1444,1446,1447,1448,
&end
#
# 97 VAL QG2 98 LEU H 4.51
&rst
ixpk= 0, nxpk= 0, iat= -1,1452, r1= 1.30, r2= 1.80, r3= 6.08, r4= 6.58,
igr1=1442,1443,1444,1446,1447,1448,
&end
#
# 98 LEU H 103 TYR HE 5.39
&rst
ixpk= 0, nxpk= 0, iat=1452, -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
igr2=1537,1542,
&end
#
# 98 LEU H 98 LEU HG 5.00
&rst
ixpk= 0, nxpk= 0, iat=1452,1459, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 98 LEU H 98 LEU QD1 4.43
&rst
ixpk= 0, nxpk= 0, iat=1452, -1, r1= 1.30, r2= 1.80, r3= 5.97, r4= 6.47,
igr2=1461,1462,1463,1465,1466,1467,
&end
#
# 98 LEU H 98 LEU QD2 4.64
&rst
ixpk= 0, nxpk= 0, iat=1452, -1, r1= 1.30, r2= 1.80, r3= 6.25, r4= 6.75,
igr2=1461,1462,1463,1465,1466,1467,
&end
#
# 98 LEU H 99 PRO HD3 5.19
&rst
ixpk= 0, nxpk= 0, iat=1452,1473, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69, &end
#
# 98 LEU HA 103 TYR HE 4.93
&rst
ixpk= 0, nxpk= 0, iat=1454, -1, r1= 1.30, r2= 1.80, r3= 5.53, r4= 6.03,
igr2=1537,1542,
&end
#
# 98 LEU HA 98 LEU QD1 4.44
&rst
ixpk= 0, nxpk= 0, iat=1454, -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr2=1461,1462,1463,1465,1466,1467,
&end
#
# 98 LEU HA 98 LEU QD2 3.64
&rst
ixpk= 0, nxpk= 0, iat=1454, -1, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,
igr2=1461,1462,1463,1465,1466,1467,
&end
#
# 98 LEU HA 99 PRO HB3 5.19
&rst
ixpk= 0, nxpk= 0, iat=1454,1479, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69, &end
#
# 98 LEU HA 99 PRO HG2 4.94
&rst
ixpk= 0, nxpk= 0, iat=1454,1475, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44, &end
#
# 98 LEU HB2 103 TYR HD 4.20
&rst
ixpk= 0, nxpk= 0, iat=1456, -1, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
igr2=1535,1544,
&end
#
# 98 LEU HB2 103 TYR HE 4.47
&rst
ixpk= 0, nxpk= 0, iat=1456, -1, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52,
igr2=1537,1542,
&end
#
# 98 LEU HB2 98 LEU QD1 3.86
&rst
ixpk= 0, nxpk= 0, iat=1456, -1, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,
igr2=1461,1462,1463,1465,1466,1467,
&end
#
# 98 LEU HB2 98 LEU QD2 4.11
&rst
ixpk= 0, nxpk= 0, iat=1456, -1, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,
igr2=1461,1462,1463,1465,1466,1467,
&end
#
# 98 LEU HB3 103 TYR HE 3.93
&rst
ixpk= 0, nxpk= 0, iat=1457, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr2=1537,1542,
&end
#
# 98 LEU HB3 98 LEU QD1 3.56
&rst
ixpk= 0, nxpk= 0, iat=1457, -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr2=1461,1462,1463,1465,1466,1467,
&end
#
# 98 LEU HB3 98 LEU QD2 3.26
&rst
ixpk= 0, nxpk= 0, iat=1457, -1, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89,
igr2=1461,1462,1463,1465,1466,1467,
&end
#
# 98 LEU HG 99 PRO HD3 5.19
&rst
ixpk= 0, nxpk= 0, iat=1459,1473, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69, &end
#
# 98 LEU QD1 103 TYR HD 4.36
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,
igr1=1461,1462,1463,1465,1466,1467,
igr2=1535,1544,
&end
#
# 98 LEU QD1 103 TYR HE 3.29
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48,
igr1=1461,1462,1463,1465,1466,1467,
igr2=1537,1542,
&end
#
# 98 LEU QD1 99 PRO HD3 4.25
&rst
ixpk= 0, nxpk= 0, iat= -1,1473, r1= 1.30, r2= 1.80, r3= 5.73, r4= 6.23,
igr1=1461,1462,1463,1465,1466,1467,
&end
#
# 98 LEU QD2 103 TYR HD 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1461,1462,1463,1465,1466,1467,
igr2=1535,1544,
&end
#
# 98 LEU QD2 103 TYR HE 4.59
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.95, r4= 7.45,
igr1=1461,1462,1463,1465,1466,1467,
igr2=1537,1542,
&end
#
# 98 LEU QD2 99 PRO HD2 5.12
&rst
ixpk= 0, nxpk= 0, iat= -1,1472, r1= 1.30, r2= 1.80, r3= 6.90, r4= 7.40,
igr1=1461,1462,1463,1465,1466,1467,
&end
#
# 98 LEU QD2 99 PRO HD3 3.72
&rst
ixpk= 0, nxpk= 0, iat= -1,1473, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51,
igr1=1461,1462,1463,1465,1466,1467,
&end
#
# 99 PRO HA 100 PRO HG3 5.39
&rst
ixpk= 0, nxpk= 0, iat=1481,1490, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89, &end
#
# 99 PRO HB2 100 PRO HD2 4.24
&rst
ixpk= 0, nxpk= 0, iat=1478,1486, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74, &end
#
# 99 PRO HD2 103 TYR HE 4.78
&rst
ixpk= 0, nxpk= 0, iat=1472, -1, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,
igr2=1537,1542,
&end
#
# 99 PRO HD3 103 TYR HE 4.61
&rst
ixpk= 0, nxpk= 0, iat=1473, -1, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67,
igr2=1537,1542,
&end
#
# 100 PRO HA 103 TYR H 5.09
&rst
ixpk= 0, nxpk= 0, iat=1495,1527, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59, &end
#
# 100 PRO HA 103 TYR HD 4.47
&rst
ixpk= 0, nxpk= 0, iat=1495, -1, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52,
igr2=1535,1544,
&end
#
# 100 PRO HA 103 TYR HE 4.54
&rst
ixpk= 0, nxpk= 0, iat=1495, -1, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
igr2=1537,1542,
&end
#
# 100 PRO HD3 101 ASN H 5.50
&rst
ixpk= 0, nxpk= 0, iat=1487,1499, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 101 ASN H 101 ASN HB2 4.06
&rst
ixpk= 0, nxpk= 0, iat=1499,1503, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56, &end
#
# 101 ASN H 101 ASN HB3 4.16
&rst
ixpk= 0, nxpk= 0, iat=1499,1504, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66, &end
#
# 101 ASN H 102 ASN H 3.80
&rst
ixpk= 0, nxpk= 0, iat=1499,1513, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end
#
# 101 ASN H 103 TYR H 4.13
&rst
ixpk= 0, nxpk= 0, iat=1499,1527, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63, &end
#
# 101 ASN H 103 TYR HE 4.38
&rst
ixpk= 0, nxpk= 0, iat=1499, -1, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,
igr2=1537,1542,
&end
#
# 101 ASN HA 101 ASN HND1 5.32
&rst
ixpk= 0, nxpk= 0, iat=1501,1509, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82, &end
#
# 101 ASN HA 102 ASN H 3.50
&rst
ixpk= 0, nxpk= 0, iat=1501,1513, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 101 ASN HA 103 TYR HE 5.34
&rst
ixpk= 0, nxpk= 0, iat=1501, -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr2=1537,1542,
&end
#
# 101 ASN HB2 102 ASN H 4.94
&rst
ixpk= 0, nxpk= 0, iat=1503,1513, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44, &end
#
# 101 ASN HB2 103 TYR HE 3.63
&rst
ixpk= 0, nxpk= 0, iat=1503, -1, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57,
igr2=1537,1542,
&end
#
# 101 ASN HB3 101 ASN HND1 4.04
&rst
ixpk= 0, nxpk= 0, iat=1504,1509, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54, &end
#
# 101 ASN HB3 101 ASN HND2 4.04
&rst
ixpk= 0, nxpk= 0, iat=1504,1508, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54, &end
#
# 101 ASN HB3 102 ASN H 5.11
&rst
ixpk= 0, nxpk= 0, iat=1504,1513, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61, &end
#
# 101 ASN HB3 103 TYR HD 4.61
&rst
ixpk= 0, nxpk= 0, iat=1504, -1, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67,
igr2=1535,1544,
&end
#
# 101 ASN HB3 103 TYR HE 3.59
&rst
ixpk= 0, nxpk= 0, iat=1504, -1, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53,
igr2=1537,1542,
&end
#
# 101 ASN HND1 103 TYR HE 4.70
&rst
ixpk= 0, nxpk= 0, iat=1509, -1, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
igr2=1537,1542,
&end
#
# 102 ASN H 102 ASN HB3 3.90
&rst
ixpk= 0, nxpk= 0, iat=1513,1518, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40, &end
#
# 102 ASN H 102 ASN HND1 5.04
&rst
ixpk= 0, nxpk= 0, iat=1513,1523, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54, &end
#
# 102 ASN H 102 ASN HND2 4.82
&rst
ixpk= 0, nxpk= 0, iat=1513,1522, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32, &end
#
# 102 ASN H 103 TYR H 3.71
&rst
ixpk= 0, nxpk= 0, iat=1513,1527, r1= 1.30, r2= 1.80, r3= 3.71, r4= 4.21, &end
#
# 102 ASN H 103 TYR HD 4.26
&rst
ixpk= 0, nxpk= 0, iat=1513, -1, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28,
igr2=1535,1544,
&end
#
# 102 ASN H 103 TYR HE 4.50
&rst
ixpk= 0, nxpk= 0, iat=1513, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1537,1542,
&end
#
# 102 ASN H 104 VAL QG2 5.50
&rst
ixpk= 0, nxpk= 0, iat=1513, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2=1554,1555,1556,1558,1559,1560,
&end
#
# 102 ASN HA 102 ASN HB2 3.00
&rst
ixpk= 0, nxpk= 0, iat=1515,1517, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 102 ASN HA 102 ASN HB3 3.02
&rst
ixpk= 0, nxpk= 0, iat=1515,1518, r1= 1.30, r2= 1.80, r3= 3.02, r4= 3.52, &end
#
# 102 ASN HA 102 ASN HND1 4.77
&rst
ixpk= 0, nxpk= 0, iat=1515,1523, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27, &end
#
# 102 ASN HA 102 ASN HND2 5.36
&rst
ixpk= 0, nxpk= 0, iat=1515,1522, r1= 1.30, r2= 1.80, r3= 5.36, r4= 5.86, &end
#
# 102 ASN HA 103 TYR H 3.52
&rst
ixpk= 0, nxpk= 0, iat=1515,1527, r1= 1.30, r2= 1.80, r3= 3.52, r4= 4.02, &end
#
# 102 ASN HA 103 TYR HA 4.83
&rst
ixpk= 0, nxpk= 0, iat=1515,1529, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33, &end
#
# 102 ASN HA 104 VAL QG1 5.50
&rst
ixpk= 0, nxpk= 0, iat=1515, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2=1554,1555,1556,1558,1559,1560,
&end
#
# 102 ASN HA 104 VAL QG2 4.00
&rst
ixpk= 0, nxpk= 0, iat=1515, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr2=1554,1555,1556,1558,1559,1560,
&end
#
# 102 ASN HB2 102 ASN HND1 3.47
&rst
ixpk= 0, nxpk= 0, iat=1517,1523, r1= 1.30, r2= 1.80, r3= 3.47, r4= 3.97, &end
#
# 102 ASN HB2 102 ASN HND2 3.59
&rst
ixpk= 0, nxpk= 0, iat=1517,1522, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09, &end
#
# 102 ASN HB2 103 TYR H 4.86
&rst
ixpk= 0, nxpk= 0, iat=1517,1527, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36, &end
#
# 102 ASN HB2 104 VAL QG2 5.39
&rst
ixpk= 0, nxpk= 0, iat=1517, -1, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
igr2=1554,1555,1556,1558,1559,1560,
&end
#
# 102 ASN HB3 102 ASN HND1 3.64
&rst
ixpk= 0, nxpk= 0, iat=1518,1523, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14, &end
#
# 102 ASN HB3 103 TYR H 4.82
&rst
ixpk= 0, nxpk= 0, iat=1518,1527, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32, &end
#
# 102 ASN HB3 104 VAL QG2 5.34
&rst
ixpk= 0, nxpk= 0, iat=1518, -1, r1= 1.30, r2= 1.80, r3= 7.20, r4= 7.70,
igr2=1554,1555,1556,1558,1559,1560,
&end
#
# 103 TYR H 103 TYR HB2 4.05
&rst
ixpk= 0, nxpk= 0, iat=1527,1531, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55, &end
#
# 103 TYR H 103 TYR HB3 3.97
&rst
ixpk= 0, nxpk= 0, iat=1527,1532, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47, &end
#
# 103 TYR H 103 TYR HD 3.65
&rst
ixpk= 0, nxpk= 0, iat=1527, -1, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,
igr2=1535,1544,
&end
#
# 103 TYR H 103 TYR HE 4.47
&rst
ixpk= 0, nxpk= 0, iat=1527, -1, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52,
igr2=1537,1542,
&end
#
# 103 TYR H 104 VAL H 5.02
&rst
ixpk= 0, nxpk= 0, iat=1527,1548, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52, &end
#
# 103 TYR H 104 VAL QG2 4.94
&rst
ixpk= 0, nxpk= 0, iat=1527, -1, r1= 1.30, r2= 1.80, r3= 6.66, r4= 7.16,
igr2=1554,1555,1556,1558,1559,1560,
&end
#
# 103 TYR HA 103 TYR HD 3.32
&rst
ixpk= 0, nxpk= 0, iat=1529, -1, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23,
igr2=1535,1544,
&end
#
# 103 TYR HA 103 TYR HE 5.31
&rst
ixpk= 0, nxpk= 0, iat=1529, -1, r1= 1.30, r2= 1.80, r3= 5.96, r4= 6.46,
igr2=1537,1542,
&end
#
# 103 TYR HA 104 VAL H 3.47
&rst
ixpk= 0, nxpk= 0, iat=1529,1548, r1= 1.30, r2= 1.80, r3= 3.47, r4= 3.97, &end
#
# 103 TYR HA 104 VAL QG1 4.22
&rst
ixpk= 0, nxpk= 0, iat=1529, -1, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
igr2=1554,1555,1556,1558,1559,1560,
&end
#
# 103 TYR HA 104 VAL QG2 5.12
&rst
ixpk= 0, nxpk= 0, iat=1529, -1, r1= 1.30, r2= 1.80, r3= 6.90, r4= 7.40,
igr2=1554,1555,1556,1558,1559,1560,
&end
#
# 103 TYR HB2 104 VAL H 4.47
&rst
ixpk= 0, nxpk= 0, iat=1531,1548, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97, &end
#
# 103 TYR HB3 104 VAL H 5.17
&rst
ixpk= 0, nxpk= 0, iat=1532,1548, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67, &end
#
# 104 VAL H 104 VAL QG1 3.41
&rst
ixpk= 0, nxpk= 0, iat=1548, -1, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
igr2=1554,1555,1556,1558,1559,1560,
&end
#
# 104 VAL H 104 VAL QG2 4.15
&rst
ixpk= 0, nxpk= 0, iat=1548, -1, r1= 1.30, r2= 1.80, r3= 5.59, r4= 6.09,
igr2=1554,1555,1556,1558,1559,1560,
&end
#
# 104 VAL H 105 TRP H 5.28
&rst
ixpk= 0, nxpk= 0, iat=1548,1564, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78, &end
#
# 104 VAL HA 104 VAL QG1 3.59
&rst
ixpk= 0, nxpk= 0, iat=1550, -1, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,
igr2=1554,1555,1556,1558,1559,1560,
&end
#
# 104 VAL HA 104 VAL QG2 3.43
&rst
ixpk= 0, nxpk= 0, iat=1550, -1, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
igr2=1554,1555,1556,1558,1559,1560,
&end
#
# 104 VAL HB 105 TRP H 4.10
&rst
ixpk= 0, nxpk= 0, iat=1552,1564, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60, &end
#
# 104 VAL QG1 105 TRP H 3.84
&rst
ixpk= 0, nxpk= 0, iat= -1,1564, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68,
igr1=1554,1555,1556,1558,1559,1560,
&end
#
# 104 VAL QG1 105 TRP HA 5.20
&rst
ixpk= 0, nxpk= 0, iat= -1,1566, r1= 1.30, r2= 1.80, r3= 7.01, r4= 7.51,
igr1=1554,1555,1556,1558,1559,1560,
&end
#
# 104 VAL QG1 106 THR HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1590, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1554,1555,1556,1558,1559,1560,
&end
#
# 104 VAL QG2 105 TRP H 4.06
&rst
ixpk= 0, nxpk= 0, iat= -1,1564, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
igr1=1554,1555,1556,1558,1559,1560,
&end
#
# 104 VAL QG2 105 TRP HD1 5.11
&rst
ixpk= 0, nxpk= 0, iat= -1,1572, r1= 1.30, r2= 1.80, r3= 6.89, r4= 7.39,
igr1=1554,1555,1556,1558,1559,1560,
&end
#
# 105 TRP H 105 TRP HD1 3.98
&rst
ixpk= 0, nxpk= 0, iat=1564,1572, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48, &end
#
# 105 TRP H 105 TRP HE1 5.20
&rst
ixpk= 0, nxpk= 0, iat=1564,1574, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70, &end
#
# 105 TRP H 106 THR H 4.82
&rst
ixpk= 0, nxpk= 0, iat=1564,1588, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32, &end
#
# 105 TRP H 106 THR HA 5.15
&rst
ixpk= 0, nxpk= 0, iat=1564,1590, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65, &end
#
# 105 TRP H 107 LEU QD2 4.70
&rst
ixpk= 0, nxpk= 0, iat=1564, -1, r1= 1.30, r2= 1.80, r3= 6.34, r4= 6.84,
igr2=1611,1612,1613,1615,1616,1617,
&end
#
# 105 TRP H 116 ILE QG2 5.50
&rst
ixpk= 0, nxpk= 0, iat=1564, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1734,1735,1736,
&end
#
# 105 TRP HA 105 TRP HD1 4.89
&rst
ixpk= 0, nxpk= 0, iat=1566,1572, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39, &end
#
# 105 TRP HA 105 TRP HE3 4.18
&rst
ixpk= 0, nxpk= 0, iat=1566,1583, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68, &end
#
# 105 TRP HA 106 THR QG2 5.46
&rst
ixpk= 0, nxpk= 0, iat=1566, -1, r1= 1.30, r2= 1.80, r3= 6.56, r4= 7.06,
igr2=1594,1595,1596,
&end
#
# 105 TRP HA 107 LEU QD2 4.40
&rst
ixpk= 0, nxpk= 0, iat=1566, -1, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43,
