NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type | subtype | subsubtype |
|
|
534793 |
2ljm   |
17949 | cing | 1-original | 1 | AMBER | distance | NOE | simple |
#
# 18 GLU HA 63 TRP HE1 5.50
&rst
ixpk= 0, nxpk= 0, iat= 272, 949, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
rk2=20.0, rk3=20.0, ir6=1, ialtd=0,
&end
#
# 18 GLU HB3 63 TRP HE1 3.65
&rst
ixpk= 0, nxpk= 0, iat= 275, 949, r1= 1.30, r2= 1.80, r3= 3.65, r4= 4.15, &end
#
# 18 GLU HB2 63 TRP HE1 3.65
&rst
ixpk= 0, nxpk= 0, iat= 274, 949, r1= 1.30, r2= 1.80, r3= 3.65, r4= 4.15, &end
#
# 18 GLU HG3 63 TRP HE1 5.50
&rst
ixpk= 0, nxpk= 0, iat= 278, 949, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 74 TRP HE1 76 LEU QD2 5.50
&rst
ixpk= 0, nxpk= 0, iat=1128, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1169,1170,1171,
&end
#
# 62 CYSS HA 63 TRP HN 2.84
&rst
ixpk= 0, nxpk= 0, iat= 931, 939, r1= 1.30, r2= 1.80, r3= 2.84, r4= 3.34, &end
#
# 57 CYSS HA 63 TRP HN 4.03
&rst
ixpk= 0, nxpk= 0, iat= 860, 939, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53, &end
#
# 63 TRP HN 63 TRP HB2 3.64
&rst
ixpk= 0, nxpk= 0, iat= 939, 943, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14, &end
#
# 58 TYR HB3 63 TRP HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= 873, 939, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 63 TRP HN 63 TRP HB3 3.67
&rst
ixpk= 0, nxpk= 0, iat= 939, 944, r1= 1.30, r2= 1.80, r3= 3.67, r4= 4.17, &end
#
# 58 TYR HB2 63 TRP HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= 872, 939, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 62 CYSS HB2 63 TRP HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= 933, 939, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 57 CYSS HA 58 TYR HN 2.92
&rst
ixpk= 0, nxpk= 0, iat= 860, 868, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42, &end
#
# 58 TYR HN 58 TYR HB3 4.08
&rst
ixpk= 0, nxpk= 0, iat= 868, 873, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58, &end
#
# 58 TYR HN 62 CYSS HA 4.53
&rst
ixpk= 0, nxpk= 0, iat= 868, 931, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03, &end
#
# 58 TYR HN 63 TRP HB3 5.50
&rst
ixpk= 0, nxpk= 0, iat= 868, 944, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 58 TYR HN 58 TYR HB2 4.08
&rst
ixpk= 0, nxpk= 0, iat= 868, 872, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58, &end
#
# 36 GLY HN 57 CYSS HN 4.63
&rst
ixpk= 0, nxpk= 0, iat= 551, 858, r1= 1.30, r2= 1.80, r3= 4.63, r4= 5.13, &end
#
# 56 TYR HB3 57 CYSS HN 3.93
&rst
ixpk= 0, nxpk= 0, iat= 842, 858, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, &end
#
# 56 TYR HA 57 CYSS HN 3.36
&rst
ixpk= 0, nxpk= 0, iat= 839, 858, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86, &end
#
# 57 CYSS HN 57 CYSS HB3 3.75
&rst
ixpk= 0, nxpk= 0, iat= 858, 863, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25, &end
#
# 57 CYSS HN 57 CYSS HB2 3.75
&rst
ixpk= 0, nxpk= 0, iat= 858, 862, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25, &end
#
# 57 CYSS HN 58 TYR HN 4.63
&rst
ixpk= 0, nxpk= 0, iat= 858, 868, r1= 1.30, r2= 1.80, r3= 4.63, r4= 5.13, &end
#
# 24 LYS HN 24 LYS HB3 3.65
&rst
ixpk= 0, nxpk= 0, iat= 359, 364, r1= 1.30, r2= 1.80, r3= 3.65, r4= 4.15, &end
#
# 24 LYS HN 24 LYS HG2 4.71
&rst
ixpk= 0, nxpk= 0, iat= 359, 366, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21, &end
#
# 20 TYR HN 63 TRP HZ3 5.50
&rst
ixpk= 0, nxpk= 0, iat= 292, 956, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 23 SER HA 24 LYS HN 2.75
&rst
ixpk= 0, nxpk= 0, iat= 350, 359, r1= 1.30, r2= 1.80, r3= 2.75, r4= 3.25, &end
#
# 24 LYS HN 24 LYS HB2 3.65
&rst
ixpk= 0, nxpk= 0, iat= 359, 363, r1= 1.30, r2= 1.80, r3= 3.65, r4= 4.15, &end
#
# 24 LYS HN 24 LYS HG3 4.71
&rst
ixpk= 0, nxpk= 0, iat= 359, 367, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21, &end
#
# 20 TYR HN 73 VAL QG1 4.98
&rst
ixpk= 0, nxpk= 0, iat= 292, -1, r1= 1.30, r2= 1.80, r3= 5.98, r4= 6.48,
igr2=1108,1109,1110,
&end
#
# 19 GLY HA3 20 TYR HN 3.53
&rst
ixpk= 0, nxpk= 0, iat= 288, 292, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03, &end
#
# 20 TYR HN 73 VAL HB 4.06
&rst
ixpk= 0, nxpk= 0, iat= 292,1106, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56, &end
#
# 19 GLY HA2 20 TYR HN 3.56
&rst
ixpk= 0, nxpk= 0, iat= 287, 292, r1= 1.30, r2= 1.80, r3= 3.56, r4= 4.06, &end
#
# 20 TYR HN 20 TYR HB2 3.33
&rst
ixpk= 0, nxpk= 0, iat= 292, 296, r1= 1.30, r2= 1.80, r3= 3.33, r4= 3.83, &end
#
# 37 ASP HA 38 ASN HN 3.00
&rst
ixpk= 0, nxpk= 0, iat= 560, 570, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 37 ASP HN 38 ASN HN 4.50
&rst
ixpk= 0, nxpk= 0, iat= 558, 570, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 20 TYR HN 74 TRP HN 4.90
&rst
ixpk= 0, nxpk= 0, iat= 292,1118, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40, &end
#
# 38 ASN HN 38 ASN HB2 3.93
&rst
ixpk= 0, nxpk= 0, iat= 570, 574, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, &end
#
# 36 GLY HN 57 CYSS HB2 4.43
&rst
ixpk= 0, nxpk= 0, iat= 551, 862, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93, &end
#
# 36 GLY HN 57 CYSS HB3 4.43
&rst
ixpk= 0, nxpk= 0, iat= 551, 863, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93, &end
#
# 35 LEU HA 36 GLY HN 3.10
&rst
ixpk= 0, nxpk= 0, iat= 534, 551, r1= 1.30, r2= 1.80, r3= 3.10, r4= 3.60, &end
#
# 35 LEU QD1 36 GLY HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 551, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 541, 542, 543,
&end
#
# 35 LEU HB3 36 GLY HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= 537, 551, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 35 LEU HG 36 GLY HN 4.44
&rst
ixpk= 0, nxpk= 0, iat= 539, 551, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94, &end
#
# 38 ASN HA 39 ASP HN 3.06
&rst
ixpk= 0, nxpk= 0, iat= 572, 584, r1= 1.30, r2= 1.80, r3= 3.06, r4= 3.56, &end
#
# 58 TYR HA 59 ALA HN 2.94
&rst
ixpk= 0, nxpk= 0, iat= 870, 889, r1= 1.30, r2= 1.80, r3= 2.94, r4= 3.44, &end
#
# 59 ALA HN 59 ALA QB 3.50
&rst
ixpk= 0, nxpk= 0, iat= 889, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2= 893, 894, 895,
&end
#
# 56 TYR HN 63 TRP HN 4.18
&rst
ixpk= 0, nxpk= 0, iat= 837, 939, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68, &end
#
# 56 TYR HN 64 CYSS HA 4.20
&rst
ixpk= 0, nxpk= 0, iat= 837, 965, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 56 TYR HN 62 CYSS HA 5.46
&rst
ixpk= 0, nxpk= 0, iat= 837, 931, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96, &end
#
# 56 TYR HN 63 TRP HB2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 837, 943, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 56 TYR HN 63 TRP HB3 5.02
&rst
ixpk= 0, nxpk= 0, iat= 837, 944, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52, &end
#
# 56 TYR HN 58 TYR QE 5.50
&rst
ixpk= 0, nxpk= 0, iat= 837, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 878, 885,
&end
#
# 56 TYR HN 63 TRP HD1 5.50
&rst
ixpk= 0, nxpk= 0, iat= 837, 947, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 65 THR HA 66 HIS HN 3.00
&rst
ixpk= 0, nxpk= 0, iat= 975, 987, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 66 HIS HN 66 HIS HA 2.79
&rst
ixpk= 0, nxpk= 0, iat= 987, 989, r1= 1.30, r2= 1.80, r3= 2.79, r4= 3.29, &end
#
# 66 HIS HN 66 HIS QB 4.03
&rst
ixpk= 0, nxpk= 0, iat= 987, -1, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02,
igr2= 991, 992,
&end
#
# 80 THR QG2 81 CYSS HN 4.22
&rst
ixpk= 0, nxpk= 0, iat= -1,1239, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,
igr1=1231,1232,1233,
&end
#
# 80 THR HA 81 CYSS HN 2.93
&rst
ixpk= 0, nxpk= 0, iat=1227,1239, r1= 1.30, r2= 1.80, r3= 2.93, r4= 3.43, &end
#
# 80 THR HB 81 CYSS HN 4.31
&rst
ixpk= 0, nxpk= 0, iat=1229,1239, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81, &end
#
# 81 CYSS HN 81 CYSS HB3 3.99
&rst
ixpk= 0, nxpk= 0, iat=1239,1244, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49, &end
#
# 81 CYSS HN 81 CYSS HB2 3.99
&rst
ixpk= 0, nxpk= 0, iat=1239,1243, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49, &end
#
# 62 CYSS HN 63 TRP HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= 929, 939, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 61 ALA HA 62 CYSS HN 3.01
&rst
ixpk= 0, nxpk= 0, iat= 921, 929, r1= 1.30, r2= 1.80, r3= 3.01, r4= 3.51, &end
#
# 31 GLU HA 62 CYSS HN 3.47
&rst
ixpk= 0, nxpk= 0, iat= 468, 929, r1= 1.30, r2= 1.80, r3= 3.47, r4= 3.97, &end
#
# 29 LYS QE 62 CYSS HN 3.98
&rst
ixpk= 0, nxpk= 0, iat= -1, 929, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97,
igr1= 436, 437,
&end
#
# 62 CYSS HN 62 CYSS HB2 3.51
&rst
ixpk= 0, nxpk= 0, iat= 929, 933, r1= 1.30, r2= 1.80, r3= 3.51, r4= 4.01, &end
#
# 61 ALA QB 62 CYSS HN 3.40
&rst
ixpk= 0, nxpk= 0, iat= -1, 929, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58,
igr1= 923, 924, 925,
&end
#
# 20 TYR HN 73 VAL QG2 4.31
&rst
ixpk= 0, nxpk= 0, iat= 292, -1, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68,
igr2=1112,1113,1114,
&end
#
# 62 CYSS HN 62 CYSS HB3 3.51
&rst
ixpk= 0, nxpk= 0, iat= 929, 934, r1= 1.30, r2= 1.80, r3= 3.51, r4= 4.01, &end
#
# 32 CYSS HN 62 CYSS HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= 481, 929, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 42 LEU HA 45 CYSS HN 4.70
&rst
ixpk= 0, nxpk= 0, iat= 629, 685, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, &end
#
# 44 GLU HB2 45 CYSS HN 3.94
&rst
ixpk= 0, nxpk= 0, iat= 674, 685, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44, &end
#
# 41 CYSS HA 45 CYSS HN 4.82
&rst
ixpk= 0, nxpk= 0, iat= 619, 685, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32, &end
#
# 44 GLU HB3 45 CYSS HN 3.94
&rst
ixpk= 0, nxpk= 0, iat= 675, 685, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44, &end
#
# 43 ARG HG3 45 CYSS HN 5.19
&rst
ixpk= 0, nxpk= 0, iat= 654, 685, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69, &end
#
# 21 LEU QD1 45 CYSS HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 685, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 322, 323, 324,
&end
#
# 21 LEU QD2 45 CYSS HN 5.18
&rst