igr2=1611,1612,1613,1615,1616,1617,
&end
#
# 105 TRP HA 116 ILE QG2 4.59
&rst
ixpk= 0, nxpk= 0, iat=1566, -1, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01,
igr2=1734,1735,1736,
&end
#
# 105 TRP HA 118 ASP HA 4.72
&rst
ixpk= 0, nxpk= 0, iat=1566,1766, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, &end
#
# 105 TRP HB2 105 TRP HE3 4.19
&rst
ixpk= 0, nxpk= 0, iat=1568,1583, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69, &end
#
# 105 TRP HB2 106 THR H 4.20
&rst
ixpk= 0, nxpk= 0, iat=1568,1588, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 105 TRP HB2 107 LEU QD1 5.35
&rst
ixpk= 0, nxpk= 0, iat=1568, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2=1611,1612,1613,1615,1616,1617,
&end
#
# 105 TRP HB2 116 ILE QG2 4.54
&rst
ixpk= 0, nxpk= 0, iat=1568, -1, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95,
igr2=1734,1735,1736,
&end
#
# 105 TRP HB2 117 GLN H 5.08
&rst
ixpk= 0, nxpk= 0, iat=1568,1747, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58, &end
#
# 105 TRP HB3 106 THR H 4.69
&rst
ixpk= 0, nxpk= 0, iat=1569,1588, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19, &end
#
# 105 TRP HB3 107 LEU QD1 4.33
&rst
ixpk= 0, nxpk= 0, iat=1569, -1, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
igr2=1611,1612,1613,1615,1616,1617,
&end
#
# 105 TRP HB3 107 LEU QD2 4.32
&rst
ixpk= 0, nxpk= 0, iat=1569, -1, r1= 1.30, r2= 1.80, r3= 5.82, r4= 6.32,
igr2=1611,1612,1613,1615,1616,1617,
&end
#
# 105 TRP HB3 116 ILE QG2 4.60
&rst
ixpk= 0, nxpk= 0, iat=1569, -1, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02,
igr2=1734,1735,1736,
&end
#
# 105 TRP HD1 116 ILE QG2 5.39
&rst
ixpk= 0, nxpk= 0, iat=1572, -1, r1= 1.30, r2= 1.80, r3= 6.47, r4= 6.97,
igr2=1734,1735,1736,
&end
#
# 105 TRP HE3 106 THR H 4.51
&rst
ixpk= 0, nxpk= 0, iat=1583,1588, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01, &end
#
# 105 TRP HE3 116 ILE QG2 4.40
&rst
ixpk= 0, nxpk= 0, iat=1583, -1, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
igr2=1734,1735,1736,
&end
#
# 105 TRP HE3 117 GLN H 5.13
&rst
ixpk= 0, nxpk= 0, iat=1583,1747, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63, &end
#
# 105 TRP HE3 118 ASP HA 3.58
&rst
ixpk= 0, nxpk= 0, iat=1583,1766, r1= 1.30, r2= 1.80, r3= 3.58, r4= 4.08, &end
#
# 105 TRP HE3 118 ASP HB3 4.97
&rst
ixpk= 0, nxpk= 0, iat=1583,1769, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47, &end
#
# 105 TRP HE3 125 TRP HD1 4.85
&rst
ixpk= 0, nxpk= 0, iat=1583,1878, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35, &end
#
# 105 TRP HE3 125 TRP HE1 4.57
&rst
ixpk= 0, nxpk= 0, iat=1583,1880, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07, &end
#
# 105 TRP HH2 125 TRP HD1 5.02
&rst
ixpk= 0, nxpk= 0, iat=1579,1878, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52, &end
#
# 105 TRP HH2 138 ILE HG13 4.55
&rst
ixpk= 0, nxpk= 0, iat=1579,2061, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05, &end
#
# 105 TRP HH2 138 ILE QD1 3.43
&rst
ixpk= 0, nxpk= 0, iat=1579, -1, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62,
igr2=2063,2064,2065,
&end
#
# 105 TRP HZ2 138 ILE QD1 4.11
&rst
ixpk= 0, nxpk= 0, iat=1577, -1, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
igr2=2063,2064,2065,
&end
#
# 105 TRP HZ3 116 ILE QG2 5.50
&rst
ixpk= 0, nxpk= 0, iat=1581, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1734,1735,1736,
&end
#
# 105 TRP HZ3 118 ASP HA 3.94
&rst
ixpk= 0, nxpk= 0, iat=1581,1766, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44, &end
#
# 105 TRP HZ3 125 TRP HD1 4.61
&rst
ixpk= 0, nxpk= 0, iat=1581,1878, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11, &end
#
# 105 TRP HZ3 125 TRP HE1 4.06
&rst
ixpk= 0, nxpk= 0, iat=1581,1880, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56, &end
#
# 105 TRP HZ3 138 ILE QG2 3.53
&rst
ixpk= 0, nxpk= 0, iat=1581, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr2=2056,2057,2058,
&end
#
# 106 THR H 106 THR QG2 4.33
&rst
ixpk= 0, nxpk= 0, iat=1588, -1, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,
igr2=1594,1595,1596,
&end
#
# 106 THR H 107 LEU HA 5.29
&rst
ixpk= 0, nxpk= 0, iat=1588,1604, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79, &end
#
# 106 THR H 116 ILE QG2 5.07
&rst
ixpk= 0, nxpk= 0, iat=1588, -1, r1= 1.30, r2= 1.80, r3= 6.09, r4= 6.59,
igr2=1734,1735,1736,
&end
#
# 106 THR H 117 GLN H 4.47
&rst
ixpk= 0, nxpk= 0, iat=1588,1747, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97, &end
#
# 106 THR H 117 GLN HB2 5.41
&rst
ixpk= 0, nxpk= 0, iat=1588,1751, r1= 1.30, r2= 1.80, r3= 5.41, r4= 5.91, &end
#
# 106 THR HA 106 THR QG2 3.44
&rst
ixpk= 0, nxpk= 0, iat=1590, -1, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63,
igr2=1594,1595,1596,
&end
#
# 106 THR HA 117 GLN H 5.30
&rst
ixpk= 0, nxpk= 0, iat=1590,1747, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, &end
#
# 106 THR HB 107 LEU H 5.50
&rst
ixpk= 0, nxpk= 0, iat=1592,1602, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 106 THR HB 117 GLN H 4.89
&rst
ixpk= 0, nxpk= 0, iat=1592,1747, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39, &end
#
# 106 THR HB 121 ARG HE 5.20
&rst
ixpk= 0, nxpk= 0, iat=1592,1818, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70, &end
#
# 106 THR HB 121 ARG QD 3.95
&rst
ixpk= 0, nxpk= 0, iat=1592, -1, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93,
igr2=1815,1816,
&end
#
# 106 THR QG2 107 LEU H 3.79
&rst
ixpk= 0, nxpk= 0, iat= -1,1602, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05,
igr1=1594,1595,1596,
&end
#
# 106 THR QG2 107 LEU QD2 5.18
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.39, r4= 8.89,
igr1=1594,1595,1596,
igr2=1611,1612,1613,1615,1616,1617,
&end
#
# 106 THR QG2 108 THR H 4.88
&rst
ixpk= 0, nxpk= 0, iat= -1,1621, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36,
igr1=1594,1595,1596,
&end
#
# 106 THR QG2 117 GLN H 4.92
&rst
ixpk= 0, nxpk= 0, iat= -1,1747, r1= 1.30, r2= 1.80, r3= 5.91, r4= 6.41,
igr1=1594,1595,1596,
&end
#
# 106 THR QG2 121 ARG HE 4.62
&rst
ixpk= 0, nxpk= 0, iat= -1,1818, r1= 1.30, r2= 1.80, r3= 5.55, r4= 6.05,
igr1=1594,1595,1596,
&end
#
# 106 THR QG2 121 ARG QD 3.46
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,
igr1=1594,1595,1596,
igr2=1815,1816,
&end
#
# 107 LEU H 107 LEU HG 4.62
&rst
ixpk= 0, nxpk= 0, iat=1602,1609, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12, &end
#
# 107 LEU H 107 LEU QD1 4.56
&rst
ixpk= 0, nxpk= 0, iat=1602, -1, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65,
igr2=1611,1612,1613,1615,1616,1617,
&end
#
# 107 LEU HA 107 LEU HG 3.70
&rst
ixpk= 0, nxpk= 0, iat=1604,1609, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20, &end
#
# 107 LEU HA 107 LEU QD1 3.89
&rst
ixpk= 0, nxpk= 0, iat=1604, -1, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,
igr2=1611,1612,1613,1615,1616,1617,
&end
#
# 107 LEU HA 107 LEU QD2 3.47
&rst
ixpk= 0, nxpk= 0, iat=1604, -1, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,
igr2=1611,1612,1613,1615,1616,1617,
&end
#
# 107 LEU HA 114 TYR HD 4.67
&rst
ixpk= 0, nxpk= 0, iat=1604, -1, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,
igr2=1701,1710,
&end
#
# 107 LEU HA 116 ILE QG2 4.35
&rst
ixpk= 0, nxpk= 0, iat=1604, -1, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
igr2=1734,1735,1736,
&end
#
# 107 LEU HA 117 GLN H 4.44
&rst
ixpk= 0, nxpk= 0, iat=1604,1747, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94, &end
#
# 107 LEU HB2 107 LEU QD2 3.80
&rst
ixpk= 0, nxpk= 0, iat=1606, -1, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
igr2=1611,1612,1613,1615,1616,1617,
&end
#
# 107 LEU HB2 114 TYR HD 4.62
&rst
ixpk= 0, nxpk= 0, iat=1606, -1, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,
igr2=1701,1710,
&end
#
# 107 LEU HB3 107 LEU QD1 3.85
&rst
ixpk= 0, nxpk= 0, iat=1607, -1, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,
igr2=1611,1612,1613,1615,1616,1617,
&end
#
# 107 LEU HB3 107 LEU QD2 3.84
&rst
ixpk= 0, nxpk= 0, iat=1607, -1, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68,
igr2=1611,1612,1613,1615,1616,1617,
&end
#
# 107 LEU HB3 108 THR H 4.51
&rst
ixpk= 0, nxpk= 0, iat=1607,1621, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01, &end
#
# 107 LEU HB3 114 TYR HD 5.06
&rst
ixpk= 0, nxpk= 0, iat=1607, -1, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18,
igr2=1701,1710,
&end
#
# 107 LEU HG 116 ILE QD1 5.50
&rst
ixpk= 0, nxpk= 0, iat=1609, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1741,1742,1743,
&end
#
# 107 LEU HG 116 ILE QG2 4.89
&rst
ixpk= 0, nxpk= 0, iat=1609, -1, r1= 1.30, r2= 1.80, r3= 5.87, r4= 6.37,
igr2=1734,1735,1736,
&end
#
# 107 LEU HG 150 ILE QD1 4.68
&rst
ixpk= 0, nxpk= 0, iat=1609, -1, r1= 1.30, r2= 1.80, r3= 5.62, r4= 6.12,
igr2=2237,2238,2239,
&end
#
# 107 LEU QD1 116 ILE QD1 4.59
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.43, r4= 7.93,
igr1=1611,1612,1613,1615,1616,1617,
igr2=1741,1742,1743,
&end
#
# 107 LEU QD1 116 ILE QG2 4.20
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.80, r4= 7.30,
igr1=1611,1612,1613,1615,1616,1617,
igr2=1734,1735,1736,
&end
#
# 107 LEU QD1 150 ILE QD1 3.64
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.89, r4= 6.39,
igr1=1611,1612,1613,1615,1616,1617,
igr2=2237,2238,2239,
&end
#
# 107 LEU QD2 108 THR H 4.12
&rst
ixpk= 0, nxpk= 0, iat= -1,1621, r1= 1.30, r2= 1.80, r3= 5.55, r4= 6.05,
igr1=1611,1612,1613,1615,1616,1617,
&end
#
# 107 LEU QD2 114 TYR HD 4.47
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.76, r4= 7.26,
igr1=1611,1612,1613,1615,1616,1617,
igr2=1701,1710,
&end
#
# 107 LEU QD2 116 ILE HA 4.09
&rst
ixpk= 0, nxpk= 0, iat= -1,1730, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01,
igr1=1611,1612,1613,1615,1616,1617,
&end
#
# 107 LEU QD2 116 ILE QG2 3.60
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.83, r4= 6.33,
igr1=1611,1612,1613,1615,1616,1617,
igr2=1734,1735,1736,
&end
#
# 107 LEU QD2 117 GLN H 4.30
&rst
ixpk= 0, nxpk= 0, iat= -1,1747, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
igr1=1611,1612,1613,1615,1616,1617,
&end
#
# 107 LEU QD2 150 ILE QD1 3.60
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.83, r4= 6.33,
igr1=1611,1612,1613,1615,1616,1617,
igr2=2237,2238,2239,
&end
#
# 108 THR H 108 THR QG2 4.25
&rst
ixpk= 0, nxpk= 0, iat=1621, -1, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
igr2=1627,1628,1629,
&end
#
# 108 THR H 109 LEU H 4.73
&rst
ixpk= 0, nxpk= 0, iat=1621,1635, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23, &end
#
# 108 THR H 109 LEU HA 5.50
&rst
ixpk= 0, nxpk= 0, iat=1621,1637, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 108 THR H 114 TYR HD 4.37
&rst
ixpk= 0, nxpk= 0, iat=1621, -1, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,
igr2=1701,1710,
&end
#
# 108 THR H 115 ASN H 4.80
&rst
ixpk= 0, nxpk= 0, iat=1621,1714, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, &end
#
# 108 THR H 115 ASN HB2 5.10
&rst
ixpk= 0, nxpk= 0, iat=1621,1718, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60, &end
#
# 108 THR H 116 ILE QG2 5.50
&rst
ixpk= 0, nxpk= 0, iat=1621, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1734,1735,1736,
&end
#
# 108 THR H 117 GLN H 5.18
&rst
ixpk= 0, nxpk= 0, iat=1621,1747, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68, &end
#
# 108 THR HA 108 THR QG2 3.00
&rst
ixpk= 0, nxpk= 0, iat=1623, -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr2=1627,1628,1629,
&end
#
# 108 THR HA 109 LEU H 3.55
&rst
ixpk= 0, nxpk= 0, iat=1623,1635, r1= 1.30, r2= 1.80, r3= 3.55, r4= 4.05, &end
#
# 108 THR HA 109 LEU HB2 5.15
&rst
ixpk= 0, nxpk= 0, iat=1623,1639, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65, &end
#
# 108 THR HB 115 ASN H 5.02
&rst
ixpk= 0, nxpk= 0, iat=1625,1714, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52, &end
#
# 108 THR HB 115 ASN HB2 3.92
&rst
ixpk= 0, nxpk= 0, iat=1625,1718, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42, &end
#
# 108 THR HB 115 ASN HB3 4.25
&rst
ixpk= 0, nxpk= 0, iat=1625,1719, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75, &end
#
# 108 THR QG2 109 LEU H 3.57
&rst
ixpk= 0, nxpk= 0, iat= -1,1635, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79,
igr1=1627,1628,1629,
&end
#
# 108 THR QG2 109 LEU HA 4.44
&rst
ixpk= 0, nxpk= 0, iat= -1,1637, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83,
igr1=1627,1628,1629,
&end
#
# 108 THR QG2 109 LEU QD1 5.19
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.40, r4= 8.90,
igr1=1627,1628,1629,
igr2=1644,1645,1646,1648,1649,1650,
&end
#
# 108 THR QG2 115 ASN H 4.63
&rst
ixpk= 0, nxpk= 0, iat= -1,1714, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
igr1=1627,1628,1629,
&end
#
# 108 THR QG2 115 ASN HB2 4.24
&rst
ixpk= 0, nxpk= 0, iat= -1,1718, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
igr1=1627,1628,1629,
&end
#
# 109 LEU H 109 LEU HB2 4.10
&rst
ixpk= 0, nxpk= 0, iat=1635,1639, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60, &end
#
# 109 LEU H 109 LEU HG 5.10
&rst
ixpk= 0, nxpk= 0, iat=1635,1642, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60, &end
#
# 109 LEU H 109 LEU QD2 4.52
&rst
ixpk= 0, nxpk= 0, iat=1635, -1, r1= 1.30, r2= 1.80, r3= 6.09, r4= 6.59,
igr2=1644,1645,1646,1648,1649,1650,
&end
#
# 109 LEU H 109 LEU QD1 4.21
&rst
ixpk= 0, nxpk= 0, iat=1635, -1, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18,
igr2=1644,1645,1646,1648,1649,1650,
&end
#
# 109 LEU H 110 THR H 5.14
&rst
ixpk= 0, nxpk= 0, iat=1635,1654, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64, &end
#
# 109 LEU H 110 THR QG2 5.46
&rst
ixpk= 0, nxpk= 0, iat=1635, -1, r1= 1.30, r2= 1.80, r3= 6.56, r4= 7.06,
igr2=1660,1661,1662,
&end
#
# 109 LEU H 114 TYR HD 4.68
&rst
ixpk= 0, nxpk= 0, iat=1635, -1, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75,
igr2=1701,1710,
&end
#
# 109 LEU H 114 TYR HE 4.50
&rst
ixpk= 0, nxpk= 0, iat=1635, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1703,1708,
&end
#
# 109 LEU HA 109 LEU HG 3.48
&rst
ixpk= 0, nxpk= 0, iat=1637,1642, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98, &end
#
# 109 LEU HA 109 LEU QD2 3.98
&rst
ixpk= 0, nxpk= 0, iat=1637, -1, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,
igr2=1644,1645,1646,1648,1649,1650,
&end
#
# 109 LEU HA 109 LEU QD1 3.31
&rst
ixpk= 0, nxpk= 0, iat=1637, -1, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96,
igr2=1644,1645,1646,1648,1649,1650,
&end
#
# 109 LEU HA 110 THR HA 5.29
&rst
ixpk= 0, nxpk= 0, iat=1637,1656, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79, &end
#
# 109 LEU HA 110 THR QG2 4.81
&rst
ixpk= 0, nxpk= 0, iat=1637, -1, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28,
igr2=1660,1661,1662,
&end
#
# 109 LEU HA 113 GLY H 6.00
&rst
ixpk= 0, nxpk= 0, iat=1637,1686, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 109 LEU HA 114 TYR HA 4.27
&rst
ixpk= 0, nxpk= 0, iat=1637,1695, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77, &end
#
# 109 LEU HA 114 TYR HB2 5.10
&rst
ixpk= 0, nxpk= 0, iat=1637,1697, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60, &end
#
# 109 LEU HA 114 TYR HD 4.01
&rst
ixpk= 0, nxpk= 0, iat=1637, -1, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,
igr2=1701,1710,
&end
#
# 109 LEU HA 114 TYR HE 4.64
&rst
ixpk= 0, nxpk= 0, iat=1637, -1, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71,
igr2=1703,1708,
&end
#
# 109 LEU HA 115 ASN H 4.66
&rst
ixpk= 0, nxpk= 0, iat=1637,1714, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16, &end
#
# 109 LEU HB2 109 LEU QD2 3.35
&rst
ixpk= 0, nxpk= 0, iat=1639, -1, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02,
igr2=1644,1645,1646,1648,1649,1650,
&end
#
# 109 LEU HB2 109 LEU QD1 3.66
&rst
ixpk= 0, nxpk= 0, iat=1639, -1, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43,
igr2=1644,1645,1646,1648,1649,1650,
&end
#
# 109 LEU HB2 110 THR H 4.82
&rst
ixpk= 0, nxpk= 0, iat=1639,1654, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32, &end
#
# 109 LEU HB2 114 TYR HE 5.28
&rst
ixpk= 0, nxpk= 0, iat=1639, -1, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43,
igr2=1703,1708,
&end
#
# 109 LEU HB3 109 LEU QD1 3.59
&rst
ixpk= 0, nxpk= 0, iat=1640, -1, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,
igr2=1644,1645,1646,1648,1649,1650,
&end
#
# 109 LEU HB3 110 THR H 4.78
&rst
ixpk= 0, nxpk= 0, iat=1640,1654, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28, &end
#
# 109 LEU HG 110 THR H 5.29
&rst
ixpk= 0, nxpk= 0, iat=1642,1654, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79, &end
#
# 109 LEU QD2 110 THR H 4.82
&rst
ixpk= 0, nxpk= 0, iat= -1,1654, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,
igr1=1644,1645,1646,1648,1649,1650,
&end
#
# 109 LEU QD2 113 GLY H 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1686, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1644,1645,1646,1648,1649,1650,
&end
#
# 109 LEU QD2 114 TYR HD 4.68
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.08, r4= 7.58,
igr1=1644,1645,1646,1648,1649,1650,
igr2=1701,1710,
&end
#
# 109 LEU QD2 114 TYR HE 3.64
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01,
igr1=1644,1645,1646,1648,1649,1650,
igr2=1703,1708,
&end
#
# 109 LEU QD1 110 THR H 3.60
&rst
ixpk= 0, nxpk= 0, iat= -1,1654, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
igr1=1644,1645,1646,1648,1649,1650,
&end
#
# 109 LEU QD1 110 THR HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1656, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1644,1645,1646,1648,1649,1650,
&end
#
# 109 LEU QD1 110 THR QG2 5.15
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.34, r4= 8.84,
igr1=1644,1645,1646,1648,1649,1650,
igr2=1660,1661,1662,
&end
#
# 109 LEU QD1 111 SER HA 5.36
&rst
ixpk= 0, nxpk= 0, iat= -1,1670, r1= 1.30, r2= 1.80, r3= 7.23, r4= 7.73,
igr1=1644,1645,1646,1648,1649,1650,
&end
#
# 109 LEU QD1 112 GLY H 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1679, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1644,1645,1646,1648,1649,1650,
&end
#
# 109 LEU QD1 113 GLY H 4.44
&rst
ixpk= 0, nxpk= 0, iat= -1,1686, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr1=1644,1645,1646,1648,1649,1650,
&end
#
# 109 LEU QD1 113 GLY HA2 4.76
&rst
ixpk= 0, nxpk= 0, iat= -1,1688, r1= 1.30, r2= 1.80, r3= 6.42, r4= 6.92,
igr1=1644,1645,1646,1648,1649,1650,
&end
#
# 109 LEU QD1 114 TYR H 4.60
&rst
ixpk= 0, nxpk= 0, iat= -1,1693, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70,
igr1=1644,1645,1646,1648,1649,1650,
&end
#
# 109 LEU QD1 114 TYR HA 3.95
&rst
ixpk= 0, nxpk= 0, iat= -1,1695, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82,
igr1=1644,1645,1646,1648,1649,1650,
&end
#
# 109 LEU QD1 114 TYR HD 3.63
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99,
igr1=1644,1645,1646,1648,1649,1650,
igr2=1701,1710,
&end
#
# 109 LEU QD1 114 TYR HE 3.56
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1=1644,1645,1646,1648,1649,1650,
igr2=1703,1708,
&end
#
# 109 LEU QD1 115 ASN H 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1714, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1=1644,1645,1646,1648,1649,1650,
&end
#
# 110 THR H 110 THR QG2 4.22
&rst
ixpk= 0, nxpk= 0, iat=1654, -1, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,
igr2=1660,1661,1662,
&end
#
# 110 THR H 113 GLY H 4.76
&rst
ixpk= 0, nxpk= 0, iat=1654,1686, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26, &end
#
# 110 THR H 113 GLY HA3 5.10
&rst
ixpk= 0, nxpk= 0, iat=1654,1689, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60, &end
#
# 110 THR H 114 TYR H 5.50
&rst
ixpk= 0, nxpk= 0, iat=1654,1693, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 110 THR H 114 TYR HD 5.30
&rst
ixpk= 0, nxpk= 0, iat=1654, -1, r1= 1.30, r2= 1.80, r3= 5.95, r4= 6.45,
igr2=1701,1710,
&end
#
# 110 THR H 115 ASN H 5.10
&rst
ixpk= 0, nxpk= 0, iat=1654,1714, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60, &end
#
# 110 THR HA 110 THR HB 2.96
&rst
ixpk= 0, nxpk= 0, iat=1656,1658, r1= 1.30, r2= 1.80, r3= 2.96, r4= 3.46, &end
#
# 110 THR HA 110 THR QG2 3.74
&rst
ixpk= 0, nxpk= 0, iat=1656, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2=1660,1661,1662,
&end
#
# 110 THR HA 112 GLY H 4.99
&rst
ixpk= 0, nxpk= 0, iat=1656,1679, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49, &end
#
# 110 THR HB 111 SER QB 4.65
&rst
ixpk= 0, nxpk= 0, iat=1658, -1, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
igr2=1672,1673,
&end
#
# 110 THR QG2 112 GLY H 4.98
&rst
ixpk= 0, nxpk= 0, iat= -1,1679, r1= 1.30, r2= 1.80, r3= 5.98, r4= 6.48,
igr1=1660,1661,1662,
&end
#
# 110 THR QG2 113 GLY H 5.21
&rst
ixpk= 0, nxpk= 0, iat= -1,1686, r1= 1.30, r2= 1.80, r3= 6.26, r4= 6.76,
igr1=1660,1661,1662,
&end
#
# 110 THR QG2 115 ASN H 4.49
&rst
ixpk= 0, nxpk= 0, iat= -1,1714, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1=1660,1661,1662,
&end
#
# 110 THR QG2 115 ASN HB2 4.16
&rst
ixpk= 0, nxpk= 0, iat= -1,1718, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
igr1=1660,1661,1662,
&end
#
# 110 THR QG2 115 ASN HB3 4.14
&rst
ixpk= 0, nxpk= 0, iat= -1,1719, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47,
igr1=1660,1661,1662,
&end
#
# 110 THR QG2 115 ASN HND1 5.39
&rst
ixpk= 0, nxpk= 0, iat= -1,1724, r1= 1.30, r2= 1.80, r3= 6.47, r4= 6.97,
igr1=1660,1661,1662,
&end
#
# 110 THR QG2 115 ASN HND2 5.26
&rst
ixpk= 0, nxpk= 0, iat= -1,1723, r1= 1.30, r2= 1.80, r3= 6.32, r4= 6.82,
igr1=1660,1661,1662,
&end
#
# 111 SER HA 113 GLY H 5.06
&rst
ixpk= 0, nxpk= 0, iat=1670,1686, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56, &end
#
# 111 SER HB3 112 GLY H 4.29
&rst
ixpk= 0, nxpk= 0, iat=1673,1679, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79, &end
#
# 111 SER QB 112 GLY HA2 5.10
&rst
ixpk= 0, nxpk= 0, iat= -1,1681, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,
igr1=1672,1673,
&end
#
# 112 GLY H 113 GLY H 3.88
&rst
ixpk= 0, nxpk= 0, iat=1679,1686, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38, &end
#
# 112 GLY HA2 113 GLY HA3 5.20
&rst
ixpk= 0, nxpk= 0, iat=1681,1689, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70, &end
#
# 113 GLY H 114 TYR H 4.70
&rst
ixpk= 0, nxpk= 0, iat=1686,1693, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, &end
#
# 113 GLY HA2 114 TYR HA 5.33
&rst
ixpk= 0, nxpk= 0, iat=1688,1695, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83, &end
#
# 113 GLY HA2 114 TYR HB2 4.82
&rst
ixpk= 0, nxpk= 0, iat=1688,1697, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32, &end
#
# 114 TYR H 114 TYR HD 3.94
&rst
ixpk= 0, nxpk= 0, iat=1693, -1, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92,
igr2=1701,1710,
&end
#
# 114 TYR H 115 ASN H 4.98
&rst
ixpk= 0, nxpk= 0, iat=1693,1714, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48, &end
#
# 114 TYR H 148 TRP H 4.58
&rst
ixpk= 0, nxpk= 0, iat=1693,2184, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08, &end
#
# 114 TYR H 148 TRP HB2 5.11
&rst
ixpk= 0, nxpk= 0, iat=1693,2188, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61, &end
#
# 114 TYR H 149 VAL QG2 5.50
&rst
ixpk= 0, nxpk= 0, iat=1693, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2=2214,2215,2216,2218,2219,2220,
&end
#
# 114 TYR H 150 ILE QD1 5.50
&rst
ixpk= 0, nxpk= 0, iat=1693, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=2237,2238,2239,
&end
#
# 114 TYR HA 114 TYR HD 3.74
&rst
ixpk= 0, nxpk= 0, iat=1695, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2=1701,1710,
&end
#
# 114 TYR HA 115 ASN HB2 4.98
&rst
ixpk= 0, nxpk= 0, iat=1695,1718, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48, &end
#
# 114 TYR HB2 115 ASN H 4.80
&rst
ixpk= 0, nxpk= 0, iat=1697,1714, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, &end
#
# 114 TYR HB2 116 ILE QD1 5.46
&rst
ixpk= 0, nxpk= 0, iat=1697, -1, r1= 1.30, r2= 1.80, r3= 6.56, r4= 7.06,
igr2=1741,1742,1743,
&end
#
# 114 TYR HB2 150 ILE QD1 4.99
&rst
ixpk= 0, nxpk= 0, iat=1697, -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr2=2237,2238,2239,
&end
#
# 114 TYR HB3 116 ILE HG13 5.50
&rst
ixpk= 0, nxpk= 0, iat=1698,1739, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 114 TYR HB3 116 ILE QD1 5.12
&rst
ixpk= 0, nxpk= 0, iat=1698, -1, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65,
igr2=1741,1742,1743,
&end
#
# 114 TYR HB3 148 TRP HB2 3.93
&rst
ixpk= 0, nxpk= 0, iat=1698,2188, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, &end
#
# 114 TYR HB3 150 ILE QD1 4.63
&rst
ixpk= 0, nxpk= 0, iat=1698, -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
igr2=2237,2238,2239,
&end
#
# 114 TYR HD 115 ASN H 4.28
&rst
ixpk= 0, nxpk= 0, iat= -1,1714, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr1=1701,1710,
&end
#
# 114 TYR HD 116 ILE QD1 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1701,1710,
igr2=1741,1742,1743,
&end
#
# 114 TYR HD 149 VAL HA 4.36
&rst
ixpk= 0, nxpk= 0, iat= -1,2210, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39,
igr1=1701,1710,
&end
#
# 114 TYR HD 150 ILE H 4.09
&rst
ixpk= 0, nxpk= 0, iat= -1,2224, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09,
igr1=1701,1710,
&end
#
# 114 TYR HD 150 ILE HB 4.63
&rst
ixpk= 0, nxpk= 0, iat= -1,2228, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,
igr1=1701,1710,
&end
#
# 114 TYR HD 150 ILE HG12 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,2234, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1701,1710,
&end
#
# 114 TYR HD 150 ILE QD1 3.96
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
igr1=1701,1710,
igr2=2237,2238,2239,
&end
#
# 114 TYR HE 149 VAL QG1 4.96
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.50, r4= 8.00,
igr1=1703,1708,
igr2=2214,2215,2216,2218,2219,2220,
&end
#
# 114 TYR HE 150 ILE QD1 3.83
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
igr1=1703,1708,
igr2=2237,2238,2239,
&end
#
# 115 ASN H 115 ASN HB2 4.17
&rst
ixpk= 0, nxpk= 0, iat=1714,1718, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67, &end
#
# 115 ASN H 148 TRP H 5.50
&rst
ixpk= 0, nxpk= 0, iat=1714,2184, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 115 ASN HA 115 ASN HND1 4.40
&rst
ixpk= 0, nxpk= 0, iat=1716,1724, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90, &end
#
# 115 ASN HA 115 ASN HND2 4.87
&rst
ixpk= 0, nxpk= 0, iat=1716,1723, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37, &end
#
# 115 ASN HA 116 ILE HG13 3.85
&rst
ixpk= 0, nxpk= 0, iat=1716,1739, r1= 1.30, r2= 1.80, r3= 3.85, r4= 4.35, &end
#
# 115 ASN HA 116 ILE QD1 5.30
&rst
ixpk= 0, nxpk= 0, iat=1716, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr2=1741,1742,1743,
&end
#
# 115 ASN HND1 116 ILE H 5.11
&rst
ixpk= 0, nxpk= 0, iat=1724,1728, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61, &end
#
# 115 ASN HND1 117 GLN HG2 5.46
&rst
ixpk= 0, nxpk= 0, iat=1724,1754, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96, &end
#
# 115 ASN HND1 117 GLN HG3 5.43
&rst
ixpk= 0, nxpk= 0, iat=1724,1755, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93, &end
#
# 115 ASN HND2 117 GLN HG2 5.50
&rst
ixpk= 0, nxpk= 0, iat=1723,1754, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 115 ASN HND2 117 GLN HG3 5.46
&rst
ixpk= 0, nxpk= 0, iat=1723,1755, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96, &end
#
# 115 ASN HND2 125 TRP H 5.50
&rst
ixpk= 0, nxpk= 0, iat=1723,1870, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 116 ILE H 116 ILE HG13 4.68
&rst
ixpk= 0, nxpk= 0, iat=1728,1739, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18, &end
#
# 116 ILE H 116 ILE QG2 4.58
&rst
ixpk= 0, nxpk= 0, iat=1728, -1, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
igr2=1734,1735,1736,
&end
#
# 116 ILE HA 116 ILE QD1 4.48
&rst
ixpk= 0, nxpk= 0, iat=1730, -1, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88,
igr2=1741,1742,1743,
&end
#
# 116 ILE HA 116 ILE QG2 3.99
&rst
ixpk= 0, nxpk= 0, iat=1730, -1, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,
igr2=1734,1735,1736,
&end
#
# 116 ILE HA 117 GLN HA 5.01
&rst
ixpk= 0, nxpk= 0, iat=1730,1749, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51, &end
#
# 116 ILE HB 116 ILE QD1 3.93
&rst
ixpk= 0, nxpk= 0, iat=1732, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2=1741,1742,1743,
&end
#
# 116 ILE HB 117 GLN H 5.28
&rst
ixpk= 0, nxpk= 0, iat=1732,1747, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78, &end
#
# 116 ILE HG12 117 GLN H 5.50
&rst
ixpk= 0, nxpk= 0, iat=1738,1747, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 116 ILE HG13 148 TRP HA 5.25
&rst
ixpk= 0, nxpk= 0, iat=1739,2186, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75, &end
#
# 116 ILE HG13 148 TRP HB2 4.70
&rst
ixpk= 0, nxpk= 0, iat=1739,2188, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, &end
#
# 116 ILE HG13 148 TRP HD1 4.93
&rst
ixpk= 0, nxpk= 0, iat=1739,2192, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43, &end
#
# 116 ILE HG13 148 TRP HE1 5.50
&rst
ixpk= 0, nxpk= 0, iat=1739,2194, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 116 ILE QD1 117 GLN H 5.31
&rst
ixpk= 0, nxpk= 0, iat= -1,1747, r1= 1.30, r2= 1.80, r3= 6.38, r4= 6.88,
igr1=1741,1742,1743,
&end
#
# 116 ILE QD1 125 TRP HE3 3.81
&rst
ixpk= 0, nxpk= 0, iat= -1,1889, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
igr1=1741,1742,1743,
&end
#
# 116 ILE QD1 125 TRP HH2 5.37
&rst
ixpk= 0, nxpk= 0, iat= -1,1885, r1= 1.30, r2= 1.80, r3= 6.45, r4= 6.95,
igr1=1741,1742,1743,
&end
#
# 116 ILE QD1 125 TRP HZ3 4.33
&rst
ixpk= 0, nxpk= 0, iat= -1,1887, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,
igr1=1741,1742,1743,
&end
#
# 116 ILE QD1 148 TRP HA 4.62
&rst