ixpk= 0, nxpk= 0, iat= -1, 685, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
igr1= 326, 327, 328,
&end
#
# 64 CYSS HN 67 LEU QD2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 963, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1017,1018,1019,
&end
#
# 68 TYR HB3 69 GLU HN 3.78
&rst
ixpk= 0, nxpk= 0, iat=1028,1044, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28, &end
#
# 68 TYR HB2 69 GLU HN 3.78
&rst
ixpk= 0, nxpk= 0, iat=1027,1044, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28, &end
#
# 69 GLU HN 69 GLU QG 3.69
&rst
ixpk= 0, nxpk= 0, iat=1044, -1, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64,
igr2=1051,1052,
&end
#
# 69 GLU HN 69 GLU HB3 3.81
&rst
ixpk= 0, nxpk= 0, iat=1044,1049, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31, &end
#
# 63 TRP HA 64 CYSS HN 2.91
&rst
ixpk= 0, nxpk= 0, iat= 941, 963, r1= 1.30, r2= 1.80, r3= 2.91, r4= 3.41, &end
#
# 51 LYS HN 51 LYS QB 2.96
&rst
ixpk= 0, nxpk= 0, iat= 779, -1, r1= 1.30, r2= 1.80, r3= 3.32, r4= 3.82,
igr2= 783, 784,
&end
#
# 51 LYS HN 52 SER HN 3.50
&rst
ixpk= 0, nxpk= 0, iat= 779, 801, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 72 VAL HN 73 VAL HN 4.85
&rst
ixpk= 0, nxpk= 0, iat=1086,1102, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35, &end
#
# 72 VAL HN 72 VAL QG2 4.33
&rst
ixpk= 0, nxpk= 0, iat=1086, -1, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,
igr2=1096,1097,1098,
&end
#
# 72 VAL HN 72 VAL HB 3.23
&rst
ixpk= 0, nxpk= 0, iat=1086,1090, r1= 1.30, r2= 1.80, r3= 3.23, r4= 3.73, &end
#
# 71 ALA QB 72 VAL HN 3.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1086, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1=1080,1081,1082,
&end
#
# 22 VAL QG2 74 TRP HN 5.44
&rst
ixpk= 0, nxpk= 0, iat= -1,1118, r1= 1.30, r2= 1.80, r3= 6.53, r4= 7.03,
igr1= 342, 343, 344,
&end
#
# 73 VAL HB 74 TRP HN 3.04
&rst
ixpk= 0, nxpk= 0, iat=1106,1118, r1= 1.30, r2= 1.80, r3= 3.04, r4= 3.54, &end
#
# 67 LEU HN 67 LEU QD2 4.38
&rst
ixpk= 0, nxpk= 0, iat=1004, -1, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76,
igr2=1017,1018,1019,
&end
#
# 73 VAL QG2 74 TRP HN 4.54
&rst
ixpk= 0, nxpk= 0, iat= -1,1118, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95,
igr1=1112,1113,1114,
&end
#
# 73 VAL HA 74 TRP HN 3.40
&rst
ixpk= 0, nxpk= 0, iat=1104,1118, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90, &end
#
# 74 TRP HN 74 TRP HB3 3.77
&rst
ixpk= 0, nxpk= 0, iat=1118,1123, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27, &end
#
# 20 TYR HB2 74 TRP HN 3.36
&rst
ixpk= 0, nxpk= 0, iat= 296,1118, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86, &end
#
# 74 TRP HN 74 TRP HB2 3.77
&rst
ixpk= 0, nxpk= 0, iat=1118,1122, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27, &end
#
# 37 ASP HN 37 ASP HB3 3.98
&rst
ixpk= 0, nxpk= 0, iat= 558, 563, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48, &end
#
# 37 ASP HN 37 ASP HB2 3.98
&rst
ixpk= 0, nxpk= 0, iat= 558, 562, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48, &end
#
# 22 VAL HB 74 TRP HN 4.84
&rst
ixpk= 0, nxpk= 0, iat= 336,1118, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34, &end
#
# 22 VAL QG1 74 TRP HN 5.44
&rst
ixpk= 0, nxpk= 0, iat= -1,1118, r1= 1.30, r2= 1.80, r3= 6.53, r4= 7.03,
igr1= 338, 339, 340,
&end
#
# 73 VAL QG1 74 TRP HN 4.48
&rst
ixpk= 0, nxpk= 0, iat= -1,1118, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88,
igr1=1108,1109,1110,
&end
#
# 20 TYR QE 74 TRP HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1118, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 302, 309,
&end
#
# 33 LEU HN 33 LEU QD2 4.45
&rst
ixpk= 0, nxpk= 0, iat= 491, -1, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
igr2= 504, 505, 506,
&end
#
# 33 LEU HN 33 LEU HG 4.59
&rst
ixpk= 0, nxpk= 0, iat= 491, 498, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09, &end
#
# 79 LYS HB2 80 THR HN 4.94
&rst
ixpk= 0, nxpk= 0, iat=1207,1225, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44, &end
#
# 33 LEU HN 33 LEU QD1 4.45
&rst
ixpk= 0, nxpk= 0, iat= 491, -1, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
igr2= 500, 501, 502,
&end
#
# 79 LYS HA 80 THR HN 2.63
&rst
ixpk= 0, nxpk= 0, iat=1205,1225, r1= 1.30, r2= 1.80, r3= 2.63, r4= 3.13, &end
#
# 80 THR HN 80 THR QG2 3.88
&rst
ixpk= 0, nxpk= 0, iat=1225, -1, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,
igr2=1231,1232,1233,
&end
#
# 26 THR HN 28 CYSS HN 5.40
&rst
ixpk= 0, nxpk= 0, iat= 392, 413, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, &end
#
# 51 LYS QE 52 SER HN 4.41
&rst
ixpk= 0, nxpk= 0, iat= -1, 801, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1= 792, 793,
&end
#
# 52 SER HN 53 SER HN 2.82
&rst
ixpk= 0, nxpk= 0, iat= 801, 812, r1= 1.30, r2= 1.80, r3= 2.82, r4= 3.32, &end
#
# 52 SER HN 52 SER HB2 3.75
&rst
ixpk= 0, nxpk= 0, iat= 801, 805, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25, &end
#
# 51 LYS QB 52 SER HN 3.89
&rst
ixpk= 0, nxpk= 0, iat= -1, 801, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87,
igr1= 783, 784,
&end
#
# 52 SER HN 52 SER HB3 3.75
&rst
ixpk= 0, nxpk= 0, iat= 801, 806, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25, &end
#
# 26 THR QG2 27 GLY HN 5.15
&rst
ixpk= 0, nxpk= 0, iat= -1, 406, r1= 1.30, r2= 1.80, r3= 6.18, r4= 6.68,
igr1= 398, 399, 400,
&end
#
# 44 GLU HN 45 CYSS HN 3.48
&rst
ixpk= 0, nxpk= 0, iat= 670, 685, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98, &end
#
# 40 TYR QD 44 GLU HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 670, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 604, 613,
&end
#
# 41 CYSS HA 44 GLU HN 3.97
&rst
ixpk= 0, nxpk= 0, iat= 619, 670, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47, &end
#
# 43 ARG HB2 44 GLU HN 4.24
&rst
ixpk= 0, nxpk= 0, iat= 650, 670, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74, &end
#
# 44 GLU HN 44 GLU HB3 3.64
&rst
ixpk= 0, nxpk= 0, iat= 670, 675, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14, &end
#
# 43 ARG HG3 44 GLU HN 4.43
&rst
ixpk= 0, nxpk= 0, iat= 654, 670, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93, &end
#
# 44 GLU HN 44 GLU HB2 3.64
&rst
ixpk= 0, nxpk= 0, iat= 670, 674, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14, &end
#
# 43 ARG HN 44 GLU HN 3.50
&rst
ixpk= 0, nxpk= 0, iat= 646, 670, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 23 SER HN 24 LYS HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= 348, 359, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 22 VAL HA 23 SER HN 2.87
&rst
ixpk= 0, nxpk= 0, iat= 334, 348, r1= 1.30, r2= 1.80, r3= 2.87, r4= 3.37, &end
#
# 23 SER HN 23 SER HB2 3.28
&rst
ixpk= 0, nxpk= 0, iat= 348, 352, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78, &end
#
# 23 SER HN 23 SER HB3 3.28
&rst
ixpk= 0, nxpk= 0, iat= 348, 353, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78, &end
#
# 27 GLY HN 28 CYSS HB3 4.80
&rst
ixpk= 0, nxpk= 0, iat= 406, 418, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, &end
#
# 27 GLY HN 28 CYSS HB2 4.80
&rst
ixpk= 0, nxpk= 0, iat= 406, 417, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, &end
#
# 49 TYR HN 49 TYR HB3 3.99
&rst
ixpk= 0, nxpk= 0, iat= 751, 756, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49, &end
#
# 49 TYR HN 49 TYR HB2 3.99
&rst
ixpk= 0, nxpk= 0, iat= 751, 755, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49, &end
#
# 42 LEU HN 45 CYSS HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= 627, 685, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 45 CYSS HN 47 GLN HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= 685, 717, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 46 LYS HN 47 GLN HN 3.08
&rst
ixpk= 0, nxpk= 0, iat= 695, 717, r1= 1.30, r2= 1.80, r3= 3.08, r4= 3.58, &end
#
# 47 GLN HN 48 GLN HN 3.51
&rst
ixpk= 0, nxpk= 0, iat= 717, 734, r1= 1.30, r2= 1.80, r3= 3.51, r4= 4.01, &end
#
# 40 TYR HA 42 LEU HN 4.49
&rst
ixpk= 0, nxpk= 0, iat= 598, 627, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99, &end
#
# 45 CYSS HA 47 GLN HN 4.87
&rst
ixpk= 0, nxpk= 0, iat= 687, 717, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37, &end
#
# 47 GLN HN 47 GLN HG3 3.56
&rst
ixpk= 0, nxpk= 0, iat= 717, 725, r1= 1.30, r2= 1.80, r3= 3.56, r4= 4.06, &end
#
# 35 LEU HN 35 LEU HG 4.57
&rst
ixpk= 0, nxpk= 0, iat= 532, 539, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07, &end
#
# 78 ASN HN 78 ASN HB3 3.73
&rst
ixpk= 0, nxpk= 0, iat=1189,1194, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23, &end
#
# 78 ASN HN 78 ASN HB2 3.73
&rst
ixpk= 0, nxpk= 0, iat=1189,1193, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23, &end
#
# 35 LEU HN 35 LEU HB2 3.20
&rst
ixpk= 0, nxpk= 0, iat= 532, 536, r1= 1.30, r2= 1.80, r3= 3.20, r4= 3.70, &end
#
# 42 LEU HN 42 LEU QD1 4.70
&rst
ixpk= 0, nxpk= 0, iat= 627, -1, r1= 1.30, r2= 1.80, r3= 5.64, r4= 6.14,
igr2= 636, 637, 638,
&end
#
# 35 LEU HN 35 LEU QD2 5.02
&rst
ixpk= 0, nxpk= 0, iat= 532, -1, r1= 1.30, r2= 1.80, r3= 6.03, r4= 6.53,
igr2= 545, 546, 547,
&end
#
# 42 LEU HN 42 LEU HB2 3.30
&rst
ixpk= 0, nxpk= 0, iat= 627, 631, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 42 LEU HN 42 LEU QD2 4.70
&rst
ixpk= 0, nxpk= 0, iat= 627, -1, r1= 1.30, r2= 1.80, r3= 5.64, r4= 6.14,
igr2= 640, 641, 642,
&end
#
# 41 CYSS HB2 42 LEU HN 4.45
&rst
ixpk= 0, nxpk= 0, iat= 621, 627, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95, &end
#
# 41 CYSS HB3 42 LEU HN 4.45
&rst
ixpk= 0, nxpk= 0, iat= 622, 627, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95, &end
#
# 40 TYR HN 41 CYSS HN 3.11
&rst
ixpk= 0, nxpk= 0, iat= 596, 617, r1= 1.30, r2= 1.80, r3= 3.11, r4= 3.61, &end
#
# 40 TYR HB3 41 CYSS HN 4.32
&rst
ixpk= 0, nxpk= 0, iat= 601, 617, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82, &end
#
# 40 TYR HB2 41 CYSS HN 4.32
&rst
ixpk= 0, nxpk= 0, iat= 600, 617, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82, &end
#
# 41 CYSS HN 41 CYSS HB3 4.09
&rst
ixpk= 0, nxpk= 0, iat= 617, 622, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59, &end
#
# 41 CYSS HN 41 CYSS HB2 4.09
&rst
ixpk= 0, nxpk= 0, iat= 617, 621, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59, &end
#
# 40 TYR QD 41 CYSS HN 4.31
&rst
ixpk= 0, nxpk= 0, iat= -1, 617, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,
igr1= 604, 613,
&end
#
# 66 HIS HN 67 LEU HN 4.03
&rst
ixpk= 0, nxpk= 0, iat= 987,1004, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53, &end
#
# 67 LEU HN 67 LEU QD1 4.38
&rst
ixpk= 0, nxpk= 0, iat=1004, -1, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76,
igr2=1013,1014,1015,
&end
#
# 67 LEU HN 68 TYR HN 4.77
&rst
ixpk= 0, nxpk= 0, iat=1004,1023, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27, &end
#
# 66 HIS HA 67 LEU HN 3.16
&rst
ixpk= 0, nxpk= 0, iat= 989,1004, r1= 1.30, r2= 1.80, r3= 3.16, r4= 3.66, &end
#
# 67 LEU HN 67 LEU HB2 3.18
&rst
ixpk= 0, nxpk= 0, iat=1004,1008, r1= 1.30, r2= 1.80, r3= 3.18, r4= 3.68, &end
#
# 31 GLU HA 32 CYSS HN 2.83
&rst
ixpk= 0, nxpk= 0, iat= 468, 481, r1= 1.30, r2= 1.80, r3= 2.83, r4= 3.33, &end
#
# 31 GLU HG3 32 CYSS HN 4.79
&rst
ixpk= 0, nxpk= 0, iat= 474, 481, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29, &end
#
# 31 GLU HG2 32 CYSS HN 4.79
&rst
ixpk= 0, nxpk= 0, iat= 473, 481, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29, &end
#
# 32 CYSS HN 61 ALA QB 4.43
&rst
ixpk= 0, nxpk= 0, iat= 481, -1, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82,
igr2= 923, 924, 925,
&end
#
# 72 VAL HA 73 VAL HN 2.54
&rst
ixpk= 0, nxpk= 0, iat=1088,1102, r1= 1.30, r2= 1.80, r3= 2.54, r4= 3.04, &end
#
# 72 VAL QG2 73 VAL HN 4.29
&rst
ixpk= 0, nxpk= 0, iat= -1,1102, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,
igr1=1096,1097,1098,
&end
#
# 72 VAL QG1 73 VAL HN 4.29
&rst
ixpk= 0, nxpk= 0, iat= -1,1102, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,
igr1=1092,1093,1094,
&end
#
# 58 TYR HN 61 ALA HN 4.88
&rst
ixpk= 0, nxpk= 0, iat= 868, 919, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38, &end
#
# 60 PHE QB 61 ALA HN 5.13
&rst
ixpk= 0, nxpk= 0, iat= -1, 919, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26,
igr1= 903, 904,
&end
#
# 27 GLY HN 28 CYSS HN 3.31
&rst
ixpk= 0, nxpk= 0, iat= 406, 413, r1= 1.30, r2= 1.80, r3= 3.31, r4= 3.81, &end
#
# 28 CYSS HN 28 CYSS HB3 3.80
&rst
ixpk= 0, nxpk= 0, iat= 413, 418, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end
#
# 28 CYSS HN 28 CYSS HB2 3.80
&rst
ixpk= 0, nxpk= 0, iat= 413, 417, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end
#
# 61 ALA HN 61 ALA QB 3.55
&rst
ixpk= 0, nxpk= 0, iat= 919, -1, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76,
igr2= 923, 924, 925,
&end
#
# 39 ASP HN 40 TYR HN 4.42
&rst
ixpk= 0, nxpk= 0, iat= 584, 596, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92, &end
#
# 38 ASN HA 40 TYR HN 4.19
&rst
ixpk= 0, nxpk= 0, iat= 572, 596, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69, &end
#
# 40 TYR HN 40 TYR HB3 3.21
&rst
ixpk= 0, nxpk= 0, iat= 596, 601, r1= 1.30, r2= 1.80, r3= 3.21, r4= 3.71, &end
#
# 40 TYR HN 40 TYR HB2 3.21
&rst
ixpk= 0, nxpk= 0, iat= 596, 600, r1= 1.30, r2= 1.80, r3= 3.21, r4= 3.71, &end
#
# 39 ASP QB 40 TYR HN 3.75
&rst
ixpk= 0, nxpk= 0, iat= -1, 596, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71,
igr1= 588, 589,
&end
#
# 24 LYS HN 25 SER HN 3.48
&rst
ixpk= 0, nxpk= 0, iat= 359, 381, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98, &end
#
# 25 SER HN 26 THR HN 3.27
&rst
ixpk= 0, nxpk= 0, iat= 381, 392, r1= 1.30, r2= 1.80, r3= 3.27, r4= 3.77, &end
#
# 40 TYR HA 43 ARG HN 4.08
&rst
ixpk= 0, nxpk= 0, iat= 598, 646, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58, &end
#
# 43 ARG HN 43 ARG HB3 4.00
&rst
ixpk= 0, nxpk= 0, iat= 646, 651, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 43 ARG HN 43 ARG HG2 3.49
&rst
ixpk= 0, nxpk= 0, iat= 646, 653, r1= 1.30, r2= 1.80, r3= 3.49, r4= 3.99, &end
#
# 64 CYSS HA 65 THR HN 2.86
&rst
ixpk= 0, nxpk= 0, iat= 965, 973, r1= 1.30, r2= 1.80, r3= 2.86, r4= 3.36, &end
#
# 39 ASP QB 43 ARG HN 5.21
&rst
ixpk= 0, nxpk= 0, iat= -1, 646, r1= 1.30, r2= 1.80, r3= 5.85, r4= 6.35,
igr1= 588, 589,
&end
#
# 43 ARG HN 43 ARG HG3 3.86
&rst
ixpk= 0, nxpk= 0, iat= 646, 654, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36, &end
#
# 65 THR HN 66 HIS HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= 973, 987, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 67 LEU HA 68 TYR HN 2.84
&rst
ixpk= 0, nxpk= 0, iat=1006,1023, r1= 1.30, r2= 1.80, r3= 2.84, r4= 3.34, &end
#
# 68 TYR HN 68 TYR HB3 3.77
&rst
ixpk= 0, nxpk= 0, iat=1023,1028, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27, &end
#
# 67 LEU HG 68 TYR HN 3.64
&rst
ixpk= 0, nxpk= 0, iat=1011,1023, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14, &end
#
# 67 LEU QD2 68 TYR HN 4.92
&rst
ixpk= 0, nxpk= 0, iat= -1,1023, r1= 1.30, r2= 1.80, r3= 5.91, r4= 6.41,
igr1=1017,1018,1019,
&end
#
# 70 GLN HN 71 ALA HA 5.50
&rst
ixpk= 0, nxpk= 0, iat=1059,1078, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 18 GLU HN 18 GLU HG2 4.45
&rst
ixpk= 0, nxpk= 0, iat= 270, 277, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95, &end
#
# 18 GLU HN 18 GLU HG3 4.45
&rst
ixpk= 0, nxpk= 0, iat= 270, 278, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95, &end
#
# 45 CYSS HN 46 LYS HN 3.57
&rst
ixpk= 0, nxpk= 0, iat= 685, 695, r1= 1.30, r2= 1.80, r3= 3.57, r4= 4.07, &end
#
# 45 CYSS HA 48 GLN HN 4.86
&rst
ixpk= 0, nxpk= 0, iat= 687, 734, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36, &end
#
# 44 GLU HA 46 LYS HN 3.85
&rst
ixpk= 0, nxpk= 0, iat= 672, 695, r1= 1.30, r2= 1.80, r3= 3.85, r4= 4.35, &end
#
# 55 GLY HN 64 CYSS HA 4.57
&rst
ixpk= 0, nxpk= 0, iat= 830, 965, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07, &end
#
# 42 LEU HA 55 GLY HN 4.44
&rst
ixpk= 0, nxpk= 0, iat= 629, 830, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94, &end
#
# 55 GLY HN 56 TYR HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= 830, 837, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 42 LEU HG 55 GLY HN 4.36
&rst
ixpk= 0, nxpk= 0, iat= 634, 830, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86, &end
#
# 49 TYR QD 68 TYR HN 5.16
&rst
ixpk= 0, nxpk= 0, iat= -1,1023, r1= 1.30, r2= 1.80, r3= 5.79, r4= 6.29,
igr1= 759, 768,
&end
#
# 53 SER HA 54 GLY HN 2.64
&rst
ixpk= 0, nxpk= 0, iat= 814, 823, r1= 1.30, r2= 1.80, r3= 2.64, r4= 3.14, &end
#
# 52 SER HA 53 SER HN 3.56
&rst
ixpk= 0, nxpk= 0, iat= 803, 812, r1= 1.30, r2= 1.80, r3= 3.56, r4= 4.06, &end
#
# 53 SER HN 53 SER HB2 3.78
&rst
ixpk= 0, nxpk= 0, iat= 812, 816, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28, &end
#
# 68 TYR HN 68 TYR HB2 3.77
&rst
ixpk= 0, nxpk= 0, iat=1023,1027, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27, &end
#
# 68 TYR HB2 70 GLN HN 4.15
&rst
ixpk= 0, nxpk= 0, iat=1027,1059, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65, &end
#
# 70 GLN HN 70 GLN HB3 3.50
&rst
ixpk= 0, nxpk= 0, iat=1059,1064, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 70 GLN HN 70 GLN HB2 3.72
&rst
ixpk= 0, nxpk= 0, iat=1059,1063, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22, &end
#
# 70 GLN HN 70 GLN QG 2.99
&rst
ixpk= 0, nxpk= 0, iat=1059, -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr2=1066,1067,
&end
#
# 68 TYR HB3 70 GLN HN 4.15
&rst
ixpk= 0, nxpk= 0, iat=1028,1059, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65, &end
#
# 69 GLU HN 70 GLN HN 3.90
&rst
ixpk= 0, nxpk= 0, iat=1044,1059, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40, &end
#
# 50 GLY HN 51 LYS HN 4.69
&rst
ixpk= 0, nxpk= 0, iat= 772, 779, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19, &end
#
# 49 TYR HN 50 GLY HN 3.18
&rst
ixpk= 0, nxpk= 0, iat= 751, 772, r1= 1.30, r2= 1.80, r3= 3.18, r4= 3.68, &end
#
# 20 TYR HB3 21 LEU HN 4.54
&rst
ixpk= 0, nxpk= 0, iat= 297, 313, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04, &end
#
# 21 LEU HN 22 VAL HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= 313, 332, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 20 TYR HA 21 LEU HN 2.89
&rst
ixpk= 0, nxpk= 0, iat= 294, 313, r1= 1.30, r2= 1.80, r3= 2.89, r4= 3.39, &end
#
# 21 LEU HN 21 LEU HB3 3.84
&rst
ixpk= 0, nxpk= 0, iat= 313, 318, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34, &end
#
# 21 LEU HN 21 LEU HB2 3.84
&rst
ixpk= 0, nxpk= 0, iat= 313, 317, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34, &end
#
# 21 LEU HN 21 LEU HG 5.34
&rst
ixpk= 0, nxpk= 0, iat= 313, 320, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84, &end
#
# 74 TRP HE3 76 LEU HG 5.50
&rst
ixpk= 0, nxpk= 0, iat=1137,1163, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 26 THR HN 27 GLY HN 3.19
&rst
ixpk= 0, nxpk= 0, iat= 392, 406, r1= 1.30, r2= 1.80, r3= 3.19, r4= 3.69, &end
#
# 26 THR HN 26 THR QG2 3.25
&rst
ixpk= 0, nxpk= 0, iat= 392, -1, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40,
igr2= 398, 399, 400,
&end
#
# 26 THR HN 26 THR HB 3.99
&rst
ixpk= 0, nxpk= 0, iat= 392, 396, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49, &end
#
# 25 SER QB 26 THR HN 3.59
&rst
ixpk= 0, nxpk= 0, iat= -1, 392, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53,
igr1= 385, 386,
&end
#
# 20 TYR HA 20 TYR QD 3.29
&rst
ixpk= 0, nxpk= 0, iat= 294, -1, r1= 1.30, r2= 1.80, r3= 3.69, r4= 4.19,
igr2= 300, 309,
&end
#
# 20 TYR QD 63 TRP HZ3 3.93
&rst
ixpk= 0, nxpk= 0, iat= -1, 956, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 300, 309,
&end
#
# 20 TYR HN 20 TYR QD 4.31
&rst
ixpk= 0, nxpk= 0, iat= 292, -1, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,
igr2= 300, 309,
&end
#
# 71 ALA HN 72 VAL HN 5.50
&rst
ixpk= 0, nxpk= 0, iat=1076,1086, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 70 GLN HN 71 ALA HN 3.38
&rst
ixpk= 0, nxpk= 0, iat=1059,1076, r1= 1.30, r2= 1.80, r3= 3.38, r4= 3.88, &end
#
# 70 GLN QG 71 ALA HN 4.66
&rst
ixpk= 0, nxpk= 0, iat= -1,1076, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73,
igr1=1066,1067,
&end