ixpk= 0, nxpk= 0, iat= -1,2186, r1= 1.30, r2= 1.80, r3= 5.55, r4= 6.05,
igr1=1741,1742,1743,
&end
#
# 116 ILE QD1 148 TRP HB2 4.34
&rst
ixpk= 0, nxpk= 0, iat= -1,2188, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71,
igr1=1741,1742,1743,
&end
#
# 116 ILE QD1 148 TRP HB3 4.85
&rst
ixpk= 0, nxpk= 0, iat= -1,2189, r1= 1.30, r2= 1.80, r3= 5.82, r4= 6.32,
igr1=1741,1742,1743,
&end
#
# 116 ILE QD1 148 TRP HD1 4.49
&rst
ixpk= 0, nxpk= 0, iat= -1,2192, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1=1741,1742,1743,
&end
#
# 116 ILE QD1 148 TRP HE1 4.67
&rst
ixpk= 0, nxpk= 0, iat= -1,2194, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1=1741,1742,1743,
&end
#
# 116 ILE QD1 148 TRP HE3 5.01
&rst
ixpk= 0, nxpk= 0, iat= -1,2203, r1= 1.30, r2= 1.80, r3= 6.02, r4= 6.52,
igr1=1741,1742,1743,
&end
#
# 116 ILE QD1 148 TRP HZ2 5.42
&rst
ixpk= 0, nxpk= 0, iat= -1,2197, r1= 1.30, r2= 1.80, r3= 6.51, r4= 7.01,
igr1=1741,1742,1743,
&end
#
# 116 ILE QD1 150 ILE QD1 4.58
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1741,1742,1743,
igr2=2237,2238,2239,
&end
#
# 116 ILE QD1 150 ILE QG2 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
igr1=1741,1742,1743,
igr2=2230,2231,2232,
&end
#
# 116 ILE QG2 116 ILE QD1 3.62
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
igr1=1734,1735,1736,
igr2=1741,1742,1743,
&end
#
# 116 ILE QG2 117 GLN H 4.39
&rst
ixpk= 0, nxpk= 0, iat= -1,1747, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77,
igr1=1734,1735,1736,
&end
#
# 116 ILE QG2 117 GLN HA 5.44
&rst
ixpk= 0, nxpk= 0, iat= -1,1749, r1= 1.30, r2= 1.80, r3= 6.53, r4= 7.03,
igr1=1734,1735,1736,
&end
#
# 116 ILE QG2 124 SER HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1861, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1734,1735,1736,
&end
#
# 116 ILE QG2 125 TRP H 5.42
&rst
ixpk= 0, nxpk= 0, iat= -1,1870, r1= 1.30, r2= 1.80, r3= 6.51, r4= 7.01,
igr1=1734,1735,1736,
&end
#
# 116 ILE QG2 125 TRP HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1872, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1734,1735,1736,
&end
#
# 116 ILE QG2 125 TRP HD1 4.28
&rst
ixpk= 0, nxpk= 0, iat= -1,1878, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
igr1=1734,1735,1736,
&end
#
# 116 ILE QG2 125 TRP HE1 5.26
&rst
ixpk= 0, nxpk= 0, iat= -1,1880, r1= 1.30, r2= 1.80, r3= 6.32, r4= 6.82,
igr1=1734,1735,1736,
&end
#
# 116 ILE QG2 125 TRP HE3 4.45
&rst
ixpk= 0, nxpk= 0, iat= -1,1889, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
igr1=1734,1735,1736,
&end
#
# 116 ILE QG2 125 TRP HH2 5.37
&rst
ixpk= 0, nxpk= 0, iat= -1,1885, r1= 1.30, r2= 1.80, r3= 6.45, r4= 6.95,
igr1=1734,1735,1736,
&end
#
# 116 ILE QG2 125 TRP HZ2 4.61
&rst
ixpk= 0, nxpk= 0, iat= -1,1883, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,
igr1=1734,1735,1736,
&end
#
# 116 ILE QG2 125 TRP HZ3 4.95
&rst
ixpk= 0, nxpk= 0, iat= -1,1887, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr1=1734,1735,1736,
&end
#
# 116 ILE QG2 150 ILE QD1 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
igr1=1734,1735,1736,
igr2=2237,2238,2239,
&end
#
# 117 GLN H 117 GLN HG3 4.92
&rst
ixpk= 0, nxpk= 0, iat=1747,1755, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42, &end
#
# 117 GLN HA 117 GLN HNE1 5.36
&rst
ixpk= 0, nxpk= 0, iat=1749,1760, r1= 1.30, r2= 1.80, r3= 5.36, r4= 5.86, &end
#
# 117 GLN HA 117 GLN HNE2 5.18
&rst
ixpk= 0, nxpk= 0, iat=1749,1759, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68, &end
#
# 117 GLN HA 117 GLN HG2 4.16
&rst
ixpk= 0, nxpk= 0, iat=1749,1754, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66, &end
#
# 117 GLN HA 117 GLN HG3 4.16
&rst
ixpk= 0, nxpk= 0, iat=1749,1755, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66, &end
#
# 117 GLN HA 121 ARG H 5.50
&rst
ixpk= 0, nxpk= 0, iat=1749,1805, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 117 GLN HA 121 ARG HA 4.92
&rst
ixpk= 0, nxpk= 0, iat=1749,1807, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42, &end
#
# 117 GLN HA 123 VAL H 5.43
&rst
ixpk= 0, nxpk= 0, iat=1749,1843, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93, &end
#
# 117 GLN HA 123 VAL QG2 5.30
&rst
ixpk= 0, nxpk= 0, iat=1749, -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
igr2=1849,1850,1851,1853,1854,1855,
&end
#
# 117 GLN HA 124 SER H 5.50
&rst
ixpk= 0, nxpk= 0, iat=1749,1859, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 117 GLN HA 124 SER HA 4.04
&rst
ixpk= 0, nxpk= 0, iat=1749,1861, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54, &end
#
# 117 GLN HB2 117 GLN HNE2 4.58
&rst
ixpk= 0, nxpk= 0, iat=1751,1759, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08, &end
#
# 117 GLN HB2 118 ASP H 4.55
&rst
ixpk= 0, nxpk= 0, iat=1751,1764, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05, &end
#
# 117 GLN HB2 121 ARG H 4.29
&rst
ixpk= 0, nxpk= 0, iat=1751,1805, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79, &end
#
# 117 GLN HB2 121 ARG HA 4.19
&rst
ixpk= 0, nxpk= 0, iat=1751,1807, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69, &end
#
# 117 GLN HB3 118 ASP H 4.27
&rst
ixpk= 0, nxpk= 0, iat=1752,1764, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77, &end
#
# 117 GLN HB3 121 ARG H 5.50
&rst
ixpk= 0, nxpk= 0, iat=1752,1805, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 117 GLN HB3 121 ARG HA 4.18
&rst
ixpk= 0, nxpk= 0, iat=1752,1807, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68, &end
#
# 117 GLN HB3 124 SER HA 4.71
&rst
ixpk= 0, nxpk= 0, iat=1752,1861, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21, &end
#
# 117 GLN HNE1 124 SER HA 5.50
&rst
ixpk= 0, nxpk= 0, iat=1760,1861, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 117 GLN HNE2 121 ARG H 5.38
&rst
ixpk= 0, nxpk= 0, iat=1759,1805, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88, &end
#
# 117 GLN HNE2 121 ARG HA 4.80
&rst
ixpk= 0, nxpk= 0, iat=1759,1807, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, &end
#
# 117 GLN HNE2 121 ARG QD 5.50
&rst
ixpk= 0, nxpk= 0, iat=1759, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1815,1816,
&end
#
# 117 GLN HNE2 124 SER HA 5.45
&rst
ixpk= 0, nxpk= 0, iat=1759,1861, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95, &end
#
# 117 GLN HG2 121 ARG HA 4.86
&rst
ixpk= 0, nxpk= 0, iat=1754,1807, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36, &end
#
# 117 GLN HG2 124 SER HA 4.36
&rst
ixpk= 0, nxpk= 0, iat=1754,1861, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86, &end
#
# 117 GLN HG3 124 SER HA 5.22
&rst
ixpk= 0, nxpk= 0, iat=1755,1861, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72, &end
#
# 118 ASP H 121 ARG H 4.73
&rst
ixpk= 0, nxpk= 0, iat=1764,1805, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23, &end
#
# 118 ASP H 121 ARG HA 4.97
&rst
ixpk= 0, nxpk= 0, iat=1764,1807, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47, &end
#
# 118 ASP H 122 THR H 5.50
&rst
ixpk= 0, nxpk= 0, iat=1764,1829, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 118 ASP H 123 VAL H 4.85
&rst
ixpk= 0, nxpk= 0, iat=1764,1843, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35, &end
#
# 118 ASP H 123 VAL QG1 5.39
&rst
ixpk= 0, nxpk= 0, iat=1764, -1, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
igr2=1849,1850,1851,1853,1854,1855,
&end
#
# 118 ASP H 123 VAL QG2 4.53
&rst
ixpk= 0, nxpk= 0, iat=1764, -1, r1= 1.30, r2= 1.80, r3= 6.11, r4= 6.61,
igr2=1849,1850,1851,1853,1854,1855,
&end
#
# 118 ASP HA 123 VAL QG2 5.16
&rst
ixpk= 0, nxpk= 0, iat=1766, -1, r1= 1.30, r2= 1.80, r3= 6.96, r4= 7.46,
igr2=1849,1850,1851,1853,1854,1855,
&end
#
# 118 ASP HB2 119 GLY H 4.34
&rst
ixpk= 0, nxpk= 0, iat=1768,1776, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84, &end
#
# 118 ASP HB2 123 VAL QG2 4.33
&rst
ixpk= 0, nxpk= 0, iat=1768, -1, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
igr2=1849,1850,1851,1853,1854,1855,
&end
#
# 118 ASP HB3 119 GLY H 4.66
&rst
ixpk= 0, nxpk= 0, iat=1769,1776, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16, &end
#
# 118 ASP HB3 123 VAL QG2 4.54
&rst
ixpk= 0, nxpk= 0, iat=1769, -1, r1= 1.30, r2= 1.80, r3= 6.12, r4= 6.62,
igr2=1849,1850,1851,1853,1854,1855,
&end
#
# 119 GLY H 120 LYS H 4.38
&rst
ixpk= 0, nxpk= 0, iat=1776,1783, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88, &end
#
# 119 GLY H 120 LYS HA 4.93
&rst
ixpk= 0, nxpk= 0, iat=1776,1785, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43, &end
#
# 119 GLY H 120 LYS HG2 5.37
&rst
ixpk= 0, nxpk= 0, iat=1776,1790, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87, &end
#
# 119 GLY H 121 ARG H 4.48
&rst
ixpk= 0, nxpk= 0, iat=1776,1805, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98, &end
#
# 119 GLY HA3 120 LYS HG2 5.15
&rst
ixpk= 0, nxpk= 0, iat=1779,1790, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65, &end
#
# 120 LYS H 120 LYS HG2 3.96
&rst
ixpk= 0, nxpk= 0, iat=1783,1790, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46, &end
#
# 120 LYS H 120 LYS HG3 3.97
&rst
ixpk= 0, nxpk= 0, iat=1783,1791, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47, &end
#
# 120 LYS H 120 LYS QD 4.12
&rst
ixpk= 0, nxpk= 0, iat=1783, -1, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
igr2=1793,1794,
&end
#
# 120 LYS H 120 LYS QE 4.43
&rst
ixpk= 0, nxpk= 0, iat=1783, -1, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47,
igr2=1796,1797,
&end
#
# 120 LYS H 121 ARG H 4.19
&rst
ixpk= 0, nxpk= 0, iat=1783,1805, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69, &end
#
# 120 LYS H 122 THR QG2 4.37
&rst
ixpk= 0, nxpk= 0, iat=1783, -1, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75,
igr2=1835,1836,1837,
&end
#
# 120 LYS HA 120 LYS HB2 2.96
&rst
ixpk= 0, nxpk= 0, iat=1785,1787, r1= 1.30, r2= 1.80, r3= 2.96, r4= 3.46, &end
#
# 120 LYS HA 120 LYS HG2 3.63
&rst
ixpk= 0, nxpk= 0, iat=1785,1790, r1= 1.30, r2= 1.80, r3= 3.63, r4= 4.13, &end
#
# 120 LYS HA 120 LYS QD 3.44
&rst
ixpk= 0, nxpk= 0, iat=1785, -1, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36,
igr2=1793,1794,
&end
#
# 120 LYS HA 121 ARG QD 4.17
&rst
ixpk= 0, nxpk= 0, iat=1785, -1, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,
igr2=1815,1816,
&end
#
# 120 LYS HA 122 THR QG2 4.85
&rst
ixpk= 0, nxpk= 0, iat=1785, -1, r1= 1.30, r2= 1.80, r3= 5.82, r4= 6.32,
igr2=1835,1836,1837,
&end
#
# 120 LYS HB2 120 LYS QE 5.00
&rst
ixpk= 0, nxpk= 0, iat=1787, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2=1796,1797,
&end
#
# 120 LYS HB2 121 ARG H 5.21
&rst
ixpk= 0, nxpk= 0, iat=1787,1805, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71, &end
#
# 120 LYS HB2 122 THR QG2 3.36
&rst
ixpk= 0, nxpk= 0, iat=1787, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr2=1835,1836,1837,
&end
#
# 120 LYS HB3 121 ARG H 5.37
&rst
ixpk= 0, nxpk= 0, iat=1788,1805, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87, &end
#
# 120 LYS HB3 122 THR H 5.21
&rst
ixpk= 0, nxpk= 0, iat=1788,1829, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71, &end
#
# 120 LYS HB3 122 THR QG2 3.39
&rst
ixpk= 0, nxpk= 0, iat=1788, -1, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57,
igr2=1835,1836,1837,
&end
#
# 120 LYS HG2 120 LYS QD 2.78
&rst
ixpk= 0, nxpk= 0, iat=1790, -1, r1= 1.30, r2= 1.80, r3= 3.12, r4= 3.62,
igr2=1793,1794,
&end
#
# 120 LYS HG2 120 LYS QE 4.13
&rst
ixpk= 0, nxpk= 0, iat=1790, -1, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,
igr2=1796,1797,
&end
#
# 120 LYS HG2 121 ARG H 4.92
&rst
ixpk= 0, nxpk= 0, iat=1790,1805, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42, &end
#
# 120 LYS HG2 122 THR QG2 4.50
&rst
ixpk= 0, nxpk= 0, iat=1790, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2=1835,1836,1837,
&end
#
# 120 LYS HG3 120 LYS QD 2.93
&rst
ixpk= 0, nxpk= 0, iat=1791, -1, r1= 1.30, r2= 1.80, r3= 3.29, r4= 3.79,
igr2=1793,1794,
&end
#
# 120 LYS HG3 120 LYS QE 4.04
&rst
ixpk= 0, nxpk= 0, iat=1791, -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
igr2=1796,1797,
&end
#
# 120 LYS HG3 122 THR QG2 4.50
&rst
ixpk= 0, nxpk= 0, iat=1791, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2=1835,1836,1837,
&end
#
# 120 LYS QD 120 LYS QE 2.48
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.12, r4= 3.62,
igr1=1793,1794,
igr2=1796,1797,
&end
#
# 120 LYS QD 121 ARG H 5.22
&rst
ixpk= 0, nxpk= 0, iat= -1,1805, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36,
igr1=1793,1794,
&end
#
# 120 LYS QE 122 THR QG2 4.53
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.11, r4= 6.61,
igr1=1796,1797,
igr2=1835,1836,1837,
&end
#
# 121 ARG H 121 ARG HE 5.08
&rst
ixpk= 0, nxpk= 0, iat=1805,1818, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58, &end
#
# 121 ARG H 121 ARG HG3 5.00
&rst
ixpk= 0, nxpk= 0, iat=1805,1813, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 121 ARG H 121 ARG QD 4.00
&rst
ixpk= 0, nxpk= 0, iat=1805, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2=1815,1816,
&end
#
# 121 ARG H 122 THR H 4.58
&rst
ixpk= 0, nxpk= 0, iat=1805,1829, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08, &end
#
# 121 ARG H 122 THR QG2 4.73
&rst
ixpk= 0, nxpk= 0, iat=1805, -1, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18,
igr2=1835,1836,1837,
&end
#
# 121 ARG H 123 VAL H 4.86
&rst
ixpk= 0, nxpk= 0, iat=1805,1843, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36, &end
#
# 121 ARG HA 121 ARG HE 5.16
&rst
ixpk= 0, nxpk= 0, iat=1807,1818, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66, &end
#
# 121 ARG HA 121 ARG QD 3.74
&rst
ixpk= 0, nxpk= 0, iat=1807, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2=1815,1816,
&end
#
# 121 ARG HA 122 THR QG2 4.92
&rst
ixpk= 0, nxpk= 0, iat=1807, -1, r1= 1.30, r2= 1.80, r3= 5.91, r4= 6.41,
igr2=1835,1836,1837,
&end
#
# 121 ARG HA 123 VAL H 5.31
&rst
ixpk= 0, nxpk= 0, iat=1807,1843, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81, &end
#
# 121 ARG HB2 121 ARG QD 4.50
&rst
ixpk= 0, nxpk= 0, iat=1809, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1815,1816,
&end
#
# 121 ARG HB3 121 ARG QD 4.50
&rst
ixpk= 0, nxpk= 0, iat=1810, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1815,1816,
&end
#
# 122 THR H 122 THR QG2 3.98
&rst
ixpk= 0, nxpk= 0, iat=1829, -1, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28,
igr2=1835,1836,1837,
&end
#
# 122 THR H 123 VAL H 4.28
&rst
ixpk= 0, nxpk= 0, iat=1829,1843, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78, &end
#
# 122 THR H 123 VAL QG1 5.50
&rst
ixpk= 0, nxpk= 0, iat=1829, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2=1849,1850,1851,1853,1854,1855,
&end
#
# 122 THR H 123 VAL QG2 4.59
&rst
ixpk= 0, nxpk= 0, iat=1829, -1, r1= 1.30, r2= 1.80, r3= 6.19, r4= 6.69,
igr2=1849,1850,1851,1853,1854,1855,
&end
#
# 122 THR HA 122 THR QG2 2.95
&rst
ixpk= 0, nxpk= 0, iat=1831, -1, r1= 1.30, r2= 1.80, r3= 3.54, r4= 4.04,
igr2=1835,1836,1837,
&end
#
# 122 THR HA 123 VAL HA 4.59
&rst
ixpk= 0, nxpk= 0, iat=1831,1845, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09, &end
#
# 122 THR HA 123 VAL QG1 4.45
&rst
ixpk= 0, nxpk= 0, iat=1831, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr2=1849,1850,1851,1853,1854,1855,
&end
#
# 122 THR HB 123 VAL H 4.48
&rst
ixpk= 0, nxpk= 0, iat=1833,1843, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98, &end
#
# 122 THR HB 123 VAL QG1 3.77
&rst
ixpk= 0, nxpk= 0, iat=1833, -1, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,
igr2=1849,1850,1851,1853,1854,1855,
&end
#
# 122 THR HB 123 VAL QG2 5.12
&rst
ixpk= 0, nxpk= 0, iat=1833, -1, r1= 1.30, r2= 1.80, r3= 6.90, r4= 7.40,
igr2=1849,1850,1851,1853,1854,1855,
&end
#
# 122 THR QG2 123 VAL H 4.28
&rst
ixpk= 0, nxpk= 0, iat= -1,1843, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
igr1=1835,1836,1837,
&end
#
# 122 THR QG2 123 VAL QG1 5.06
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.19, r4= 8.69,
igr1=1835,1836,1837,
igr2=1849,1850,1851,1853,1854,1855,
&end
#
# 122 THR QG2 123 VAL QG2 5.05
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.18, r4= 8.68,
igr1=1835,1836,1837,
igr2=1849,1850,1851,1853,1854,1855,
&end
#
# 123 VAL H 123 VAL QG1 4.31
&rst
ixpk= 0, nxpk= 0, iat=1843, -1, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31,
igr2=1849,1850,1851,1853,1854,1855,
&end
#
# 123 VAL H 123 VAL QG2 3.86
&rst
ixpk= 0, nxpk= 0, iat=1843, -1, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,
igr2=1849,1850,1851,1853,1854,1855,
&end
#
# 123 VAL H 138 ILE QG2 5.50
&rst
ixpk= 0, nxpk= 0, iat=1843, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=2056,2057,2058,
&end
#
# 123 VAL HA 123 VAL QG1 3.17
&rst
ixpk= 0, nxpk= 0, iat=1845, -1, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,
igr2=1849,1850,1851,1853,1854,1855,
&end
#
# 123 VAL HA 123 VAL QG2 3.51
&rst
ixpk= 0, nxpk= 0, iat=1845, -1, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,
igr2=1849,1850,1851,1853,1854,1855,
&end
#
# 123 VAL HA 138 ILE QG2 4.57
&rst
ixpk= 0, nxpk= 0, iat=1845, -1, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99,
igr2=2056,2057,2058,
&end
#
# 123 VAL HA 139 GLY H 4.75
&rst
ixpk= 0, nxpk= 0, iat=1845,2069, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25, &end
#
# 123 VAL HB 124 SER H 3.90
&rst
ixpk= 0, nxpk= 0, iat=1847,1859, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40, &end
#
# 123 VAL HB 124 SER HA 4.78
&rst
ixpk= 0, nxpk= 0, iat=1847,1861, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28, &end
#
# 123 VAL HB 138 ILE QG2 3.85
&rst
ixpk= 0, nxpk= 0, iat=1847, -1, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
igr2=2056,2057,2058,
&end
#
# 123 VAL HB 139 GLY H 4.17
&rst
ixpk= 0, nxpk= 0, iat=1847,2069, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67, &end
#
# 123 VAL HB 139 GLY HA2 5.19
&rst
ixpk= 0, nxpk= 0, iat=1847,2071, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69, &end
#
# 123 VAL HB 139 GLY HA3 5.07
&rst
ixpk= 0, nxpk= 0, iat=1847,2072, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57, &end
#
# 123 VAL HB 140 ALA H 5.32
&rst
ixpk= 0, nxpk= 0, iat=1847,2076, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82, &end
#
# 123 VAL QG1 124 SER H 3.84
&rst
ixpk= 0, nxpk= 0, iat= -1,1859, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68,
igr1=1849,1850,1851,1853,1854,1855,
&end
#
# 123 VAL QG1 138 ILE QG2 3.85
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.23, r4= 6.73,
igr1=1849,1850,1851,1853,1854,1855,
igr2=2056,2057,2058,
&end
#
# 123 VAL QG1 139 GLY H 4.94
&rst
ixpk= 0, nxpk= 0, iat= -1,2069, r1= 1.30, r2= 1.80, r3= 6.66, r4= 7.16,
igr1=1849,1850,1851,1853,1854,1855,
&end
#
# 123 VAL QG1 139 GLY HA2 4.80
&rst
ixpk= 0, nxpk= 0, iat= -1,2071, r1= 1.30, r2= 1.80, r3= 6.47, r4= 6.97,
igr1=1849,1850,1851,1853,1854,1855,
&end
#
# 123 VAL QG1 139 GLY HA3 3.79
&rst
ixpk= 0, nxpk= 0, iat= -1,2072, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61,
igr1=1849,1850,1851,1853,1854,1855,
&end
#
# 123 VAL QG1 140 ALA H 4.76
&rst
ixpk= 0, nxpk= 0, iat= -1,2076, r1= 1.30, r2= 1.80, r3= 6.42, r4= 6.92,
igr1=1849,1850,1851,1853,1854,1855,
&end
#
# 123 VAL QG1 140 ALA QB 4.79
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.75, r4= 8.25,
igr1=1849,1850,1851,1853,1854,1855,
igr2=2080,2081,2082,
&end
#
# 123 VAL QG2 124 SER H 4.43
&rst
ixpk= 0, nxpk= 0, iat= -1,1859, r1= 1.30, r2= 1.80, r3= 5.97, r4= 6.47,
igr1=1849,1850,1851,1853,1854,1855,
&end
#
# 123 VAL QG2 124 SER HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1861, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1849,1850,1851,1853,1854,1855,
&end
#
# 123 VAL QG2 138 ILE HA 4.84
&rst
ixpk= 0, nxpk= 0, iat= -1,2052, r1= 1.30, r2= 1.80, r3= 6.52, r4= 7.02,
igr1=1849,1850,1851,1853,1854,1855,
&end
#
# 123 VAL QG2 138 ILE QG2 3.65
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.91, r4= 6.41,
igr1=1849,1850,1851,1853,1854,1855,
igr2=2056,2057,2058,
&end
#
# 123 VAL QG2 139 GLY H 4.53
&rst
ixpk= 0, nxpk= 0, iat= -1,2069, r1= 1.30, r2= 1.80, r3= 6.11, r4= 6.61,
igr1=1849,1850,1851,1853,1854,1855,
&end
#
# 124 SER H 124 SER HB2 4.19
&rst
ixpk= 0, nxpk= 0, iat=1859,1863, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69, &end
#
# 124 SER H 125 TRP H 5.25
&rst
ixpk= 0, nxpk= 0, iat=1859,1870, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75, &end
#
# 124 SER H 138 ILE QG2 4.71
&rst
ixpk= 0, nxpk= 0, iat=1859, -1, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
igr2=2056,2057,2058,
&end
#
# 124 SER H 139 GLY H 4.03
&rst
ixpk= 0, nxpk= 0, iat=1859,2069, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53, &end
#
# 124 SER H 140 ALA QB 5.28
&rst
ixpk= 0, nxpk= 0, iat=1859, -1, r1= 1.30, r2= 1.80, r3= 6.34, r4= 6.84,
igr2=2080,2081,2082,
&end
#
# 124 SER H 141 ASP HA 4.67
&rst
ixpk= 0, nxpk= 0, iat=1859,2088, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17, &end
#
# 124 SER HA 125 TRP HD1 4.92
&rst
ixpk= 0, nxpk= 0, iat=1861,1878, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42, &end
#
# 124 SER HB2 125 TRP H 4.49
&rst
ixpk= 0, nxpk= 0, iat=1863,1870, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99, &end
#
# 124 SER HB2 141 ASP H 5.40
&rst
ixpk= 0, nxpk= 0, iat=1863,2086, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, &end
#
# 124 SER HB2 141 ASP HA 3.74
&rst
ixpk= 0, nxpk= 0, iat=1863,2088, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24, &end
#
# 124 SER HB3 125 TRP H 4.71
&rst
ixpk= 0, nxpk= 0, iat=1864,1870, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21, &end
#
# 124 SER HB3 138 ILE QG2 5.30
&rst
ixpk= 0, nxpk= 0, iat=1864, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr2=2056,2057,2058,
&end
#
# 124 SER HB3 139 GLY H 5.25
&rst
ixpk= 0, nxpk= 0, iat=1864,2069, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75, &end
#
# 124 SER HB3 141 ASP HA 3.80
&rst
ixpk= 0, nxpk= 0, iat=1864,2088, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end
#
# 124 SER HB3 141 ASP QB 4.48
&rst
ixpk= 0, nxpk= 0, iat=1864, -1, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,
igr2=2090,2091,
&end
#
# 124 SER HB3 142 ALA H 4.64
&rst
ixpk= 0, nxpk= 0, iat=1864,2098, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14, &end
#
# 125 TRP H 125 TRP HD1 3.88
&rst
ixpk= 0, nxpk= 0, iat=1870,1878, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38, &end
#
# 125 TRP H 126 SER H 4.85
&rst
ixpk= 0, nxpk= 0, iat=1870,1894, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35, &end
#
# 125 TRP H 136 VAL QG2 5.50
&rst
ixpk= 0, nxpk= 0, iat=1870, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2=2029,2030,2031,2033,2034,2035,
&end
#
# 125 TRP H 138 ILE QG2 5.50
&rst
ixpk= 0, nxpk= 0, iat=1870, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=2056,2057,2058,
&end
#
# 125 TRP H 148 TRP HE1 5.43
&rst
ixpk= 0, nxpk= 0, iat=1870,2194, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93, &end
#
# 125 TRP HA 125 TRP HD1 4.10
&rst
ixpk= 0, nxpk= 0, iat=1872,1878, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60, &end
#
# 125 TRP HA 125 TRP HE3 5.37
&rst
ixpk= 0, nxpk= 0, iat=1872,1889, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87, &end
#
# 125 TRP HA 126 SER HB3 4.68
&rst
ixpk= 0, nxpk= 0, iat=1872,1899, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18, &end
#
# 125 TRP HA 136 VAL QG2 4.66
&rst
ixpk= 0, nxpk= 0, iat=1872, -1, r1= 1.30, r2= 1.80, r3= 6.28, r4= 6.78,
igr2=2029,2030,2031,2033,2034,2035,
&end
#
# 125 TRP HA 137 SER H 5.27
&rst
ixpk= 0, nxpk= 0, iat=1872,2039, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77, &end
#
# 125 TRP HA 138 ILE H 5.50
&rst
ixpk= 0, nxpk= 0, iat=1872,2050, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 125 TRP HA 138 ILE HA 3.89
&rst
ixpk= 0, nxpk= 0, iat=1872,2052, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39, &end
#
# 125 TRP HA 138 ILE HG13 5.01
&rst
ixpk= 0, nxpk= 0, iat=1872,2061, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51, &end
#
# 125 TRP HA 138 ILE QD1 5.39
&rst
ixpk= 0, nxpk= 0, iat=1872, -1, r1= 1.30, r2= 1.80, r3= 6.47, r4= 6.97,
igr2=2063,2064,2065,
&end
#
# 125 TRP HA 138 ILE QG2 4.64
&rst
ixpk= 0, nxpk= 0, iat=1872, -1, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07,
igr2=2056,2057,2058,
&end
#
# 125 TRP HA 139 GLY H 4.72
&rst
ixpk= 0, nxpk= 0, iat=1872,2069, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, &end
#
# 125 TRP HA 148 TRP HZ2 5.03
&rst
ixpk= 0, nxpk= 0, iat=1872,2197, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53, &end
#
# 125 TRP HD1 126 SER H 4.50
&rst
ixpk= 0, nxpk= 0, iat=1878,1894, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 125 TRP HD1 136 VAL QG2 5.50
&rst
ixpk= 0, nxpk= 0, iat=1878, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2=2029,2030,2031,2033,2034,2035,
&end
#
# 125 TRP HD1 138 ILE HA 4.16
&rst
ixpk= 0, nxpk= 0, iat=1878,2052, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66, &end
#
# 125 TRP HD1 138 ILE HB 5.03
&rst
ixpk= 0, nxpk= 0, iat=1878,2054, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53, &end
#
# 125 TRP HD1 138 ILE HG12 5.18
&rst
ixpk= 0, nxpk= 0, iat=1878,2060, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68, &end
#
# 125 TRP HD1 138 ILE QD1 4.31
&rst
ixpk= 0, nxpk= 0, iat=1878, -1, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68,
igr2=2063,2064,2065,
&end
#
# 125 TRP HD1 138 ILE QG2 3.28
&rst
ixpk= 0, nxpk= 0, iat=1878, -1, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44,
igr2=2056,2057,2058,
&end
#
# 125 TRP HD1 139 GLY H 5.00
&rst
ixpk= 0, nxpk= 0, iat=1878,2069, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 125 TRP HE1 138 ILE HG12 5.42
&rst
ixpk= 0, nxpk= 0, iat=1880,2060, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92, &end
#
# 125 TRP HE1 138 ILE QD1 4.71
&rst
ixpk= 0, nxpk= 0, iat=1880, -1, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
igr2=2063,2064,2065,
&end
#
# 125 TRP HE1 138 ILE QG2 5.30
&rst
ixpk= 0, nxpk= 0, iat=1880, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr2=2056,2057,2058,
&end
#
# 125 TRP HE3 136 VAL QG1 5.23
&rst
ixpk= 0, nxpk= 0, iat=1889, -1, r1= 1.30, r2= 1.80, r3= 7.05, r4= 7.55,
igr2=2029,2030,2031,2033,2034,2035,
&end
#
# 125 TRP HE3 136 VAL QG2 4.36
&rst
ixpk= 0, nxpk= 0, iat=1889, -1, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
igr2=2029,2030,2031,2033,2034,2035,
&end
#
# 125 TRP HE3 148 TRP HH2 5.27
&rst
ixpk= 0, nxpk= 0, iat=1889,2199, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77, &end
#
# 125 TRP HE3 148 TRP HZ2 4.66
&rst
ixpk= 0, nxpk= 0, iat=1889,2197, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16, &end
#
# 125 TRP HE3 148 TRP HZ3 4.54
&rst
ixpk= 0, nxpk= 0, iat=1889,2201, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04, &end
#
# 125 TRP QB 125 TRP HE3 3.98
&rst
ixpk= 0, nxpk= 0, iat= -1,1889, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97,
igr1=1874,1875,
&end
#
# 125 TRP QB 126 SER H 4.52
&rst
ixpk= 0, nxpk= 0, iat= -1,1894, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,
igr1=1874,1875,
&end
#
# 125 TRP QB 148 TRP HE1 4.45
&rst
ixpk= 0, nxpk= 0, iat= -1,2194, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49,
igr1=1874,1875,
&end
#
# 126 SER H 126 SER HB3 4.07
&rst
ixpk= 0, nxpk= 0, iat=1894,1899, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57, &end
#
# 126 SER H 136 VAL QG2 4.20
&rst
ixpk= 0, nxpk= 0, iat=1894, -1, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
igr2=2029,2030,2031,2033,2034,2035,
&end
#
# 126 SER H 137 SER H 4.24
&rst
ixpk= 0, nxpk= 0, iat=1894,2039, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74, &end
#
# 126 SER H 137 SER HB2 5.00
&rst
ixpk= 0, nxpk= 0, iat=1894,2043, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 126 SER H 137 SER HB3 5.00
&rst
ixpk= 0, nxpk= 0, iat=1894,2044, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 126 SER H 138 ILE HA 4.58
&rst
ixpk= 0, nxpk= 0, iat=1894,2052, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08, &end
#
# 126 SER H 138 ILE QG2 4.98
&rst
ixpk= 0, nxpk= 0, iat=1894, -1, r1= 1.30, r2= 1.80, r3= 5.98, r4= 6.48,
igr2=2056,2057,2058,
&end
#
# 126 SER H 139 GLY H 5.06
&rst
ixpk= 0, nxpk= 0, iat=1894,2069, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56, &end
#
# 126 SER H 148 TRP HE1 5.50
&rst
ixpk= 0, nxpk= 0, iat=1894,2194, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 126 SER H 148 TRP HZ2 5.02
&rst
ixpk= 0, nxpk= 0, iat=1894,2197, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52, &end
#
# 126 SER HA 127 LEU HA 4.64
&rst
ixpk= 0, nxpk= 0, iat=1896,1907, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14, &end
#
# 126 SER HA 127 LEU QD2 5.50
&rst
ixpk= 0, nxpk= 0, iat=1896, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2=1914,1915,1916,1918,1919,1920,
&end
#
# 126 SER HA 142 ALA QB 4.29
&rst
ixpk= 0, nxpk= 0, iat=1896, -1, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,
igr2=2102,2103,2104,
&end
#
# 126 SER HA 146 GLY HA2 5.50
&rst
ixpk= 0, nxpk= 0, iat=1896,2155, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 126 SER HA 146 GLY HA3 5.50
&rst
ixpk= 0, nxpk= 0, iat=1896,2156, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 126 SER HA 148 TRP HD1 5.46
&rst
ixpk= 0, nxpk= 0, iat=1896,2192, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96, &end
#
# 126 SER HA 148 TRP HE1 4.18
&rst
ixpk= 0, nxpk= 0, iat=1896,2194, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68, &end
#
# 126 SER HA 148 TRP HZ2 4.35
&rst
ixpk= 0, nxpk= 0, iat=1896,2197, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85, &end
#
# 126 SER HB2 127 LEU H 4.85
&rst
ixpk= 0, nxpk= 0, iat=1898,1905, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35, &end
#
# 126 SER HB2 142 ALA H 5.00
&rst