#
# 20 TYR QE 29 LYS QG 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 302, 309,
igr2= 430, 431,
&end
#
# 71 ALA HN 71 ALA QB 2.85
&rst
ixpk= 0, nxpk= 0, iat=1076, -1, r1= 1.30, r2= 1.80, r3= 3.42, r4= 3.92,
igr2=1080,1081,1082,
&end
#
# 20 TYR QE 63 TRP HZ3 3.30
&rst
ixpk= 0, nxpk= 0, iat= -1, 956, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
igr1= 302, 309,
&end
#
# 20 TYR QE 63 TRP HE3 3.76
&rst
ixpk= 0, nxpk= 0, iat= -1, 958, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72,
igr1= 302, 309,
&end
#
# 28 CYSS HA 74 TRP HD1 4.95
&rst
ixpk= 0, nxpk= 0, iat= 415,1126, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45, &end
#
# 20 TYR HA 20 TYR QE 4.48
&rst
ixpk= 0, nxpk= 0, iat= 294, -1, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,
igr2= 302, 309,
&end
#
# 20 TYR QE 63 TRP HA 4.80
&rst
ixpk= 0, nxpk= 0, iat= -1, 941, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1= 302, 309,
&end
#
# 20 TYR QE 29 LYS HB2 4.32
&rst
ixpk= 0, nxpk= 0, iat= -1, 427, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
igr1= 302, 309,
&end
#
# 20 TYR QE 61 ALA QB 2.99
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53,
igr1= 302, 309,
igr2= 923, 924, 925,
&end
#
# 74 TRP HD1 76 LEU QD1 5.20
&rst
ixpk= 0, nxpk= 0, iat=1126, -1, r1= 1.30, r2= 1.80, r3= 6.24, r4= 6.74,
igr2=1165,1166,1167,
&end
#
# 22 VAL HA 74 TRP HD1 5.10
&rst
ixpk= 0, nxpk= 0, iat= 334,1126, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60, &end
#
# 22 VAL HB 74 TRP HD1 3.84
&rst
ixpk= 0, nxpk= 0, iat= 336,1126, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34, &end
#
# 20 TYR QE 29 LYS HB3 4.32
&rst
ixpk= 0, nxpk= 0, iat= -1, 428, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
igr1= 302, 309,
&end
#
# 22 VAL QG2 74 TRP HD1 4.22
&rst
ixpk= 0, nxpk= 0, iat= -1,1126, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,
igr1= 342, 343, 344,
&end
#
# 74 TRP HD1 76 LEU QD2 5.20
&rst
ixpk= 0, nxpk= 0, iat=1126, -1, r1= 1.30, r2= 1.80, r3= 6.24, r4= 6.74,
igr2=1169,1170,1171,
&end
#
# 68 TYR QD 69 GLU HN 4.99
&rst
ixpk= 0, nxpk= 0, iat= -1,1044, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,
igr1=1031,1040,
&end
#
# 20 TYR QE 61 ALA HN 4.99
&rst
ixpk= 0, nxpk= 0, iat= -1, 919, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,
igr1= 302, 309,
&end
#
# 74 TRP HD1 76 LEU HG 5.50
&rst
ixpk= 0, nxpk= 0, iat=1126,1163, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 49 TYR HN 49 TYR QD 4.19
&rst
ixpk= 0, nxpk= 0, iat= 751, -1, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,
igr2= 759, 768,
&end
#
# 49 TYR QD 50 GLY HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 772, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 759, 768,
&end
#
# 49 TYR HA 49 TYR QD 3.09
&rst
ixpk= 0, nxpk= 0, iat= 753, -1, r1= 1.30, r2= 1.80, r3= 3.47, r4= 3.97,
igr2= 759, 768,
&end
#
# 68 TYR HN 68 TYR QD 3.80
&rst
ixpk= 0, nxpk= 0, iat=1023, -1, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,
igr2=1031,1040,
&end
#
# 18 GLU HB3 19 GLY HN 3.70
&rst
ixpk= 0, nxpk= 0, iat= 275, 285, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20, &end
#
# 18 GLU HB2 19 GLY HN 3.70
&rst
ixpk= 0, nxpk= 0, iat= 274, 285, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20, &end
#
# 19 GLY HN 67 LEU HB2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 285,1008, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 19 GLY HN 64 CYSS HN 4.47
&rst
ixpk= 0, nxpk= 0, iat= 285, 963, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97, &end
#
# 19 GLY HN 19 GLY HA3 2.92
&rst
ixpk= 0, nxpk= 0, iat= 285, 288, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42, &end
#
# 19 GLY HN 65 THR QG2 5.17
&rst
ixpk= 0, nxpk= 0, iat= 285, -1, r1= 1.30, r2= 1.80, r3= 6.21, r4= 6.71,
igr2= 979, 980, 981,
&end
#
# 58 TYR QE 63 TRP HZ2 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 952, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 878, 885,
&end
#
# 40 TYR QD 41 CYSS HA 4.46
&rst
ixpk= 0, nxpk= 0, iat= -1, 619, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51,
igr1= 604, 613,
&end
#
# 18 GLU HN 63 TRP HZ2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 270, 952, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 18 GLU HG3 63 TRP HZ2 5.14
&rst
ixpk= 0, nxpk= 0, iat= 278, 952, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64, &end
#
# 18 GLU HG2 63 TRP HZ2 5.14
&rst
ixpk= 0, nxpk= 0, iat= 277, 952, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64, &end
#
# 18 GLU HB3 63 TRP HZ2 3.50
&rst
ixpk= 0, nxpk= 0, iat= 275, 952, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 18 GLU HB2 63 TRP HZ2 3.50
&rst
ixpk= 0, nxpk= 0, iat= 274, 952, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 19 GLY HA2 63 TRP HZ2 4.18
&rst
ixpk= 0, nxpk= 0, iat= 287, 952, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68, &end
#
# 40 TYR HN 40 TYR QD 4.39
&rst
ixpk= 0, nxpk= 0, iat= 596, -1, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43,
igr2= 604, 613,
&end
#
# 32 CYSS HA 40 TYR QD 5.50
&rst
ixpk= 0, nxpk= 0, iat= 483, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 604, 613,
&end
#
# 40 TYR HA 40 TYR QD 3.23
&rst
ixpk= 0, nxpk= 0, iat= 598, -1, r1= 1.30, r2= 1.80, r3= 3.63, r4= 4.13,
igr2= 604, 613,
&end
#
# 40 TYR QD 43 ARG HG3 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 654, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 604, 613,
&end
#
# 22 VAL HN 22 VAL QG2 4.55
&rst
ixpk= 0, nxpk= 0, iat= 332, -1, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96,
igr2= 342, 343, 344,
&end
#
# 21 LEU QD1 22 VAL HN 4.56
&rst
ixpk= 0, nxpk= 0, iat= -1, 332, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98,
igr1= 322, 323, 324,
&end
#
# 22 VAL HN 22 VAL QG1 4.55
&rst
ixpk= 0, nxpk= 0, iat= 332, -1, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96,
igr2= 338, 339, 340,
&end
#
# 22 VAL HN 22 VAL HB 3.89
&rst
ixpk= 0, nxpk= 0, iat= 332, 336, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39, &end
#
# 22 VAL HN 23 SER HN 5.24
&rst
ixpk= 0, nxpk= 0, iat= 332, 348, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74, &end
#
# 78 ASN HN 79 LYS HN 3.33
&rst
ixpk= 0, nxpk= 0, iat=1189,1203, r1= 1.30, r2= 1.80, r3= 3.33, r4= 3.83, &end
#
# 21 LEU HA 22 VAL HN 3.25
&rst
ixpk= 0, nxpk= 0, iat= 315, 332, r1= 1.30, r2= 1.80, r3= 3.25, r4= 3.75, &end
#
# 77 PRO HA 79 LYS HN 5.41
&rst
ixpk= 0, nxpk= 0, iat=1185,1203, r1= 1.30, r2= 1.80, r3= 5.41, r4= 5.91, &end
#
# 22 VAL HN 23 SER HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= 332, 350, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 21 LEU HG 22 VAL HN 3.46
&rst
ixpk= 0, nxpk= 0, iat= 320, 332, r1= 1.30, r2= 1.80, r3= 3.46, r4= 3.96, &end
#
# 19 GLY HA2 63 TRP HH2 3.63
&rst
ixpk= 0, nxpk= 0, iat= 287, 954, r1= 1.30, r2= 1.80, r3= 3.63, r4= 4.13, &end
#
# 29 LYS QE 40 TYR QE 3.51
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92,
igr1= 436, 437,
igr2= 606, 613,
&end
#
# 36 GLY HN 56 TYR QD 5.50
&rst
ixpk= 0, nxpk= 0, iat= 551, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 845, 854,
&end
#
# 55 GLY HN 56 TYR QD 5.50
&rst
ixpk= 0, nxpk= 0, iat= 830, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 845, 854,
&end
#
# 56 TYR HA 56 TYR QD 4.02
&rst
ixpk= 0, nxpk= 0, iat= 839, -1, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01,
igr2= 845, 854,
&end
#
# 36 GLY HA2 56 TYR QD 5.50
&rst
ixpk= 0, nxpk= 0, iat= 553, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 845, 854,
&end
#
# 21 LEU QD1 40 TYR QE 3.34
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,
igr1= 322, 323, 324,
igr2= 606, 613,
&end
#
# 21 LEU QD2 40 TYR QE 3.42
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,
igr1= 326, 327, 328,
igr2= 606, 613,
&end
#
# 56 TYR QD 57 CYSS HN 4.22
&rst
ixpk= 0, nxpk= 0, iat= -1, 858, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,
igr1= 845, 854,
&end
#
# 56 TYR HN 56 TYR QD 4.22
&rst
ixpk= 0, nxpk= 0, iat= 837, -1, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,
igr2= 845, 854,
&end
#
# 19 GLY HA3 63 TRP HZ3 5.50
&rst
ixpk= 0, nxpk= 0, iat= 288, 956, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 58 TYR QD 63 TRP HE1 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 949, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 876, 885,
&end
#
# 56 TYR HN 56 TYR QE 5.50
&rst
ixpk= 0, nxpk= 0, iat= 837, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 847, 854,
&end
#
# 56 TYR HN 58 TYR QD 5.50
&rst
ixpk= 0, nxpk= 0, iat= 837, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 876, 885,
&end
#
# 56 TYR HB3 58 TYR QD 5.50
&rst
ixpk= 0, nxpk= 0, iat= 842, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 876, 885,
&end
#
# 56 TYR HA 56 TYR QE 5.50
&rst
ixpk= 0, nxpk= 0, iat= 839, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 847, 854,
&end
#
# 56 TYR HA 58 TYR QD 5.50
&rst
ixpk= 0, nxpk= 0, iat= 839, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 876, 885,
&end
#
# 58 TYR HA 58 TYR QD 4.46
&rst
ixpk= 0, nxpk= 0, iat= 870, -1, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51,
igr2= 876, 885,
&end
#
# 58 TYR QD 63 TRP HB3 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 944, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 876, 885,
&end
#
# 58 TYR QE 63 TRP HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 939, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 878, 885,
&end
#
# 63 TRP HN 63 TRP HD1 5.50
&rst
ixpk= 0, nxpk= 0, iat= 939, 947, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 63 TRP HD1 64 CYSS HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= 947, 963, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 63 TRP HD1 65 THR HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= 947, 973, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 56 TYR QD 58 TYR QE 4.75
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.98, r4= 6.48,
igr1= 845, 854,
igr2= 878, 885,
&end
#
# 63 TRP HA 63 TRP HD1 4.49
&rst
ixpk= 0, nxpk= 0, iat= 941, 947, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99, &end