ixpk= 0, nxpk= 0, iat=1898,2098, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 126 SER HB2 142 ALA QB 3.73
&rst
ixpk= 0, nxpk= 0, iat=1898, -1, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98,
igr2=2102,2103,2104,
&end
#
# 126 SER HB2 148 TRP HE1 5.50
&rst
ixpk= 0, nxpk= 0, iat=1898,2194, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 126 SER HB3 127 LEU H 4.58
&rst
ixpk= 0, nxpk= 0, iat=1899,1905, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08, &end
#
# 126 SER HB3 141 ASP HA 4.55
&rst
ixpk= 0, nxpk= 0, iat=1899,2088, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05, &end
#
# 126 SER HB3 142 ALA H 4.50
&rst
ixpk= 0, nxpk= 0, iat=1899,2098, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 126 SER HB3 142 ALA QB 3.81
&rst
ixpk= 0, nxpk= 0, iat=1899, -1, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
igr2=2102,2103,2104,
&end
#
# 126 SER HB3 146 GLY HA3 4.50
&rst
ixpk= 0, nxpk= 0, iat=1899,2156, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 127 LEU H 127 LEU QD2 5.23
&rst
ixpk= 0, nxpk= 0, iat=1905, -1, r1= 1.30, r2= 1.80, r3= 7.05, r4= 7.55,
igr2=1914,1915,1916,1918,1919,1920,
&end
#
# 127 LEU H 142 ALA QB 4.50
&rst
ixpk= 0, nxpk= 0, iat=1905, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2=2102,2103,2104,
&end
#
# 127 LEU H 145 SER HA 5.50
&rst
ixpk= 0, nxpk= 0, iat=1905,2144, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 127 LEU H 148 TRP HZ2 4.58
&rst
ixpk= 0, nxpk= 0, iat=1905,2197, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08, &end
#
# 127 LEU HA 127 LEU HG 4.09
&rst
ixpk= 0, nxpk= 0, iat=1907,1912, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59, &end
#
# 127 LEU HA 127 LEU QD1 3.69
&rst
ixpk= 0, nxpk= 0, iat=1907, -1, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47,
igr2=1914,1915,1916,1918,1919,1920,
&end
#
# 127 LEU HA 127 LEU QD2 3.86
&rst
ixpk= 0, nxpk= 0, iat=1907, -1, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,
igr2=1914,1915,1916,1918,1919,1920,
&end
#
# 127 LEU HA 128 ASN HA 4.96
&rst
ixpk= 0, nxpk= 0, iat=1907,1926, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46, &end
#
# 127 LEU HA 128 ASN HB2 5.20
&rst
ixpk= 0, nxpk= 0, iat=1907,1928, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70, &end
#
# 127 LEU HA 128 ASN HND1 5.23
&rst
ixpk= 0, nxpk= 0, iat=1907,1934, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73, &end
#
# 127 LEU HA 129 ASN H 4.72
&rst
ixpk= 0, nxpk= 0, iat=1907,1938, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, &end
#
# 127 LEU HA 136 VAL HA 3.69
&rst
ixpk= 0, nxpk= 0, iat=1907,2025, r1= 1.30, r2= 1.80, r3= 3.69, r4= 4.19, &end
#
# 127 LEU HA 137 SER H 5.15
&rst
ixpk= 0, nxpk= 0, iat=1907,2039, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65, &end
#
# 127 LEU HB2 128 ASN H 4.31
&rst
ixpk= 0, nxpk= 0, iat=1909,1924, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81, &end
#
# 127 LEU HB2 129 ASN H 4.87
&rst
ixpk= 0, nxpk= 0, iat=1909,1938, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37, &end
#
# 127 LEU HB2 130 ALA QB 4.22
&rst
ixpk= 0, nxpk= 0, iat=1909, -1, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,
igr2=1956,1957,1958,
&end
#
# 127 LEU HB2 144 PHE HZ 4.29
&rst
ixpk= 0, nxpk= 0, iat=1909,2134, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79, &end
#
# 127 LEU HB2 144 PHE HE 4.77
&rst
ixpk= 0, nxpk= 0, iat=1909, -1, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85,
igr2=2132,2136,
&end
#
# 127 LEU HB2 145 SER HA 4.51
&rst
ixpk= 0, nxpk= 0, iat=1909,2144, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01, &end
#
# 127 LEU HG 128 ASN H 5.44
&rst
ixpk= 0, nxpk= 0, iat=1912,1924, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94, &end
#
# 127 LEU HG 136 VAL QG2 5.50
&rst
ixpk= 0, nxpk= 0, iat=1912, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2=2029,2030,2031,2033,2034,2035,
&end
#
# 127 LEU QD1 128 ASN H 4.31
&rst
ixpk= 0, nxpk= 0, iat= -1,1924, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31,
igr1=1914,1915,1916,1918,1919,1920,
&end
#
# 127 LEU QD1 128 ASN HND1 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1934, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1914,1915,1916,1918,1919,1920,
&end
#
# 127 LEU QD1 130 ALA H 4.85
&rst
ixpk= 0, nxpk= 0, iat= -1,1952, r1= 1.30, r2= 1.80, r3= 6.54, r4= 7.04,
igr1=1914,1915,1916,1918,1919,1920,
&end
#
# 127 LEU QD1 130 ALA HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1954, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1914,1915,1916,1918,1919,1920,
&end
#
# 127 LEU QD1 134 GLU HG2 4.64
&rst
ixpk= 0, nxpk= 0, iat= -1,2000, r1= 1.30, r2= 1.80, r3= 6.25, r4= 6.75,
igr1=1914,1915,1916,1918,1919,1920,
&end
#
# 127 LEU QD1 136 VAL H 5.12
&rst
ixpk= 0, nxpk= 0, iat= -1,2023, r1= 1.30, r2= 1.80, r3= 6.90, r4= 7.40,
igr1=1914,1915,1916,1918,1919,1920,
&end
#
# 127 LEU QD1 136 VAL HA 3.73
&rst
ixpk= 0, nxpk= 0, iat= -1,2025, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,
igr1=1914,1915,1916,1918,1919,1920,
&end
#
# 127 LEU QD1 136 VAL QG2 4.28
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1=1914,1915,1916,1918,1919,1920,
igr2=2029,2030,2031,2033,2034,2035,
&end
#
# 127 LEU QD1 137 SER H 4.37
&rst
ixpk= 0, nxpk= 0, iat= -1,2039, r1= 1.30, r2= 1.80, r3= 5.89, r4= 6.39,
igr1=1914,1915,1916,1918,1919,1920,
&end
#
# 127 LEU QD1 144 PHE HZ 5.30
&rst
ixpk= 0, nxpk= 0, iat= -1,2134, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
igr1=1914,1915,1916,1918,1919,1920,
&end
#
# 127 LEU QD1 148 TRP HH2 4.40
&rst
ixpk= 0, nxpk= 0, iat= -1,2199, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43,
igr1=1914,1915,1916,1918,1919,1920,
&end
#
# 127 LEU QD1 148 TRP HZ2 4.78
&rst
ixpk= 0, nxpk= 0, iat= -1,2197, r1= 1.30, r2= 1.80, r3= 6.44, r4= 6.94,
igr1=1914,1915,1916,1918,1919,1920,
&end
#
# 127 LEU QD2 128 ASN H 4.53
&rst
ixpk= 0, nxpk= 0, iat= -1,1924, r1= 1.30, r2= 1.80, r3= 6.11, r4= 6.61,
igr1=1914,1915,1916,1918,1919,1920,
&end
#
# 127 LEU QD2 130 ALA H 4.59
&rst
ixpk= 0, nxpk= 0, iat= -1,1952, r1= 1.30, r2= 1.80, r3= 6.19, r4= 6.69,
igr1=1914,1915,1916,1918,1919,1920,
&end
#
# 127 LEU QD2 130 ALA HA 4.59
&rst
ixpk= 0, nxpk= 0, iat= -1,1954, r1= 1.30, r2= 1.80, r3= 6.19, r4= 6.69,
igr1=1914,1915,1916,1918,1919,1920,
&end
#
# 127 LEU QD2 136 VAL QG2 4.48
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.14, r4= 8.64,
igr1=1914,1915,1916,1918,1919,1920,
igr2=2029,2030,2031,2033,2034,2035,
&end
#
# 127 LEU QD2 148 TRP HH2 4.01
&rst
ixpk= 0, nxpk= 0, iat= -1,2199, r1= 1.30, r2= 1.80, r3= 5.41, r4= 5.91,
igr1=1914,1915,1916,1918,1919,1920,
&end
#
# 127 LEU QD2 148 TRP HZ2 3.99
&rst
ixpk= 0, nxpk= 0, iat= -1,2197, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88,
igr1=1914,1915,1916,1918,1919,1920,
&end
#
# 128 ASN H 128 ASN HB2 3.67
&rst
ixpk= 0, nxpk= 0, iat=1924,1928, r1= 1.30, r2= 1.80, r3= 3.67, r4= 4.17, &end
#
# 128 ASN H 128 ASN HB3 3.61
&rst
ixpk= 0, nxpk= 0, iat=1924,1929, r1= 1.30, r2= 1.80, r3= 3.61, r4= 4.11, &end
#
# 128 ASN H 128 ASN HND1 4.33
&rst
ixpk= 0, nxpk= 0, iat=1924,1934, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83, &end
#
# 128 ASN H 128 ASN HND2 4.43
&rst
ixpk= 0, nxpk= 0, iat=1924,1933, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93, &end
#
# 128 ASN H 129 ASN H 3.92
&rst
ixpk= 0, nxpk= 0, iat=1924,1938, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42, &end
#
# 128 ASN H 130 ALA H 4.58
&rst
ixpk= 0, nxpk= 0, iat=1924,1952, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08, &end
#
# 128 ASN H 131 THR H 5.06
&rst
ixpk= 0, nxpk= 0, iat=1924,1962, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56, &end
#
# 128 ASN HB2 128 ASN HND1 3.44
&rst
ixpk= 0, nxpk= 0, iat=1928,1934, r1= 1.30, r2= 1.80, r3= 3.44, r4= 3.94, &end
#
# 128 ASN HB2 128 ASN HND2 3.55
&rst
ixpk= 0, nxpk= 0, iat=1928,1933, r1= 1.30, r2= 1.80, r3= 3.55, r4= 4.05, &end
#
# 128 ASN HB2 129 ASN H 3.91
&rst
ixpk= 0, nxpk= 0, iat=1928,1938, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41, &end
#
# 128 ASN HB2 130 ALA H 5.11
&rst
ixpk= 0, nxpk= 0, iat=1928,1952, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61, &end
#
# 128 ASN HB3 128 ASN HND1 4.05
&rst
ixpk= 0, nxpk= 0, iat=1929,1934, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55, &end
#
# 128 ASN HB3 129 ASN H 3.84
&rst
ixpk= 0, nxpk= 0, iat=1929,1938, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34, &end
#
# 128 ASN HB3 129 ASN HND1 5.02
&rst
ixpk= 0, nxpk= 0, iat=1929,1948, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52, &end
#
# 128 ASN HND1 129 ASN H 5.50
&rst
ixpk= 0, nxpk= 0, iat=1934,1938, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 128 ASN HND1 137 SER H 5.50
&rst
ixpk= 0, nxpk= 0, iat=1934,2039, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 128 ASN HND1 137 SER HB2 5.00
&rst
ixpk= 0, nxpk= 0, iat=1934,2043, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 128 ASN HND1 137 SER HB3 5.00
&rst
ixpk= 0, nxpk= 0, iat=1934,2044, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 128 ASN HND2 129 ASN H 5.50
&rst
ixpk= 0, nxpk= 0, iat=1933,1938, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 128 ASN HND2 136 VAL HA 4.18
&rst
ixpk= 0, nxpk= 0, iat=1933,2025, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68, &end
#
# 128 ASN HND2 137 SER HB2 5.00
&rst
ixpk= 0, nxpk= 0, iat=1933,2043, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 128 ASN HND2 137 SER HB3 5.00
&rst
ixpk= 0, nxpk= 0, iat=1933,2044, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 129 ASN H 129 ASN HB2 3.80
&rst
ixpk= 0, nxpk= 0, iat=1938,1942, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end
#
# 129 ASN H 129 ASN HND1 4.61
&rst
ixpk= 0, nxpk= 0, iat=1938,1948, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11, &end
#
# 129 ASN H 129 ASN HND2 4.53
&rst
ixpk= 0, nxpk= 0, iat=1938,1947, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03, &end
#
# 129 ASN H 130 ALA H 4.22
&rst
ixpk= 0, nxpk= 0, iat=1938,1952, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72, &end
#
# 129 ASN H 130 ALA HA 4.81
&rst
ixpk= 0, nxpk= 0, iat=1938,1954, r1= 1.30, r2= 1.80, r3= 4.81, r4= 5.31, &end
#
# 129 ASN H 130 ALA QB 4.87
&rst
ixpk= 0, nxpk= 0, iat=1938, -1, r1= 1.30, r2= 1.80, r3= 5.85, r4= 6.35,
igr2=1956,1957,1958,
&end
#
# 129 ASN H 131 THR H 4.66
&rst
ixpk= 0, nxpk= 0, iat=1938,1962, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16, &end
#
# 129 ASN H 131 THR QG2 4.79
&rst
ixpk= 0, nxpk= 0, iat=1938, -1, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25,
igr2=1968,1969,1970,
&end
#
# 129 ASN HA 129 ASN HND2 6.00
&rst
ixpk= 0, nxpk= 0, iat=1940,1947, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 129 ASN HA 130 ALA QB 4.99
&rst
ixpk= 0, nxpk= 0, iat=1940, -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr2=1956,1957,1958,
&end
#
# 129 ASN HA 131 THR QG2 4.75
&rst
ixpk= 0, nxpk= 0, iat=1940, -1, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,
igr2=1968,1969,1970,
&end
#
# 129 ASN HA 144 PHE HZ 4.00
&rst
ixpk= 0, nxpk= 0, iat=1940,2134, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 129 ASN HA 144 PHE HE 4.00
&rst
ixpk= 0, nxpk= 0, iat=1940, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2=2132,2136,
&end
#
# 129 ASN HB2 129 ASN HND1 3.65
&rst
ixpk= 0, nxpk= 0, iat=1942,1948, r1= 1.30, r2= 1.80, r3= 3.65, r4= 4.15, &end
#
# 129 ASN HB2 130 ALA QB 5.44
&rst
ixpk= 0, nxpk= 0, iat=1942, -1, r1= 1.30, r2= 1.80, r3= 6.53, r4= 7.03,
igr2=1956,1957,1958,
&end
#
# 129 ASN HB2 131 THR QG2 4.03
&rst
ixpk= 0, nxpk= 0, iat=1942, -1, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,
igr2=1968,1969,1970,
&end
#
# 129 ASN HB3 130 ALA H 5.16
&rst
ixpk= 0, nxpk= 0, iat=1943,1952, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66, &end
#
# 129 ASN HB3 131 THR QG2 4.01
&rst
ixpk= 0, nxpk= 0, iat=1943, -1, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32,
igr2=1968,1969,1970,
&end
#
# 129 ASN HB3 144 PHE HZ 4.81
&rst
ixpk= 0, nxpk= 0, iat=1943,2134, r1= 1.30, r2= 1.80, r3= 4.81, r4= 5.31, &end
#
# 129 ASN HND1 130 ALA H 5.44
&rst
ixpk= 0, nxpk= 0, iat=1948,1952, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94, &end
#
# 129 ASN HND1 131 THR QG2 4.98
&rst
ixpk= 0, nxpk= 0, iat=1948, -1, r1= 1.30, r2= 1.80, r3= 5.98, r4= 6.48,
igr2=1968,1969,1970,
&end
#
# 129 ASN HND2 131 THR QG2 5.09
&rst
ixpk= 0, nxpk= 0, iat=1947, -1, r1= 1.30, r2= 1.80, r3= 6.11, r4= 6.61,
igr2=1968,1969,1970,
&end
#
# 130 ALA H 130 ALA QB 4.18
&rst
ixpk= 0, nxpk= 0, iat=1952, -1, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52,
igr2=1956,1957,1958,
&end
#
# 130 ALA H 131 THR H 4.21
&rst
ixpk= 0, nxpk= 0, iat=1952,1962, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71, &end
#
# 130 ALA H 131 THR QG2 4.85
&rst
ixpk= 0, nxpk= 0, iat=1952, -1, r1= 1.30, r2= 1.80, r3= 5.82, r4= 6.32,
igr2=1968,1969,1970,
&end
#
# 130 ALA HA 144 PHE HE 4.53
&rst
ixpk= 0, nxpk= 0, iat=1954, -1, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,
igr2=2132,2136,
&end
#
# 130 ALA QB 131 THR H 4.40
&rst
ixpk= 0, nxpk= 0, iat= -1,1962, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
igr1=1956,1957,1958,
&end
#
# 130 ALA QB 144 PHE HZ 4.53
&rst
ixpk= 0, nxpk= 0, iat= -1,2134, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94,
igr1=1956,1957,1958,
&end
#
# 130 ALA QB 144 PHE HD 3.96
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
igr1=1956,1957,1958,
igr2=2130,2138,
&end
#
# 130 ALA QB 144 PHE HE 3.83
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
igr1=1956,1957,1958,
igr2=2132,2136,
&end
#
# 131 THR H 132 ALA H 4.73
&rst
ixpk= 0, nxpk= 0, iat=1962,1976, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23, &end
#
# 131 THR H 134 GLU H 5.27
&rst
ixpk= 0, nxpk= 0, iat=1962,1993, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77, &end
#
# 131 THR H 134 GLU HB2 4.30
&rst
ixpk= 0, nxpk= 0, iat=1962,1997, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 131 THR HA 131 THR QG2 4.00
&rst
ixpk= 0, nxpk= 0, iat=1964, -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr2=1968,1969,1970,
&end
#
# 131 THR HA 132 ALA HA 5.19
&rst
ixpk= 0, nxpk= 0, iat=1964,1978, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69, &end
#
# 131 THR HA 132 ALA QB 5.05
&rst
ixpk= 0, nxpk= 0, iat=1964, -1, r1= 1.30, r2= 1.80, r3= 6.06, r4= 6.56,
igr2=1980,1981,1982,
&end
#
# 131 THR HB 132 ALA H 3.82
&rst
ixpk= 0, nxpk= 0, iat=1966,1976, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32, &end
#
# 131 THR HB 132 ALA HA 5.24
&rst
ixpk= 0, nxpk= 0, iat=1966,1978, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74, &end
#
# 131 THR HB 132 ALA QB 4.62
&rst
ixpk= 0, nxpk= 0, iat=1966, -1, r1= 1.30, r2= 1.80, r3= 5.55, r4= 6.05,
igr2=1980,1981,1982,
&end
#
# 131 THR QG2 132 ALA H 3.79
&rst
ixpk= 0, nxpk= 0, iat= -1,1976, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05,