#
# 58 TYR HB3 63 TRP HD1 5.50
&rst
ixpk= 0, nxpk= 0, iat= 873, 947, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 58 TYR HB2 63 TRP HD1 5.50
&rst
ixpk= 0, nxpk= 0, iat= 872, 947, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 63 TRP HB3 63 TRP HD1 3.44
&rst
ixpk= 0, nxpk= 0, iat= 944, 947, r1= 1.30, r2= 1.80, r3= 3.44, r4= 3.94, &end
#
# 63 TRP HD1 65 THR QG2 2.85
&rst
ixpk= 0, nxpk= 0, iat= 947, -1, r1= 1.30, r2= 1.80, r3= 3.42, r4= 3.92,
igr2= 979, 980, 981,
&end
#
# 64 CYSS HA 65 THR HA 5.03
&rst
ixpk= 0, nxpk= 0, iat= 965, 975, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53, &end
#
# 20 TYR QD 63 TRP HE3 3.85
&rst
ixpk= 0, nxpk= 0, iat= -1, 958, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82,
igr1= 300, 309,
&end
#
# 63 TRP HA 63 TRP HE3 3.70
&rst
ixpk= 0, nxpk= 0, iat= 941, 958, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20, &end
#
# 63 TRP HB2 63 TRP HE3 3.50
&rst
ixpk= 0, nxpk= 0, iat= 943, 958, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 19 GLY HA2 63 TRP HE3 5.10
&rst
ixpk= 0, nxpk= 0, iat= 287, 958, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60, &end
#
# 32 CYSS HN 61 ALA HA 3.72
&rst
ixpk= 0, nxpk= 0, iat= 481, 921, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22, &end
#
# 31 GLU HA 61 ALA HA 3.15
&rst
ixpk= 0, nxpk= 0, iat= 468, 921, r1= 1.30, r2= 1.80, r3= 3.15, r4= 3.65, &end
#
# 62 CYSS HA 63 TRP HB3 5.46
&rst
ixpk= 0, nxpk= 0, iat= 931, 944, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96, &end
#
# 61 ALA QB 62 CYSS HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 931, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 923, 924, 925,
&end
#
# 22 VAL HA 22 VAL QG2 3.73
&rst
ixpk= 0, nxpk= 0, iat= 334, -1, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98,
igr2= 342, 343, 344,
&end
#
# 22 VAL HA 22 VAL QG1 3.73
&rst
ixpk= 0, nxpk= 0, iat= 334, -1, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98,
igr2= 338, 339, 340,
&end
#
# 20 TYR HA 63 TRP HE3 4.54
&rst
ixpk= 0, nxpk= 0, iat= 294, 958, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04, &end
#
# 27 GLY HN 28 CYSS HA 5.27
&rst
ixpk= 0, nxpk= 0, iat= 406, 415, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77, &end
#
# 20 TYR QE 31 GLU HA 5.39
&rst
ixpk= 0, nxpk= 0, iat= -1, 468, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
igr1= 302, 309,
&end
#
# 37 ASP HA 38 ASN HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= 560, 572, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 20 TYR HB2 73 VAL HA 3.47
&rst
ixpk= 0, nxpk= 0, iat= 296,1104, r1= 1.30, r2= 1.80, r3= 3.47, r4= 3.97, &end
#
# 20 TYR HB3 73 VAL HA 4.37
&rst
ixpk= 0, nxpk= 0, iat= 297,1104, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87, &end
#
# 20 TYR HA 73 VAL HA 5.04
&rst
ixpk= 0, nxpk= 0, iat= 294,1104, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54, &end
#
# 20 TYR QE 29 LYS HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 425, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 302, 309,
&end
#
# 18 GLU HA 67 LEU HG 5.50
&rst
ixpk= 0, nxpk= 0, iat= 272,1011, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 21 LEU QD1 45 CYSS HA 5.24
&rst
ixpk= 0, nxpk= 0, iat= -1, 687, r1= 1.30, r2= 1.80, r3= 6.29, r4= 6.79,
igr1= 322, 323, 324,
&end
#
# 45 CYSS HA 49 TYR QD 4.13
&rst
ixpk= 0, nxpk= 0, iat= 687, -1, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,
igr2= 759, 768,
&end
#
# 21 LEU QD2 45 CYSS HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 687, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 326, 327, 328,
&end
#
# 45 CYSS HA 49 TYR HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= 687, 751, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 36 GLY HA3 56 TYR QD 5.50
&rst
ixpk= 0, nxpk= 0, iat= 554, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 845, 854,
&end
#
# 45 CYSS HA 50 GLY HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= 687, 772, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 70 GLN HA 70 GLN QG 3.76
&rst
ixpk= 0, nxpk= 0, iat=1061, -1, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72,
igr2=1066,1067,
&end
#
# 67 LEU HA 67 LEU HG 3.35
&rst
ixpk= 0, nxpk= 0, iat=1006,1011, r1= 1.30, r2= 1.80, r3= 3.35, r4= 3.85, &end
#
# 70 GLN HB2 71 ALA HA 5.16
&rst
ixpk= 0, nxpk= 0, iat=1063,1078, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66, &end
#
# 77 PRO HA 78 ASN HA 4.57
&rst
ixpk= 0, nxpk= 0, iat=1185,1191, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07, &end
#
# 72 VAL HA 73 VAL QG2 4.06
&rst
ixpk= 0, nxpk= 0, iat=1088, -1, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,
igr2=1112,1113,1114,
&end
#
# 72 VAL HA 72 VAL QG1 3.30
&rst
ixpk= 0, nxpk= 0, iat=1088, -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
igr2=1092,1093,1094,
&end
#
# 48 GLN HA 49 TYR QD 5.50
&rst
ixpk= 0, nxpk= 0, iat= 736, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 759, 768,
&end
#
# 22 VAL HB 74 TRP HA 4.57
&rst
ixpk= 0, nxpk= 0, iat= 336,1120, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07, &end
#
# 24 LYS HA 24 LYS HG3 3.66
&rst
ixpk= 0, nxpk= 0, iat= 361, 367, r1= 1.30, r2= 1.80, r3= 3.66, r4= 4.16, &end
#
# 22 VAL QG2 74 TRP HA 3.84
&rst
ixpk= 0, nxpk= 0, iat= -1,1120, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,
igr1= 342, 343, 344,
&end
#
# 22 VAL QG1 74 TRP HA 3.84
&rst
ixpk= 0, nxpk= 0, iat= -1,1120, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,
igr1= 338, 339, 340,
&end
#
# 74 TRP HA 74 TRP HD1 4.45
&rst
ixpk= 0, nxpk= 0, iat=1120,1126, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95, &end
#
# 24 LYS HA 24 LYS HG2 3.66
&rst
ixpk= 0, nxpk= 0, iat= 361, 366, r1= 1.30, r2= 1.80, r3= 3.66, r4= 4.16, &end
#
# 59 ALA HN 60 PHE HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= 889, 901, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 80 THR HN 80 THR HB 3.76
&rst
ixpk= 0, nxpk= 0, iat=1225,1229, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26, &end
#
# 26 THR HB 28 CYSS HN 4.96
&rst
ixpk= 0, nxpk= 0, iat= 396, 413, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46, &end
#
# 71 ALA HA 72 VAL HN 2.65
&rst
ixpk= 0, nxpk= 0, iat=1078,1086, r1= 1.30, r2= 1.80, r3= 2.65, r4= 3.15, &end
#
# 49 TYR QD 71 ALA HA 4.60
&rst
ixpk= 0, nxpk= 0, iat= -1,1078, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
igr1= 759, 768,
&end
#
# 53 SER HN 53 SER HB3 3.78
&rst
ixpk= 0, nxpk= 0, iat= 812, 817, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28, &end
#
# 51 LYS HA 53 SER HN 4.55
&rst
ixpk= 0, nxpk= 0, iat= 781, 812, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05, &end
#
# 51 LYS HA 51 LYS QB 2.49
&rst
ixpk= 0, nxpk= 0, iat= 781, -1, r1= 1.30, r2= 1.80, r3= 2.79, r4= 3.29,
igr2= 783, 784,
&end
#
# 43 ARG HG3 44 GLU HA 3.51
&rst
ixpk= 0, nxpk= 0, iat= 654, 672, r1= 1.30, r2= 1.80, r3= 3.51, r4= 4.01, &end
#
# 51 LYS HA 51 LYS QG 2.65
&rst
ixpk= 0, nxpk= 0, iat= 781, -1, r1= 1.30, r2= 1.80, r3= 2.97, r4= 3.47,
igr2= 786, 787,
&end
#
# 43 ARG HA 46 LYS HN 4.21
&rst
ixpk= 0, nxpk= 0, iat= 648, 695, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71, &end
#
# 43 ARG HA 43 ARG QD 4.65
&rst
ixpk= 0, nxpk= 0, iat= 648, -1, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
igr2= 656, 657,
&end
#
# 43 ARG HA 43 ARG HB2 2.89
&rst
ixpk= 0, nxpk= 0, iat= 648, 650, r1= 1.30, r2= 1.80, r3= 2.89, r4= 3.39, &end
#
# 25 SER HN 25 SER QB 3.03
&rst
ixpk= 0, nxpk= 0, iat= 381, -1, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90,
igr2= 385, 386,
&end
#
# 25 SER HA 25 SER QB 2.83
&rst
ixpk= 0, nxpk= 0, iat= 383, -1, r1= 1.30, r2= 1.80, r3= 3.18, r4= 3.68,
igr2= 385, 386,
&end
#
# 25 SER QB 26 THR QG2 3.76
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,
igr1= 385, 386,
igr2= 398, 399, 400,
&end
#
# 69 GLU HA 71 ALA HN 4.98
&rst
ixpk= 0, nxpk= 0, iat=1046,1076, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48, &end
#
# 68 TYR HA 69 GLU HA 4.34
&rst
ixpk= 0, nxpk= 0, iat=1025,1046, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84, &end
#
# 69 GLU HA 69 GLU QG 3.57
&rst
ixpk= 0, nxpk= 0, iat=1046, -1, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51,
igr2=1051,1052,
&end
#
# 35 LEU HA 35 LEU QD1 4.95
&rst
ixpk= 0, nxpk= 0, iat= 534, -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr2= 541, 542, 543,
&end
#
# 54 GLY HN 66 HIS QB 3.81
&rst
ixpk= 0, nxpk= 0, iat= 823, -1, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78,
igr2= 991, 992,
&end
#
# 53 SER HA 66 HIS QB 2.97
&rst
ixpk= 0, nxpk= 0, iat= 814, -1, r1= 1.30, r2= 1.80, r3= 3.33, r4= 3.83,
igr2= 991, 992,
&end
#
# 66 HIS HA 66 HIS QB 2.71
&rst
ixpk= 0, nxpk= 0, iat= 989, -1, r1= 1.30, r2= 1.80, r3= 3.04, r4= 3.54,
igr2= 991, 992,
&end
#
# 35 LEU QD1 59 ALA HA 4.93
&rst
ixpk= 0, nxpk= 0, iat= -1, 891, r1= 1.30, r2= 1.80, r3= 5.92, r4= 6.42,
igr1= 541, 542, 543,
&end
#
# 19 GLY HA3 73 VAL HB 4.28
&rst
ixpk= 0, nxpk= 0, iat= 288,1106, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78, &end
#
# 73 VAL QG2 75 PRO QD 4.13
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07,
igr1=1112,1113,1114,
igr2=1143,1144,
&end
#
# 19 GLY HA3 63 TRP HH2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 288, 954, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 20 TYR HB3 21 LEU QD1 5.50
&rst
ixpk= 0, nxpk= 0, iat= 297, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 322, 323, 324,
&end
#
# 73 VAL HA 75 PRO QD 5.50
&rst
ixpk= 0, nxpk= 0, iat=1104, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1143,1144,
&end
#
# 74 TRP HD1 75 PRO QD 5.50
&rst
ixpk= 0, nxpk= 0, iat=1126, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1143,1144,
&end
#
# 56 TYR HB2 58 TYR QD 5.50
&rst
ixpk= 0, nxpk= 0, iat= 841, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 876, 885,
&end
#
# 56 TYR HB2 57 CYSS HN 3.96
&rst
ixpk= 0, nxpk= 0, iat= 841, 858, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46, &end
#
# 20 TYR HB2 21 LEU HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= 296, 313, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 20 TYR HB2 73 VAL HB 5.28
&rst