igr1=1968,1969,1970,
&end
#
# 132 ALA H 132 ALA QB 3.20
&rst
ixpk= 0, nxpk= 0, iat=1976, -1, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34,
igr2=1980,1981,1982,
&end
#
# 132 ALA HA 134 GLU H 5.34
&rst
ixpk= 0, nxpk= 0, iat=1978,1993, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84, &end
#
# 132 ALA HA 134 GLU HB2 5.13
&rst
ixpk= 0, nxpk= 0, iat=1978,1997, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63, &end
#
# 132 ALA QB 133 GLY H 4.53
&rst
ixpk= 0, nxpk= 0, iat= -1,1986, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94,
igr1=1980,1981,1982,
&end
#
# 132 ALA QB 133 GLY HA2 5.45
&rst
ixpk= 0, nxpk= 0, iat= -1,1988, r1= 1.30, r2= 1.80, r3= 6.55, r4= 7.05,
igr1=1980,1981,1982,
&end
#
# 132 ALA QB 134 GLU H 4.62
&rst
ixpk= 0, nxpk= 0, iat= -1,1993, r1= 1.30, r2= 1.80, r3= 5.55, r4= 6.05,
igr1=1980,1981,1982,
&end
#
# 133 GLY H 134 GLU H 4.05
&rst
ixpk= 0, nxpk= 0, iat=1986,1993, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55, &end
#
# 133 GLY H 134 GLU HB2 4.96
&rst
ixpk= 0, nxpk= 0, iat=1986,1997, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46, &end
#
# 134 GLU H 134 GLU HB2 3.48
&rst
ixpk= 0, nxpk= 0, iat=1993,1997, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98, &end
#
# 134 GLU H 134 GLU HG2 4.40
&rst
ixpk= 0, nxpk= 0, iat=1993,2000, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90, &end
#
# 134 GLU H 134 GLU HG3 4.28
&rst
ixpk= 0, nxpk= 0, iat=1993,2001, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78, &end
#
# 134 GLU HA 134 GLU HG3 5.00
&rst
ixpk= 0, nxpk= 0, iat=1995,2001, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 134 GLU HA 135 GLU H 3.57
&rst
ixpk= 0, nxpk= 0, iat=1995,2008, r1= 1.30, r2= 1.80, r3= 3.57, r4= 4.07, &end
#
# 134 GLU HA 135 GLU HG2 5.12
&rst
ixpk= 0, nxpk= 0, iat=1995,2015, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62, &end
#
# 134 GLU HG2 135 GLU H 4.57
&rst
ixpk= 0, nxpk= 0, iat=2000,2008, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07, &end
#
# 134 GLU HG3 135 GLU H 4.09
&rst
ixpk= 0, nxpk= 0, iat=2001,2008, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59, &end
#
# 135 GLU H 135 GLU HB3 3.75
&rst
ixpk= 0, nxpk= 0, iat=2008,2013, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25, &end
#
# 135 GLU H 135 GLU HG2 4.17
&rst
ixpk= 0, nxpk= 0, iat=2008,2015, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67, &end
#
# 135 GLU H 135 GLU HG3 4.40
&rst
ixpk= 0, nxpk= 0, iat=2008,2016, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90, &end
#
# 135 GLU HA 136 VAL QG1 4.23
&rst
ixpk= 0, nxpk= 0, iat=2010, -1, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,
igr2=2029,2030,2031,2033,2034,2035,
&end
#
# 135 GLU HB3 136 VAL H 4.58
&rst
ixpk= 0, nxpk= 0, iat=2013,2023, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08, &end
#
# 135 GLU HG2 136 VAL H 5.11
&rst
ixpk= 0, nxpk= 0, iat=2015,2023, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61, &end
#
# 135 GLU HG3 136 VAL H 5.50
&rst
ixpk= 0, nxpk= 0, iat=2016,2023, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 136 VAL H 136 VAL QG1 3.68
&rst
ixpk= 0, nxpk= 0, iat=2023, -1, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,
igr2=2029,2030,2031,2033,2034,2035,
&end
#
# 136 VAL H 136 VAL QG2 4.41
&rst
ixpk= 0, nxpk= 0, iat=2023, -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr2=2029,2030,2031,2033,2034,2035,
&end
#
# 136 VAL H 137 SER H 5.04
&rst
ixpk= 0, nxpk= 0, iat=2023,2039, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54, &end
#
# 136 VAL HA 136 VAL QG1 3.47
&rst
ixpk= 0, nxpk= 0, iat=2025, -1, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,
igr2=2029,2030,2031,2033,2034,2035,
&end
#
# 136 VAL HA 136 VAL QG2 3.80
&rst
ixpk= 0, nxpk= 0, iat=2025, -1, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
igr2=2029,2030,2031,2033,2034,2035,
&end
#
# 136 VAL HA 137 SER H 3.19
&rst
ixpk= 0, nxpk= 0, iat=2025,2039, r1= 1.30, r2= 1.80, r3= 3.19, r4= 3.69, &end
#
# 136 VAL QG1 137 SER H 4.25
&rst
ixpk= 0, nxpk= 0, iat= -1,2039, r1= 1.30, r2= 1.80, r3= 5.73, r4= 6.23,
igr1=2029,2030,2031,2033,2034,2035,
&end
#
# 136 VAL QG1 148 TRP HH2 3.89
&rst
ixpk= 0, nxpk= 0, iat= -1,2199, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,
igr1=2029,2030,2031,2033,2034,2035,
&end
#
# 136 VAL QG2 137 SER H 3.80
&rst
ixpk= 0, nxpk= 0, iat= -1,2039, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
igr1=2029,2030,2031,2033,2034,2035,
&end
#
# 136 VAL QG2 137 SER HA 5.02
&rst
ixpk= 0, nxpk= 0, iat= -1,2041, r1= 1.30, r2= 1.80, r3= 6.77, r4= 7.27,
igr1=2029,2030,2031,2033,2034,2035,
&end
#
# 136 VAL QG2 137 SER HB2 5.02
&rst
ixpk= 0, nxpk= 0, iat= -1,2043, r1= 1.30, r2= 1.80, r3= 6.77, r4= 7.27,
igr1=2029,2030,2031,2033,2034,2035,
&end
#
# 136 VAL QG2 137 SER HB3 4.89
&rst
ixpk= 0, nxpk= 0, iat= -1,2044, r1= 1.30, r2= 1.80, r3= 6.59, r4= 7.09,
igr1=2029,2030,2031,2033,2034,2035,
&end
#
# 136 VAL QG2 138 ILE H 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,2050, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=2029,2030,2031,2033,2034,2035,
&end
#
# 136 VAL QG2 148 TRP HE1 4.86
&rst
ixpk= 0, nxpk= 0, iat= -1,2194, r1= 1.30, r2= 1.80, r3= 6.55, r4= 7.05,
igr1=2029,2030,2031,2033,2034,2035,
&end
#
# 136 VAL QG2 148 TRP HH2 4.10
&rst
ixpk= 0, nxpk= 0, iat= -1,2199, r1= 1.30, r2= 1.80, r3= 5.53, r4= 6.03,
igr1=2029,2030,2031,2033,2034,2035,
&end
#
# 136 VAL QG2 148 TRP HZ2 3.61
&rst
ixpk= 0, nxpk= 0, iat= -1,2197, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37,
igr1=2029,2030,2031,2033,2034,2035,
&end
#
# 137 SER H 137 SER HB2 3.63
&rst
ixpk= 0, nxpk= 0, iat=2039,2043, r1= 1.30, r2= 1.80, r3= 3.63, r4= 4.13, &end
#
# 137 SER H 137 SER HB3 3.62
&rst
ixpk= 0, nxpk= 0, iat=2039,2044, r1= 1.30, r2= 1.80, r3= 3.62, r4= 4.12, &end
#
# 137 SER H 138 ILE H 4.68
&rst
ixpk= 0, nxpk= 0, iat=2039,2050, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18, &end
#
# 137 SER H 148 TRP HZ2 5.11
&rst
ixpk= 0, nxpk= 0, iat=2039,2197, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61, &end
#
# 137 SER HA 137 SER HB3 3.00
&rst
ixpk= 0, nxpk= 0, iat=2041,2044, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 137 SER HA 138 ILE HA 5.20
&rst
ixpk= 0, nxpk= 0, iat=2041,2052, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70, &end
#
# 137 SER HA 138 ILE HB 5.30
&rst
ixpk= 0, nxpk= 0, iat=2041,2054, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, &end
#
# 137 SER HA 138 ILE HG13 5.15
&rst
ixpk= 0, nxpk= 0, iat=2041,2061, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65, &end
#
# 137 SER HB2 138 ILE H 3.90
&rst
ixpk= 0, nxpk= 0, iat=2043,2050, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40, &end
#
# 137 SER HB3 138 ILE H 4.05
&rst
ixpk= 0, nxpk= 0, iat=2044,2050, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55, &end
#
# 138 ILE H 138 ILE HB 3.90
&rst
ixpk= 0, nxpk= 0, iat=2050,2054, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40, &end
#
# 138 ILE H 138 ILE HG12 5.50
&rst
ixpk= 0, nxpk= 0, iat=2050,2060, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 138 ILE H 138 ILE QD1 4.71
&rst
ixpk= 0, nxpk= 0, iat=2050, -1, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
igr2=2063,2064,2065,
&end
#
# 138 ILE H 138 ILE QG2 4.23
&rst
ixpk= 0, nxpk= 0, iat=2050, -1, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,
igr2=2056,2057,2058,
&end
#
# 138 ILE HA 138 ILE QD1 4.60
&rst
ixpk= 0, nxpk= 0, iat=2052, -1, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02,
igr2=2063,2064,2065,
&end
#
# 138 ILE HA 138 ILE QG2 3.91
&rst
ixpk= 0, nxpk= 0, iat=2052, -1, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,
igr2=2056,2057,2058,
&end
#
# 138 ILE HB 139 GLY H 5.23
&rst
ixpk= 0, nxpk= 0, iat=2054,2069, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73, &end
#
# 138 ILE QG2 139 GLY H 3.92
&rst
ixpk= 0, nxpk= 0, iat= -1,2069, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
igr1=2056,2057,2058,
&end
#
# 138 ILE QG2 139 GLY HA2 4.57
&rst
ixpk= 0, nxpk= 0, iat= -1,2071, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99,
igr1=2056,2057,2058,
&end
#
# 138 ILE QG2 139 GLY HA3 5.46
&rst
ixpk= 0, nxpk= 0, iat= -1,2072, r1= 1.30, r2= 1.80, r3= 6.56, r4= 7.06,
igr1=2056,2057,2058,
&end
#
# 138 ILE QG2 140 ALA H 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,2076, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=2056,2057,2058,
&end
#
# 139 GLY H 140 ALA QB 5.50
&rst
ixpk= 0, nxpk= 0, iat=2069, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=2080,2081,2082,
&end
#
# 139 GLY HA2 140 ALA H 3.42
&rst
ixpk= 0, nxpk= 0, iat=2071,2076, r1= 1.30, r2= 1.80, r3= 3.42, r4= 3.92, &end
#
# 139 GLY HA2 140 ALA QB 5.00
&rst
ixpk= 0, nxpk= 0, iat=2071, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr2=2080,2081,2082,
&end
#
# 139 GLY HA3 140 ALA H 3.49
&rst
ixpk= 0, nxpk= 0, iat=2072,2076, r1= 1.30, r2= 1.80, r3= 3.49, r4= 3.99, &end
#
# 139 GLY HA3 140 ALA QB 5.00
&rst
ixpk= 0, nxpk= 0, iat=2072, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr2=2080,2081,2082,
&end
#
# 140 ALA H 140 ALA QB 2.76
&rst
ixpk= 0, nxpk= 0, iat=2076, -1, r1= 1.30, r2= 1.80, r3= 3.31, r4= 3.81,
igr2=2080,2081,2082,
&end
#
# 140 ALA QB 141 ASP H 3.44
&rst
ixpk= 0, nxpk= 0, iat= -1,2086, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63,
igr1=2080,2081,2082,
&end
#
# 140 ALA QB 141 ASP HA 4.74
&rst
ixpk= 0, nxpk= 0, iat= -1,2088, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
igr1=2080,2081,2082,
&end
#
# 140 ALA QB 141 ASP QB 4.06
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
igr1=2080,2081,2082,
igr2=2090,2091,
&end
#
# 141 ASP H 141 ASP QB 3.20
&rst
ixpk= 0, nxpk= 0, iat=2086, -1, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09,
igr2=2090,2091,
&end
#
# 141 ASP H 142 ALA H 4.46
&rst
ixpk= 0, nxpk= 0, iat=2086,2098, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96, &end
#
# 141 ASP HA 146 GLY HA2 4.45
&rst
ixpk= 0, nxpk= 0, iat=2088,2155, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95, &end
#
# 141 ASP QB 142 ALA H 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1,2098, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=2090,2091,
&end
#
# 142 ALA H 142 ALA QB 3.36
&rst
ixpk= 0, nxpk= 0, iat=2098, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr2=2102,2103,2104,
&end
#
# 142 ALA H 143 THR H 4.66
&rst
ixpk= 0, nxpk= 0, iat=2098,2108, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16, &end
#
# 142 ALA H 146 GLY H 4.81
&rst
ixpk= 0, nxpk= 0, iat=2098,2153, r1= 1.30, r2= 1.80, r3= 4.81, r4= 5.31, &end
#
# 142 ALA H 146 GLY HA2 4.33
&rst
ixpk= 0, nxpk= 0, iat=2098,2155, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83, &end
#
# 142 ALA H 146 GLY HA3 4.43
&rst
ixpk= 0, nxpk= 0, iat=2098,2156, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93, &end
#
# 142 ALA HA 143 THR H 3.25
&rst
ixpk= 0, nxpk= 0, iat=2100,2108, r1= 1.30, r2= 1.80, r3= 3.25, r4= 3.75, &end
#
# 142 ALA HA 143 THR HB 4.52
&rst
ixpk= 0, nxpk= 0, iat=2100,2112, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02, &end
#
# 142 ALA HA 143 THR QG2 4.18
&rst
ixpk= 0, nxpk= 0, iat=2100, -1, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52,
igr2=2114,2115,2116,
&end
#
# 142 ALA HA 144 PHE H 5.21
&rst
ixpk= 0, nxpk= 0, iat=2100,2122, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71, &end
#
# 142 ALA HA 146 GLY H 5.31
&rst
ixpk= 0, nxpk= 0, iat=2100,2153, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81, &end
#
# 142 ALA HA 146 GLY HA2 5.38
&rst
ixpk= 0, nxpk= 0, iat=2100,2155, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88, &end
#
# 142 ALA HA 146 GLY HA3 5.33
&rst
ixpk= 0, nxpk= 0, iat=2100,2156, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83, &end
#
# 142 ALA QB 143 THR H 3.43
&rst
ixpk= 0, nxpk= 0, iat= -1,2108, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62,
igr1=2102,2103,2104,
&end
#
# 142 ALA QB 143 THR HA 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1,2110, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1=2102,2103,2104,
&end
#
# 142 ALA QB 143 THR HB 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,2112, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=2102,2103,2104,
&end
#
# 142 ALA QB 143 THR QG2 4.39
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.33, r4= 6.83,
igr1=2102,2103,2104,
igr2=2114,2115,2116,
&end
#
# 142 ALA QB 144 PHE HE 4.45
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1=2102,2103,2104,
igr2=2132,2136,
&end
#
# 142 ALA QB 145 SER H 4.25
&rst
ixpk= 0, nxpk= 0, iat= -1,2142, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
igr1=2102,2103,2104,
&end
#
# 142 ALA QB 146 GLY H 3.86
&rst
ixpk= 0, nxpk= 0, iat= -1,2153, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,
igr1=2102,2103,2104,
&end
#
# 142 ALA QB 146 GLY HA2 4.29
&rst
ixpk= 0, nxpk= 0, iat= -1,2155, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,
igr1=2102,2103,2104,
&end
#
# 142 ALA QB 146 GLY HA3 4.08
&rst
ixpk= 0, nxpk= 0, iat= -1,2156, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,
igr1=2102,2103,2104,
&end
#
# 143 THR H 143 THR HB 3.30
&rst
ixpk= 0, nxpk= 0, iat=2108,2112, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 143 THR H 143 THR QG2 3.84
&rst
ixpk= 0, nxpk= 0, iat=2108, -1, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,
igr2=2114,2115,2116,
&end
#
# 143 THR H 144 PHE H 4.76
&rst
ixpk= 0, nxpk= 0, iat=2108,2122, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26, &end
#
# 143 THR H 144 PHE HD 5.48
&rst
ixpk= 0, nxpk= 0, iat=2108, -1, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65,
igr2=2130,2138,
&end
#
# 143 THR H 146 GLY H 5.50
&rst
ixpk= 0, nxpk= 0, iat=2108,2153, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 143 THR HA 143 THR QG2 3.56
&rst
ixpk= 0, nxpk= 0, iat=2110, -1, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78,
igr2=2114,2115,2116,
&end
#
# 143 THR HA 144 PHE H 3.51
&rst
ixpk= 0, nxpk= 0, iat=2110,2122, r1= 1.30, r2= 1.80, r3= 3.51, r4= 4.01, &end
#
# 143 THR HB 144 PHE H 4.43
&rst
ixpk= 0, nxpk= 0, iat=2112,2122, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93, &end
#
# 143 THR QG2 144 PHE H 3.57
&rst
ixpk= 0, nxpk= 0, iat= -1,2122, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79,
igr1=2114,2115,2116,
&end
#
# 143 THR QG2 144 PHE HB2 5.32
&rst
ixpk= 0, nxpk= 0, iat= -1,2126, r1= 1.30, r2= 1.80, r3= 6.39, r4= 6.89,
igr1=2114,2115,2116,
&end
#
# 143 THR QG2 144 PHE HB3 4.91
&rst
ixpk= 0, nxpk= 0, iat= -1,2127, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,
igr1=2114,2115,2116,
&end
#
# 143 THR QG2 144 PHE HD 3.57
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.81, r4= 5.31,
igr1=2114,2115,2116,
igr2=2130,2138,
&end
#
# 143 THR QG2 144 PHE HE 3.79
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61,
igr1=2114,2115,2116,
igr2=2132,2136,
&end
#
# 143 THR QG2 145 SER H 5.03
&rst
ixpk= 0, nxpk= 0, iat= -1,2142, r1= 1.30, r2= 1.80, r3= 6.04, r4= 6.54,
igr1=2114,2115,2116,
&end
#
# 143 THR QG2 146 GLY H 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,2153, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=2114,2115,2116,
&end
#
# 144 PHE H 144 PHE HD 3.77
&rst
ixpk= 0, nxpk= 0, iat=2122, -1, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73,
igr2=2130,2138,
&end
#
# 144 PHE HA 144 PHE HD 4.16
&rst
ixpk= 0, nxpk= 0, iat=2124, -1, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,
igr2=2130,2138,
&end
#
# 144 PHE HB2 145 SER H 4.79
&rst
ixpk= 0, nxpk= 0, iat=2126,2142, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29, &end
#
# 144 PHE HB3 145 SER H 4.52
&rst
ixpk= 0, nxpk= 0, iat=2127,2142, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02, &end
#
# 144 PHE HZ 145 SER HB3 4.62
&rst
ixpk= 0, nxpk= 0, iat=2134,2147, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12, &end
#
# 144 PHE HD 145 SER H 4.22
&rst
ixpk= 0, nxpk= 0, iat= -1,2142, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,
igr1=2130,2138,
&end
#
# 144 PHE HE 145 SER H 4.23
&rst
ixpk= 0, nxpk= 0, iat= -1,2142, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25,
igr1=2132,2136,
&end
#
# 144 PHE HE 145 SER HA 4.48
&rst
ixpk= 0, nxpk= 0, iat= -1,2144, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,
igr1=2132,2136,
&end
#
# 144 PHE HE 145 SER HB3 3.98
&rst
ixpk= 0, nxpk= 0, iat= -1,2147, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97,
igr1=2132,2136,
&end
#
# 145 SER H 146 GLY H 4.11
&rst
ixpk= 0, nxpk= 0, iat=2142,2153, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61, &end
#
# 145 SER H 146 GLY HA3 5.04
&rst
ixpk= 0, nxpk= 0, iat=2142,2156, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54, &end
#
# 145 SER HA 147 ARG H 4.80
&rst
ixpk= 0, nxpk= 0, iat=2144,2160, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, &end
#
# 146 GLY HA3 148 TRP HE1 5.50
&rst
ixpk= 0, nxpk= 0, iat=2156,2194, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 147 ARG H 147 ARG QD 4.66
&rst
ixpk= 0, nxpk= 0, iat=2160, -1, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73,
igr2=2170,2171,
&end
#
# 147 ARG HA 147 ARG QD 4.89
&rst
ixpk= 0, nxpk= 0, iat=2162, -1, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99,
igr2=2170,2171,
&end
#
# 147 ARG HA 148 TRP HD1 4.35
&rst
ixpk= 0, nxpk= 0, iat=2162,2192, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85, &end
#
# 148 TRP H 148 TRP HD1 4.26
&rst
ixpk= 0, nxpk= 0, iat=2184,2192, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76, &end
#
# 148 TRP H 149 VAL QG2 5.50
&rst
ixpk= 0, nxpk= 0, iat=2184, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2=2214,2215,2216,2218,2219,2220,
&end
#
# 148 TRP HA 148 TRP HD1 4.71
&rst
ixpk= 0, nxpk= 0, iat=2186,2192, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21, &end
#
# 148 TRP HA 148 TRP HE3 4.66
&rst
ixpk= 0, nxpk= 0, iat=2186,2203, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16, &end
#
# 148 TRP HA 149 VAL HA 4.50
&rst
ixpk= 0, nxpk= 0, iat=2186,2210, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 148 TRP HA 149 VAL HB 5.03
&rst
ixpk= 0, nxpk= 0, iat=2186,2212, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53, &end
#
# 148 TRP HA 149 VAL QG2 5.50
&rst
ixpk= 0, nxpk= 0, iat=2186, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2=2214,2215,2216,2218,2219,2220,
&end
#
# 148 TRP HB2 148 TRP HE3 4.13
&rst
ixpk= 0, nxpk= 0, iat=2188,2203, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63, &end
#
# 148 TRP HB2 149 VAL H 4.72
&rst
ixpk= 0, nxpk= 0, iat=2188,2208, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, &end
#
# 148 TRP HB2 149 VAL QG2 5.34
&rst
ixpk= 0, nxpk= 0, iat=2188, -1, r1= 1.30, r2= 1.80, r3= 7.20, r4= 7.70,
igr2=2214,2215,2216,2218,2219,2220,
&end
#
# 148 TRP HB2 150 ILE QD1 4.99
&rst
ixpk= 0, nxpk= 0, iat=2188, -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr2=2237,2238,2239,
&end
#
# 148 TRP HB3 149 VAL H 4.77
&rst
ixpk= 0, nxpk= 0, iat=2189,2208, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27, &end
#
# 148 TRP HB3 150 ILE QD1 5.35
&rst
ixpk= 0, nxpk= 0, iat=2189, -1, r1= 1.30, r2= 1.80, r3= 6.43, r4= 6.93,
igr2=2237,2238,2239,
&end
#
# 148 TRP HE3 149 VAL H 4.33
&rst
ixpk= 0, nxpk= 0, iat=2203,2208, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83, &end
#
# 148 TRP HE3 150 ILE QD1 5.50
&rst
ixpk= 0, nxpk= 0, iat=2203, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=2237,2238,2239,
&end
#
# 149 VAL H 149 VAL QG1 4.19
&rst
ixpk= 0, nxpk= 0, iat=2208, -1, r1= 1.30, r2= 1.80, r3= 5.65, r4= 6.15,
igr2=2214,2215,2216,2218,2219,2220,
&end
#
# 149 VAL H 149 VAL QG2 3.75
&rst
ixpk= 0, nxpk= 0, iat=2208, -1, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,
igr2=2214,2215,2216,2218,2219,2220,
&end
#
# 149 VAL H 150 ILE H 4.92
&rst
ixpk= 0, nxpk= 0, iat=2208,2224, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42, &end
#
# 149 VAL H 150 ILE QD1 5.05
&rst
ixpk= 0, nxpk= 0, iat=2208, -1, r1= 1.30, r2= 1.80, r3= 6.06, r4= 6.56,
igr2=2237,2238,2239,
&end
#
# 149 VAL HA 149 VAL QG1 3.66
&rst
ixpk= 0, nxpk= 0, iat=2210, -1, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43,
igr2=2214,2215,2216,2218,2219,2220,
&end
#
# 149 VAL HA 149 VAL QG2 3.86
&rst
ixpk= 0, nxpk= 0, iat=2210, -1, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,
igr2=2214,2215,2216,2218,2219,2220,
&end
#
# 149 VAL HA 150 ILE HB 5.04
&rst
ixpk= 0, nxpk= 0, iat=2210,2228, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54, &end
#
# 149 VAL HA 150 ILE QD1 4.96
&rst
ixpk= 0, nxpk= 0, iat=2210, -1, r1= 1.30, r2= 1.80, r3= 5.96, r4= 6.46,
igr2=2237,2238,2239,
&end
#
# 149 VAL HB 150 ILE H 4.95
&rst
ixpk= 0, nxpk= 0, iat=2212,2224, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45, &end
#
# 149 VAL QG1 150 ILE H 3.61
&rst
ixpk= 0, nxpk= 0, iat= -1,2224, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37,
igr1=2214,2215,2216,2218,2219,2220,
&end
#
# 149 VAL QG1 150 ILE HA 4.20
&rst
ixpk= 0, nxpk= 0, iat= -1,2226, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
igr1=2214,2215,2216,2218,2219,2220,
&end
#
# 149 VAL QG1 150 ILE QD1 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
igr1=2214,2215,2216,2218,2219,2220,
igr2=2237,2238,2239,
&end
#
# 149 VAL QG1 151 GLU H 4.81
&rst
ixpk= 0, nxpk= 0, iat= -1,2243, r1= 1.30, r2= 1.80, r3= 6.48, r4= 6.98,
igr1=2214,2215,2216,2218,2219,2220,
&end
#
# 149 VAL QG1 151 GLU HB3 4.39
&rst
ixpk= 0, nxpk= 0, iat= -1,2248, r1= 1.30, r2= 1.80, r3= 5.92, r4= 6.42,
igr1=2214,2215,2216,2218,2219,2220,
&end
#
# 149 VAL QG1 151 GLU HG2 4.40
&rst
ixpk= 0, nxpk= 0, iat= -1,2250, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43,
igr1=2214,2215,2216,2218,2219,2220,
&end
#
# 149 VAL QG1 151 GLU HG3 4.58
&rst
ixpk= 0, nxpk= 0, iat= -1,2251, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=2214,2215,2216,2218,2219,2220,
&end
#
# 149 VAL QG2 150 ILE H 4.31
&rst
ixpk= 0, nxpk= 0, iat= -1,2224, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31,
igr1=2214,2215,2216,2218,2219,2220,
&end
#
# 150 ILE H 150 ILE HB 4.21
&rst
ixpk= 0, nxpk= 0, iat=2224,2228, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71, &end
#
# 150 ILE H 150 ILE HG12 4.69
&rst
ixpk= 0, nxpk= 0, iat=2224,2234, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19, &end
#
# 150 ILE H 150 ILE QD1 4.61
&rst
ixpk= 0, nxpk= 0, iat=2224, -1, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,
igr2=2237,2238,2239,
&end
#
# 150 ILE H 150 ILE QG2 4.48
&rst
ixpk= 0, nxpk= 0, iat=2224, -1, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88,
igr2=2230,2231,2232,
&end
#
# 150 ILE H 151 GLU H 5.48
&rst
ixpk= 0, nxpk= 0, iat=2224,2243, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98, &end
#
# 150 ILE HA 150 ILE QD1 4.02
&rst
ixpk= 0, nxpk= 0, iat=2226, -1, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
igr2=2237,2238,2239,
&end
#
# 150 ILE HA 150 ILE QG2 3.68
&rst
ixpk= 0, nxpk= 0, iat=2226, -1, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92,
igr2=2230,2231,2232,
&end
#
# 150 ILE HA 151 GLU HB3 4.52
&rst
ixpk= 0, nxpk= 0, iat=2226,2248, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02, &end
#
# 150 ILE HB 150 ILE QD1 3.85
&rst
ixpk= 0, nxpk= 0, iat=2228, -1, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
igr2=2237,2238,2239,
&end
#
# 150 ILE HB 151 GLU H 5.19
&rst
ixpk= 0, nxpk= 0, iat=2228,2243, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69, &end
#
# 150 ILE QD1 151 GLU H 5.13
&rst
ixpk= 0, nxpk= 0, iat= -1,2243, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66,
igr1=2237,2238,2239,
&end
#
# 150 ILE QG2 150 ILE HG12 3.98
&rst
ixpk= 0, nxpk= 0, iat= -1,2234, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28,
igr1=2230,2231,2232,
&end
#
# 150 ILE QG2 150 ILE QD1 3.54
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61,
igr1=2230,2231,2232,
igr2=2237,2238,2239,
&end
#
# 150 ILE QG2 151 GLU H 4.00
&rst
ixpk= 0, nxpk= 0, iat= -1,2243, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr1=2230,2231,2232,
&end
#
# 150 ILE QG2 151 GLU HA 5.13
&rst
ixpk= 0, nxpk= 0, iat= -1,2245, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66,
igr1=2230,2231,2232,
&end
#
# 150 ILE QG2 151 GLU HB3 5.44
&rst
ixpk= 0, nxpk= 0, iat= -1,2248, r1= 1.30, r2= 1.80, r3= 6.53, r4= 7.03,
igr1=2230,2231,2232,
&end
#
# 150 ILE QG2 152 LYS HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,2260, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=2230,2231,2232,
&end
#
# 150 ILE QG2 152 LYS HG2 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,2265, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=2230,2231,2232,
&end
#
# 151 GLU H 151 GLU HB2 4.17
&rst
ixpk= 0, nxpk= 0, iat=2243,2247, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67, &end
#
# 151 GLU H 151 GLU HB3 4.12
&rst
ixpk= 0, nxpk= 0, iat=2243,2248, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62, &end
#
# 151 GLU H 151 GLU HG2 5.00
&rst
ixpk= 0, nxpk= 0, iat=2243,2250, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 151 GLU H 151 GLU HG3 5.00
&rst
ixpk= 0, nxpk= 0, iat=2243,2251, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 151 GLU H 152 LYS HA 5.12
&rst
ixpk= 0, nxpk= 0, iat=2243,2260, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62, &end
#
# 151 GLU HA 151 GLU HG2 3.80
&rst
ixpk= 0, nxpk= 0, iat=2245,2250, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end
#
# 151 GLU HA 151 GLU HG3 3.80
&rst
ixpk= 0, nxpk= 0, iat=2245,2251, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end
#
# 151 GLU HA 152 LYS H 3.27
&rst
ixpk= 0, nxpk= 0, iat=2245,2258, r1= 1.30, r2= 1.80, r3= 3.27, r4= 3.77, &end
#
# 151 GLU HA 152 LYS HA 4.77
&rst
ixpk= 0, nxpk= 0, iat=2245,2260, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27, &end
#
# 151 GLU HA 152 LYS HG2 5.33
&rst
ixpk= 0, nxpk= 0, iat=2245,2265, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83, &end
#
# 151 GLU HA 152 LYS HG3 4.70
&rst
ixpk= 0, nxpk= 0, iat=2245,2266, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, &end
#
# 151 GLU HB2 152 LYS H 4.10
&rst
ixpk= 0, nxpk= 0, iat=2247,2258, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60, &end
#
# 151 GLU HB3 152 LYS H 4.21
&rst
ixpk= 0, nxpk= 0, iat=2248,2258, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71, &end
#
# 151 GLU HG3 152 LYS H 4.34
&rst
ixpk= 0, nxpk= 0, iat=2251,2258, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84, &end
#
# 151 GLU HG3 152 LYS HB3 5.50
&rst
ixpk= 0, nxpk= 0, iat=2251,2263, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 152 LYS H 152 LYS HB3 4.00
&rst
ixpk= 0, nxpk= 0, iat=2258,2263, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 152 LYS H 152 LYS HG2 4.10
&rst
ixpk= 0, nxpk= 0, iat=2258,2265, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60, &end
#
# 152 LYS H 152 LYS HG3 3.97
&rst
ixpk= 0, nxpk= 0, iat=2258,2266, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47, &end
#
# 152 LYS H 153 VAL H 5.01
&rst
ixpk= 0, nxpk= 0, iat=2258,2280, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51, &end
#
# 152 LYS HA 152 LYS HG2 3.85
&rst
ixpk= 0, nxpk= 0, iat=2260,2265, r1= 1.30, r2= 1.80, r3= 3.85, r4= 4.35, &end
#
# 152 LYS HA 152 LYS HG3 3.80
&rst
ixpk= 0, nxpk= 0, iat=2260,2266, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end
#
# 152 LYS HA 153 VAL QG2 3.52
&rst
ixpk= 0, nxpk= 0, iat=2260, -1, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,
igr2=2286,2287,2288,2290,2291,2292,
&end
#
# 152 LYS HB2 152 LYS QE 4.17
&rst
ixpk= 0, nxpk= 0, iat=2262, -1, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,
igr2=2271,2272,
&end
#
# 152 LYS HB2 153 VAL H 3.76
&rst
ixpk= 0, nxpk= 0, iat=2262,2280, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26, &end
#
# 152 LYS HB2 153 VAL HA 5.50
&rst
ixpk= 0, nxpk= 0, iat=2262,2282, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 152 LYS HB3 152 LYS QE 4.29
&rst
ixpk= 0, nxpk= 0, iat=2263, -1, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32,
igr2=2271,2272,
&end
#
# 152 LYS HB3 153 VAL H 3.94
&rst
ixpk= 0, nxpk= 0, iat=2263,2280, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44, &end
#
# 152 LYS HG2 152 LYS QD 2.99
&rst
ixpk= 0, nxpk= 0, iat=2265, -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr2=2268,2269,
&end
#
# 152 LYS HG2 152 LYS QE 3.07
&rst
ixpk= 0, nxpk= 0, iat=2265, -1, r1= 1.30, r2= 1.80, r3= 3.45, r4= 3.95,
igr2=2271,2272,
&end
#
# 152 LYS HG2 153 VAL H 3.88
&rst
ixpk= 0, nxpk= 0, iat=2265,2280, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38, &end
#
# 152 LYS HG3 152 LYS QE 3.02
&rst
ixpk= 0, nxpk= 0, iat=2266, -1, r1= 1.30, r2= 1.80, r3= 3.39, r4= 3.89,
igr2=2271,2272,
&end
#
# 152 LYS QD 152 LYS QE 3.01
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29,
igr1=2268,2269,
igr2=2271,2272,
&end
#
# 152 LYS QD 153 VAL H 4.14
&rst
ixpk= 0, nxpk= 0, iat= -1,2280, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,
igr1=2268,2269,
&end
#
# 153 VAL H 153 VAL HB 3.46
&rst
ixpk= 0, nxpk= 0, iat=2280,2284, r1= 1.30, r2= 1.80, r3= 3.46, r4= 3.96, &end
#
# 153 VAL H 153 VAL QG2 3.08
&rst
ixpk= 0, nxpk= 0, iat=2280, -1, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65,
igr2=2286,2287,2288,2290,2291,2292,
&end
#
# 153 VAL HA 153 VAL HB 2.99
&rst
ixpk= 0, nxpk= 0, iat=2282,2284, r1= 1.30, r2= 1.80, r3= 2.99, r4= 3.49, &end
#
# 153 VAL HA 153 VAL QG1 3.06
&rst
ixpk= 0, nxpk= 0, iat=2282, -1, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62,
igr2=2286,2287,2288,2290,2291,2292,
&end
#
# 153 VAL HA 153 VAL QG2 2.92
&rst
ixpk= 0, nxpk= 0, iat=2282, -1, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44,
igr2=2286,2287,2288,2290,2291,2292,
&end
#
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