ixpk= 0, nxpk= 0, iat= 296,1106, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78, &end
#
# 51 LYS QB 51 LYS QE 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 783, 784,
igr2= 792, 793,
&end
#
# 51 LYS QG 51 LYS QE 3.89
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,
igr1= 786, 787,
igr2= 792, 793,
&end
#
# 29 LYS QE 40 TYR QD 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 436, 437,
igr2= 604, 613,
&end
#
# 29 LYS HA 29 LYS QE 3.30
&rst
ixpk= 0, nxpk= 0, iat= 425, -1, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
igr2= 436, 437,
&end
#
# 21 LEU QD2 62 CYSS HB3 4.80
&rst
ixpk= 0, nxpk= 0, iat= -1, 934, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26,
igr1= 326, 327, 328,
&end
#
# 62 CYSS HB3 63 TRP HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= 934, 939, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 29 LYS QD 62 CYSS HB3 5.15
&rst
ixpk= 0, nxpk= 0, iat= -1, 934, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28,
igr1= 433, 434,
&end
#
# 58 TYR HN 63 TRP HB2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 868, 943, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 20 TYR QD 63 TRP HB2 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 943, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 300, 309,
&end
#
# 62 CYSS HA 63 TRP HB2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 931, 943, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 39 ASP HN 39 ASP QB 3.27
&rst
ixpk= 0, nxpk= 0, iat= 584, -1, r1= 1.30, r2= 1.80, r3= 3.67, r4= 4.17,
igr2= 588, 589,
&end
#
# 38 ASN HA 39 ASP QB 4.62
&rst
ixpk= 0, nxpk= 0, iat= 572, -1, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,
igr2= 588, 589,
&end
#
# 39 ASP QB 42 LEU QD1 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 588, 589,
igr2= 636, 637, 638,
&end
#
# 39 ASP HA 39 ASP QB 2.77
&rst
ixpk= 0, nxpk= 0, iat= 586, -1, r1= 1.30, r2= 1.80, r3= 3.11, r4= 3.61,
igr2= 588, 589,
&end
#
# 39 ASP QB 42 LEU HB2 4.51
&rst
ixpk= 0, nxpk= 0, iat= -1, 631, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,
igr1= 588, 589,
&end
#
# 39 ASP QB 42 LEU HB3 4.51
&rst
ixpk= 0, nxpk= 0, iat= -1, 632, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,
igr1= 588, 589,
&end
#
# 21 LEU QD2 62 CYSS HB2 4.80
&rst
ixpk= 0, nxpk= 0, iat= -1, 933, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26,
igr1= 326, 327, 328,
&end
#
# 70 GLN HA 70 GLN HB3 2.98
&rst
ixpk= 0, nxpk= 0, iat=1061,1064, r1= 1.30, r2= 1.80, r3= 2.98, r4= 3.48, &end
#
# 70 GLN HB3 70 GLN QG 2.55
&rst
ixpk= 0, nxpk= 0, iat=1064, -1, r1= 1.30, r2= 1.80, r3= 2.86, r4= 3.36,
igr2=1066,1067,
&end
#
# 69 GLU HB2 69 GLU QG 2.94
&rst
ixpk= 0, nxpk= 0, iat=1048, -1, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,
igr2=1051,1052,
&end
#
# 70 GLN HB2 70 GLN QG 2.55
&rst
ixpk= 0, nxpk= 0, iat=1063, -1, r1= 1.30, r2= 1.80, r3= 2.86, r4= 3.36,
igr2=1066,1067,
&end
#
# 73 VAL HA 73 VAL HB 2.73
&rst
ixpk= 0, nxpk= 0, iat=1104,1106, r1= 1.30, r2= 1.80, r3= 2.73, r4= 3.23, &end
#
# 18 GLU HG2 63 TRP HE1 5.50
&rst
ixpk= 0, nxpk= 0, iat= 277, 949, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 47 GLN HN 47 GLN HG2 3.56
&rst
ixpk= 0, nxpk= 0, iat= 717, 724, r1= 1.30, r2= 1.80, r3= 3.56, r4= 4.06, &end
#
# 69 GLU HN 69 GLU HB2 3.81
&rst
ixpk= 0, nxpk= 0, iat=1044,1048, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31, &end
#
# 69 GLU HN 70 GLN QG 4.18
&rst
ixpk= 0, nxpk= 0, iat=1044, -1, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19,
igr2=1066,1067,
&end
#
# 42 LEU HN 42 LEU HB3 3.30
&rst
ixpk= 0, nxpk= 0, iat= 627, 632, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 68 TYR HA 70 GLN QG 5.21
&rst
ixpk= 0, nxpk= 0, iat=1025, -1, r1= 1.30, r2= 1.80, r3= 5.85, r4= 6.35,
igr2=1066,1067,
&end
#
# 51 LYS QB 51 LYS QG 2.86
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr1= 783, 784,
igr2= 786, 787,
&end
#
# 43 ARG HA 43 ARG HB3 2.89
&rst
ixpk= 0, nxpk= 0, iat= 648, 651, r1= 1.30, r2= 1.80, r3= 2.89, r4= 3.39, &end
#
# 43 ARG HB3 44 GLU HN 4.24
&rst
ixpk= 0, nxpk= 0, iat= 651, 670, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74, &end
#
# 43 ARG HN 43 ARG HB2 4.00
&rst
ixpk= 0, nxpk= 0, iat= 646, 650, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 21 LEU HB3 22 VAL HN 4.57
&rst
ixpk= 0, nxpk= 0, iat= 318, 332, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07, &end
#
# 35 LEU HG 59 ALA HN 4.54
&rst
ixpk= 0, nxpk= 0, iat= 539, 889, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04, &end
#
# 76 LEU HA 76 LEU QD2 4.80
&rst
ixpk= 0, nxpk= 0, iat=1158, -1, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26,
igr2=1169,1170,1171,
&end
#
# 42 LEU HN 43 ARG HG2 3.93
&rst
ixpk= 0, nxpk= 0, iat= 627, 653, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, &end
#
# 40 TYR HA 43 ARG HG2 3.75
&rst
ixpk= 0, nxpk= 0, iat= 598, 653, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25, &end
#
# 43 ARG HA 43 ARG HG2 3.86
&rst
ixpk= 0, nxpk= 0, iat= 648, 653, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36, &end
#
# 19 GLY HA2 63 TRP HZ3 5.50
&rst
ixpk= 0, nxpk= 0, iat= 287, 956, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 19 GLY HA2 73 VAL QG1 3.80
&rst
ixpk= 0, nxpk= 0, iat= 287, -1, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06,
igr2=1108,1109,1110,
&end
#
# 19 GLY HA2 73 VAL QG2 4.93
&rst
ixpk= 0, nxpk= 0, iat= 287, -1, r1= 1.30, r2= 1.80, r3= 5.92, r4= 6.42,
igr2=1112,1113,1114,
&end
#
# 24 LYS HA 24 LYS QD 4.06
&rst
ixpk= 0, nxpk= 0, iat= 361, -1, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06,
igr2= 369, 370,
&end
#
# 24 LYS HN 24 LYS QD 4.65
&rst
ixpk= 0, nxpk= 0, iat= 359, -1, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
igr2= 369, 370,
&end
#
# 35 LEU HN 35 LEU HB3 3.20
&rst
ixpk= 0, nxpk= 0, iat= 532, 537, r1= 1.30, r2= 1.80, r3= 3.20, r4= 3.70, &end
#
# 48 GLN HA 48 GLN HG3 3.87
&rst
ixpk= 0, nxpk= 0, iat= 736, 742, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37, &end
#
# 51 LYS HN 51 LYS QD 5.50
&rst
ixpk= 0, nxpk= 0, iat= 779, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 789, 790,
&end
#
# 29 LYS QD 40 TYR QE 3.89
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,
igr1= 433, 434,
igr2= 606, 613,
&end
#
# 21 LEU HB2 22 VAL HN 4.57
&rst
ixpk= 0, nxpk= 0, iat= 317, 332, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07, &end
#
# 29 LYS QD 62 CYSS HB2 5.15
&rst
ixpk= 0, nxpk= 0, iat= -1, 933, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28,
igr1= 433, 434,
&end
#
# 40 TYR HA 43 ARG HG3 3.52
&rst
ixpk= 0, nxpk= 0, iat= 598, 654, r1= 1.30, r2= 1.80, r3= 3.52, r4= 4.02, &end
#
# 21 LEU QD2 29 LYS QG 4.60
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70,
igr1= 326, 327, 328,
igr2= 430, 431,
&end
#
# 20 TYR HB3 29 LYS QG 4.07
&rst
ixpk= 0, nxpk= 0, iat= 297, -1, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07,
igr2= 430, 431,
&end
#
# 34 LYS HN 34 LYS QG 3.82
&rst
ixpk= 0, nxpk= 0, iat= 510, -1, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79,
igr2= 517, 518,
&end
#
# 29 LYS HA 29 LYS QG 3.48
&rst
ixpk= 0, nxpk= 0, iat= 425, -1, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41,
igr2= 430, 431,
&end
#
# 51 LYS QG 53 SER HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 812, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 786, 787,
&end
#
# 34 LYS QG 35 LEU HN 4.17
&rst
ixpk= 0, nxpk= 0, iat= -1, 532, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,
igr1= 517, 518,
&end
#
# 42 LEU HN 42 LEU HG 4.80
&rst
ixpk= 0, nxpk= 0, iat= 627, 634, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, &end
#
# 42 LEU HA 42 LEU HG 3.53
&rst
ixpk= 0, nxpk= 0, iat= 629, 634, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03, &end
#
# 51 LYS QG 51 LYS QD 2.44
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.07, r4= 3.57,
igr1= 786, 787,
igr2= 789, 790,
&end
#
# 51 LYS HN 51 LYS QG 4.17
&rst
ixpk= 0, nxpk= 0, iat= 779, -1, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,
igr2= 786, 787,
&end
#
# 17 LYS HN 17 LYS HB3 3.25
&rst
ixpk= 0, nxpk= 0, iat= 248, 253, r1= 1.30, r2= 1.80, r3= 3.25, r4= 3.75, &end
#
# 35 LEU HB2 36 GLY HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= 536, 551, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 21 LEU HG 29 LYS QE 5.50
&rst
ixpk= 0, nxpk= 0, iat= 320, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 436, 437,
&end
#
# 35 LEU HA 35 LEU HG 4.06
&rst
ixpk= 0, nxpk= 0, iat= 534, 539, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56, &end
#
# 31 GLU HA 61 ALA QB 3.26
&rst
ixpk= 0, nxpk= 0, iat= 468, -1, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42,
igr2= 923, 924, 925,
&end
#
# 29 LYS QE 61 ALA QB 5.32
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.17, r4= 7.67,
igr1= 436, 437,
igr2= 923, 924, 925,
&end
#
# 31 GLU HN 61 ALA QB 5.50
&rst
ixpk= 0, nxpk= 0, iat= 466, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 923, 924, 925,
&end
#
# 80 THR HA 80 THR QG2 3.34
&rst
ixpk= 0, nxpk= 0, iat=1227, -1, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51,
igr2=1231,1232,1233,
&end
#
# 26 THR QG2 28 CYSS HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 413, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 398, 399, 400,
&end
#
# 26 THR HA 26 THR QG2 3.29
&rst
ixpk= 0, nxpk= 0, iat= 394, -1, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45,
igr2= 398, 399, 400,
&end
#
# 64 CYSS HA 65 THR QG2 4.35
&rst
ixpk= 0, nxpk= 0, iat= 965, -1, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
igr2= 979, 980, 981,
&end
#
# 65 THR HA 65 THR QG2 2.46
&rst
ixpk= 0, nxpk= 0, iat= 975, -1, r1= 1.30, r2= 1.80, r3= 2.95, r4= 3.45,
igr2= 979, 980, 981,
&end
#
# 63 TRP HE1 65 THR QG2 3.57
&rst
ixpk= 0, nxpk= 0, iat= 949, -1, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79,
igr2= 979, 980, 981,
&end
#
# 65 THR QG2 66 HIS HN 4.17
&rst
ixpk= 0, nxpk= 0, iat= -1, 987, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51,
igr1= 979, 980, 981,
&end
#
# 65 THR HN 65 THR QG2 3.60
&rst
ixpk= 0, nxpk= 0, iat= 973, -1, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82,
igr2= 979, 980, 981,
&end
#
# 63 TRP HZ2 65 THR QG2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 952, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 979, 980, 981,
&end
#
# 42 LEU HA 42 LEU QD2 4.01
&rst
ixpk= 0, nxpk= 0, iat= 629, -1, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32,
igr2= 640, 641, 642,
&end
#
# 42 LEU HB2 42 LEU QD2 3.46
&rst
ixpk= 0, nxpk= 0, iat= 631, -1, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66,
igr2= 640, 641, 642,
&end
#
# 39 ASP QB 42 LEU QD2 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 588, 589,
igr2= 640, 641, 642,
&end
#
# 42 LEU HB3 42 LEU QD2 3.46
&rst
ixpk= 0, nxpk= 0, iat= 632, -1, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66,
igr2= 640, 641, 642,
&end
#
# 22 VAL QG2 74 TRP HB3 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1123, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 342, 343, 344,
&end
#
# 22 VAL QG2 74 TRP HB2 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1122, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 342, 343, 344,
&end
#
# 72 VAL HA 72 VAL QG2 3.30
&rst
ixpk= 0, nxpk= 0, iat=1088, -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
igr2=1096,1097,1098,
&end
#
# 25 SER HN 26 THR QG2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 381, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 398, 399, 400,
&end
#
# 42 LEU QD2 43 ARG HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 646, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 640, 641, 642,
&end
#
# 42 LEU HB3 42 LEU QD1 3.46
&rst
ixpk= 0, nxpk= 0, iat= 632, -1, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66,
igr2= 636, 637, 638,
&end
#
# 42 LEU QD1 43 ARG HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 646, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 636, 637, 638,
&end
#
# 42 LEU HA 42 LEU QD1 4.01
&rst
ixpk= 0, nxpk= 0, iat= 629, -1, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32,
igr2= 636, 637, 638,
&end
#
# 42 LEU HB2 42 LEU QD1 3.46
&rst
ixpk= 0, nxpk= 0, iat= 631, -1, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66,
igr2= 636, 637, 638,
&end
#
# 58 TYR HA 59 ALA QB 4.97
&rst
ixpk= 0, nxpk= 0, iat= 870, -1, r1= 1.30, r2= 1.80, r3= 5.97, r4= 6.47,
igr2= 893, 894, 895,
&end
#
# 72 VAL HN 72 VAL QG1 4.33
&rst
ixpk= 0, nxpk= 0, iat=1086, -1, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,
igr2=1092,1093,1094,
&end
#
# 33 LEU QB 33 LEU QD2 4.15
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.59, r4= 6.09,
igr1= 495, 496,
igr2= 504, 505, 506,
&end
#
# 18 GLU HA 67 LEU HB2 3.69
&rst
ixpk= 0, nxpk= 0, iat= 272,1008, r1= 1.30, r2= 1.80, r3= 3.69, r4= 4.19, &end
#
# 68 TYR HN 71 ALA QB 3.87
&rst
ixpk= 0, nxpk= 0, iat=1023, -1, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,
igr2=1080,1081,1082,
&end
#
# 70 GLN HN 71 ALA QB 4.84
&rst
ixpk= 0, nxpk= 0, iat=1059, -1, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31,
igr2=1080,1081,1082,
&end
#
# 49 TYR QD 71 ALA QB 3.63
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39,
igr1= 759, 768,
igr2=1080,1081,1082,
&end
#
# 33 LEU QB 33 LEU QD1 4.15
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.59, r4= 6.09,
igr1= 495, 496,
igr2= 500, 501, 502,
&end
#
# 59 ALA QB 60 PHE HA 4.30
&rst
ixpk= 0, nxpk= 0, iat= -1, 901, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
igr1= 893, 894, 895,
&end
#
# 49 TYR HB3 71 ALA QB 5.50
&rst
ixpk= 0, nxpk= 0, iat= 756, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1080,1081,1082,
&end
#
# 74 TRP HA 76 LEU HG 5.09
&rst
ixpk= 0, nxpk= 0, iat=1120,1163, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59, &end
#
# 49 TYR HB2 71 ALA QB 5.50
&rst
ixpk= 0, nxpk= 0, iat= 755, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1080,1081,1082,
&end
#
# 70 GLN HB2 71 ALA QB 5.50
&rst
ixpk= 0, nxpk= 0, iat=1063, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1080,1081,1082,
&end
#
# 22 VAL QG1 74 TRP HB2 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1122, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 338, 339, 340,
&end
#
# 22 VAL QG1 74 TRP HB3 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1123, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 338, 339, 340,
&end
#
# 13 ILE QG2 14 GLU HN 4.08
&rst
ixpk= 0, nxpk= 0, iat= -1, 202, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,
igr1= 189, 190, 191,
&end
#
# 35 LEU QD2 36 GLY HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 551, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 545, 546, 547,
&end
#
# 35 LEU QD2 59 ALA HA 4.93
&rst
ixpk= 0, nxpk= 0, iat= -1, 891, r1= 1.30, r2= 1.80, r3= 5.92, r4= 6.42,
igr1= 545, 546, 547,
&end
#
# 35 LEU HB2 35 LEU QD2 3.29
&rst
ixpk= 0, nxpk= 0, iat= 536, -1, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45,
igr2= 545, 546, 547,
&end
#
# 35 LEU HB3 35 LEU QD2 3.29
&rst
ixpk= 0, nxpk= 0, iat= 537, -1, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45,
igr2= 545, 546, 547,
&end
#
# 35 LEU HA 35 LEU QD2 4.95
&rst
ixpk= 0, nxpk= 0, iat= 534, -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr2= 545, 546, 547,
&end
#
# 73 VAL HN 73 VAL QG1 3.01
&rst
ixpk= 0, nxpk= 0, iat=1102, -1, r1= 1.30, r2= 1.80, r3= 3.61, r4= 4.11,
igr2=1108,1109,1110,
&end
#
# 19 GLY HA3 73 VAL QG1 3.57
&rst
ixpk= 0, nxpk= 0, iat= 288, -1, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79,
igr2=1108,1109,1110,
&end
#
# 73 VAL HA 73 VAL QG1 3.49
&rst
ixpk= 0, nxpk= 0, iat=1104, -1, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69,
igr2=1108,1109,1110,
&end
#
# 72 VAL HA 73 VAL QG1 3.73
&rst
ixpk= 0, nxpk= 0, iat=1088, -1, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98,
igr2=1108,1109,1110,
&end
#
# 21 LEU HN 21 LEU QD1 5.50
&rst
ixpk= 0, nxpk= 0, iat= 313, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 322, 323, 324,
&end
#
# 21 LEU QD1 23 SER HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 348, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 322, 323, 324,
&end
#
# 21 LEU QD1 44 GLU HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 670, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 322, 323, 324,
&end
#
# 20 TYR QD 21 LEU QD1 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 300, 309,
igr2= 322, 323, 324,
&end
#
# 21 LEU HA 21 LEU QD1 3.79
&rst
ixpk= 0, nxpk= 0, iat= 315, -1, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05,
igr2= 322, 323, 324,
&end
#
# 21 LEU QD1 29 LYS QE 5.10
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.87, r4= 7.37,
igr1= 322, 323, 324,
igr2= 436, 437,
&end
#
# 21 LEU HB3 21 LEU QD1 3.44
&rst
ixpk= 0, nxpk= 0, iat= 318, -1, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63,
igr2= 322, 323, 324,
&end
#
# 21 LEU HB2 21 LEU QD1 3.44
&rst
ixpk= 0, nxpk= 0, iat= 317, -1, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63,
igr2= 322, 323, 324,
&end
#
# 21 LEU QD1 29 LYS QD 3.97
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85,
igr1= 322, 323, 324,
igr2= 433, 434,
&end
#
# 21 LEU QD1 44 GLU HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 672, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 322, 323, 324,
&end
#
# 35 LEU HN 35 LEU QD1 5.02
&rst
ixpk= 0, nxpk= 0, iat= 532, -1, r1= 1.30, r2= 1.80, r3= 6.03, r4= 6.53,
igr2= 541, 542, 543,
&end
#
# 76 LEU HA 76 LEU QD1 4.80
&rst
ixpk= 0, nxpk= 0, iat=1158, -1, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26,
igr2=1165,1166,1167,
&end
#
# 73 VAL HN 73 VAL QG2 3.82
&rst
ixpk= 0, nxpk= 0, iat=1102, -1, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09,
igr2=1112,1113,1114,
&end
#
# 21 LEU HN 21 LEU QD2 5.12
&rst
ixpk= 0, nxpk= 0, iat= 313, -1, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65,
igr2= 326, 327, 328,
&end
#
# 20 TYR QE 21 LEU QD2 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 302, 309,
igr2= 326, 327, 328,
&end
#
# 73 VAL HA 73 VAL QG2 3.29
&rst
ixpk= 0, nxpk= 0, iat=1104, -1, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45,
igr2=1112,1113,1114,
&end
#
# 35 LEU HB2 35 LEU QD1 3.29
&rst
ixpk= 0, nxpk= 0, iat= 536, -1, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45,
igr2= 541, 542, 543,
&end
#
# 64 CYSS HA 67 LEU QD2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 965, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1017,1018,1019,
&end
#
# 67 LEU HA 67 LEU QD2 4.16
&rst
ixpk= 0, nxpk= 0, iat=1006, -1, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
igr2=1017,1018,1019,
&end
#
# 73 VAL QG2 74 TRP HA 4.26
&rst
ixpk= 0, nxpk= 0, iat= -1,1120, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
igr1=1112,1113,1114,
&end
#
# 64 CYSS HB3 67 LEU QD2 3.61
&rst
ixpk= 0, nxpk= 0, iat= 968, -1, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84,
igr2=1017,1018,1019,
&end
#
# 20 TYR HB2 73 VAL QG2 5.05
&rst
ixpk= 0, nxpk= 0, iat= 296, -1, r1= 1.30, r2= 1.80, r3= 6.06, r4= 6.56,
igr2=1112,1113,1114,
&end
#
# 67 LEU QD2 71 ALA QB 3.86
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07,
igr1=1017,1018,1019,
igr2=1080,1081,1082,
&end
#
# 45 CYSS HA 67 LEU QD2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 687, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1017,1018,1019,
&end
#
# 21 LEU QD2 44 GLU HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 672, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 326, 327, 328,
&end
#
# 21 LEU QD2 29 LYS QE 3.20
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81,
igr1= 326, 327, 328,
igr2= 436, 437,
&end
#
# 21 LEU HB3 21 LEU QD2 3.51
&rst
ixpk= 0, nxpk= 0, iat= 318, -1, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72,
igr2= 326, 327, 328,
&end
#
# 21 LEU HB2 21 LEU QD2 3.51
&rst
ixpk= 0, nxpk= 0, iat= 317, -1, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72,
igr2= 326, 327, 328,
&end
#
# 21 LEU QD2 29 LYS QD 3.30
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95,
igr1= 326, 327, 328,
igr2= 433, 434,
&end
#
# 35 LEU HB3 35 LEU QD1 3.29
&rst
ixpk= 0, nxpk= 0, iat= 537, -1, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45,
igr2= 541, 542, 543,
&end
#
# 67 LEU QD1 68 TYR HN 4.92
&rst
ixpk= 0, nxpk= 0, iat= -1,1023, r1= 1.30, r2= 1.80, r3= 5.91, r4= 6.41,
igr1=1013,1014,1015,
&end
#
# 67 LEU HA 67 LEU QD1 4.16
&rst
ixpk= 0, nxpk= 0, iat=1006, -1, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
igr2=1013,1014,1015,
&end
#
# 64 CYSS HB3 67 LEU QD1 3.61
&rst
ixpk= 0, nxpk= 0, iat= 968, -1, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84,
igr2=1013,1014,1015,
&end
#
# 64 CYSS HB2 67 LEU QD1 3.61
&rst
ixpk= 0, nxpk= 0, iat= 967, -1, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84,
igr2=1013,1014,1015,
&end
#
# 64 CYSS HN 67 LEU QD1 5.50
&rst
ixpk= 0, nxpk= 0, iat= 963, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1013,1014,1015,
&end
#
# 58 TYR HN 63 TRP HN 5.06
&rst
ixpk= 0, nxpk= 0, iat= 868, 939, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56, &end
#
# 79 LYS HN 79 LYS HB3 4.03
&rst
ixpk= 0, nxpk= 0, iat=1203,1208, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53, &end
#
# 79 LYS HN 79 LYS HB2 4.03
&rst
ixpk= 0, nxpk= 0, iat=1203,1207, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53, &end
#
# 79 LYS HN 79 LYS QG 4.85
&rst
ixpk= 0, nxpk= 0, iat=1203, -1, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94,
igr2=1210,1211,
&end
#
# 79 LYS HB3 80 THR HN 4.94
&rst
ixpk= 0, nxpk= 0, iat=1208,1225, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44, &end
#
# 70 GLN HB2 70 GLN HE22 5.29
&rst
ixpk= 0, nxpk= 0, iat=1063,1072, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79, &end
#
# 68 TYR QD 70 GLN QG 4.59
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28,
igr1=1031,1040,
igr2=1066,1067,
&end
#
# 68 TYR QD 70 GLN HN 4.35
&rst
ixpk= 0, nxpk= 0, iat= -1,1059, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,
igr1=1031,1040,
&end
#
# 68 TYR QD 70 GLN HB3 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1064, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1031,1040,
&end
#
# 70 GLN HB3 70 GLN HE22 5.50
&rst
ixpk= 0, nxpk= 0, iat=1064,1072, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 70 GLN HB3 70 GLN HE21 5.50
&rst
ixpk= 0, nxpk= 0, iat=1064,1071, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 31 GLU HN 31 GLU HG3 5.50
&rst
ixpk= 0, nxpk= 0, iat= 466, 474, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 74 TRP HE1 81 CYSS HB2 5.47
&rst
ixpk= 0, nxpk= 0, iat=1128,1243, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97, &end
#
# 23 SER HN 74 TRP HD1 5.50
&rst
ixpk= 0, nxpk= 0, iat= 348,1126, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 38 ASN HN 38 ASN HB3 3.93
&rst
ixpk= 0, nxpk= 0, iat= 570, 575, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, &end
#
# 66 HIS HA 66 HIS HE1 5.50
&rst
ixpk= 0, nxpk= 0, iat= 989, 996, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 48 GLN HN 48 GLN HG2 4.37
&rst
ixpk= 0, nxpk= 0, iat= 734, 741, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87, &end
#
# 48 GLN HN 48 GLN HB2 3.99
&rst
ixpk= 0, nxpk= 0, iat= 734, 738, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49, &end
#
# 48 GLN HN 48 GLN HG3 4.37
&rst
ixpk= 0, nxpk= 0, iat= 734, 742, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87, &end
#
# 48 GLN HN 48 GLN HB3 3.99
&rst
ixpk= 0, nxpk= 0, iat= 734, 739, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49, &end
#
# 48 GLN HA 48 GLN HG2 3.87
&rst
ixpk= 0, nxpk= 0, iat= 736, 741, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37, &end
#
# 48 GLN HN 49 TYR HN 3.26
&rst
ixpk= 0, nxpk= 0, iat= 734, 751, r1= 1.30, r2= 1.80, r3= 3.26, r4= 3.76, &end
#
# 74 TRP HE1 76 LEU QD1 5.50
&rst
ixpk= 0, nxpk= 0, iat=1128, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1165,1166,1167,
&end
#
# 70 GLN HB2 70 GLN HE21 5.29
&rst
ixpk= 0, nxpk= 0, iat=1063,1071, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79, &end
#
# 68 TYR QD 71 ALA QB 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1031,1040,
igr2=1080,1081,1082,
&end
#
# 70 GLN HB2 71 ALA HN 4.78
&rst
ixpk= 0, nxpk= 0, iat=1063,1076, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28, &end
#
# 70 GLN HB3 71 ALA HN 4.69
&rst
ixpk= 0, nxpk= 0, iat=1064,1076, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19, &end
#
# 69 GLU QG 70 GLN HN 4.35
&rst
ixpk= 0, nxpk= 0, iat= -1,1059, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,
igr1=1051,1052,
&end
#
# 69 GLU HB3 69 GLU QG 2.94
&rst
ixpk= 0, nxpk= 0, iat=1049, -1, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,
igr2=1051,1052,
&end
#
# 68 TYR HN 69 GLU HN 5.50
&rst
ixpk= 0, nxpk= 0, iat=1023,1044, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 68 TYR HA 68 TYR QD 3.49
&rst
ixpk= 0, nxpk= 0, iat=1025, -1, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42,
igr2=1031,1040,
&end
#
# 67 LEU QD1 71 ALA QB 3.86
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07,
igr1=1013,1014,1015,
igr2=1080,1081,1082,
&end
#
# 67 LEU HB3 67 LEU QD1 3.36
&rst
ixpk= 0, nxpk= 0, iat=1009, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr2=1013,1014,1015,
&end
#
# 64 CYSS HB2 67 LEU QD2 3.61
&rst
ixpk= 0, nxpk= 0, iat= 967, -1, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84,
igr2=1017,1018,1019,
&end
#
# 67 LEU HB3 67 LEU QD2 3.36
&rst
ixpk= 0, nxpk= 0, iat=1009, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr2=1017,1018,1019,
&end
#
# 67 LEU HN 67 LEU HG 4.81
&rst
ixpk= 0, nxpk= 0, iat=1004,1011, r1= 1.30, r2= 1.80, r3= 4.81, r4= 5.31, &end
#
# 67 LEU HN 67 LEU HB3 3.53
&rst
ixpk= 0, nxpk= 0, iat=1004,1009, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03, &end
#
# 67 LEU HB2 68 TYR HN 5.50
&rst
ixpk= 0, nxpk= 0, iat=1008,1023, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 67 LEU HB3 68 TYR HN 4.13
&rst
ixpk= 0, nxpk= 0, iat=1009,1023, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63, &end
#
# 64 CYSS HA 67 LEU QD1 5.50
&rst
ixpk= 0, nxpk= 0, iat= 965, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1013,1014,1015,
&end
#
# 58 TYR HA 58 TYR QE 5.29
&rst
ixpk= 0, nxpk= 0, iat= 870, -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr2= 878, 885,
&end
#
# 58 TYR HB2 63 TRP HE3 5.50
&rst
ixpk= 0, nxpk= 0, iat= 872, 958, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 58 TYR HB3 63 TRP HE3 5.50
&rst
ixpk= 0, nxpk= 0, iat= 873, 958, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 40 TYR HA 40 TYR QE 5.16
&rst
ixpk= 0, nxpk= 0, iat= 598, -1, r1= 1.30, r2= 1.80, r3= 5.79, r4= 6.29,
igr2= 606, 613,
&end
#
# 22 VAL HN 74 TRP HD1 5.50
&rst
ixpk= 0, nxpk= 0, iat= 332,1126, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 22 VAL QG1 74 TRP HD1 4.22
&rst
ixpk= 0, nxpk= 0, iat= -1,1126, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,
igr1= 338, 339, 340,
&end
#
# 17 LYS HN 17 LYS HB2 3.25
&rst
ixpk= 0, nxpk= 0, iat= 248, 252, r1= 1.30, r2= 1.80, r3= 3.25, r4= 3.75, &end
#
# 17 LYS HN 17 LYS QG 4.16
&rst
ixpk= 0, nxpk= 0, iat= 248, -1, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,
igr2= 255, 256,
&end
#
# 17 LYS HN 17 LYS QD 4.92
&rst
ixpk= 0, nxpk= 0, iat= 248, -1, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02,
igr2= 258, 259,
&end
#
# 17 LYS HB3 17 LYS QD 3.43
&rst
ixpk= 0, nxpk= 0, iat= 253, -1, r1= 1.30, r2= 1.80, r3= 3.85, r4= 4.35,
igr2= 258, 259,
&end
#
# 17 LYS HB2 17 LYS QD 3.43
&rst
ixpk= 0, nxpk= 0, iat= 252, -1, r1= 1.30, r2= 1.80, r3= 3.85, r4= 4.35,
igr2= 258, 259,
&end
#
# 17 LYS HA 17 LYS QD 4.14
&rst
ixpk= 0, nxpk= 0, iat= 250, -1, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,
igr2= 258, 259,
&end
#
# 16 ARG HN 16 ARG HB2 3.85
&rst
ixpk= 0, nxpk= 0, iat= 224, 228, r1= 1.30, r2= 1.80, r3= 3.85, r4= 4.35, &end
#
# 16 ARG HN 16 ARG HB3 3.85
&rst
ixpk= 0, nxpk= 0, iat= 224, 229, r1= 1.30, r2= 1.80, r3= 3.85, r4= 4.35, &end
#
# 33 LEU QB 34 LYS HN 3.98
&rst
ixpk= 0, nxpk= 0, iat= -1, 510, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97,
igr1= 495, 496,
&end
#
# 16 ARG HN 17 LYS HN 2.91
&rst
ixpk= 0, nxpk= 0, iat= 224, 248, r1= 1.30, r2= 1.80, r3= 2.91, r4= 3.41, &end
#
# 16 ARG HA 16 ARG QG 3.43
&rst
ixpk= 0, nxpk= 0, iat= 226, -1, r1= 1.30, r2= 1.80, r3= 3.85, r4= 4.35,
igr2= 231, 232,
&end
#
# 16 ARG HA 17 LYS HN 3.01
&rst
ixpk= 0, nxpk= 0, iat= 226, 248, r1= 1.30, r2= 1.80, r3= 3.01, r4= 3.51, &end
#
# 14 GLU HA 15 GLY HN 2.71
&rst
ixpk= 0, nxpk= 0, iat= 204, 217, r1= 1.30, r2= 1.80, r3= 2.71, r4= 3.21, &end
#
# 14 GLU QG 15 GLY HN 5.33
&rst
ixpk= 0, nxpk= 0, iat= -1, 217, r1= 1.30, r2= 1.80, r3= 5.98, r4= 6.48,
igr1= 209, 210,
&end
#
# 31 GLU HN 31 GLU HG2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 466, 473, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 14 GLU HN 14 GLU QG 4.15
&rst
ixpk= 0, nxpk= 0, iat= 202, -1, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,
igr2= 209, 210,
&end
#
# 14 GLU HN 14 GLU HB3 3.71
&rst
ixpk= 0, nxpk= 0, iat= 202, 207, r1= 1.30, r2= 1.80, r3= 3.71, r4= 4.21, &end
#
# 14 GLU HN 14 GLU HB2 3.71
&rst
ixpk= 0, nxpk= 0, iat= 202, 206, r1= 1.30, r2= 1.80, r3= 3.71, r4= 4.21, &end
#
# 14 GLU HA 14 GLU QG 3.98
&rst
ixpk= 0, nxpk= 0, iat= 204, -1, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97,
igr2= 209, 210,
&end
#
# 13 ILE HA 14 GLU HN 2.75
&rst
ixpk= 0, nxpk= 0, iat= 185, 202, r1= 1.30, r2= 1.80, r3= 2.75, r4= 3.25, &end
#
# 13 ILE HN 13 ILE HB 2.96
&rst
ixpk= 0, nxpk= 0, iat= 183, 187, r1= 1.30, r2= 1.80, r3= 2.96, r4= 3.46, &end
#
# 13 ILE HN 13 ILE HG13 3.83
&rst
ixpk= 0, nxpk= 0, iat= 183, 194, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33, &end
#
# 13 ILE HN 13 ILE QG2 5.27
&rst
ixpk= 0, nxpk= 0, iat= 183, -1, r1= 1.30, r2= 1.80, r3= 6.33, r4= 6.83,
igr2= 189, 190, 191,
&end
#
# 13 ILE HB 14 GLU HN 4.44
&rst
ixpk= 0, nxpk= 0, iat= 187, 202, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94, &end
#
# 13 ILE HN 13 ILE HG12 3.83
&rst
ixpk= 0, nxpk= 0, iat= 183, 193, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33, &end
#
# 13 ILE HA 13 ILE QG2 3.50
&rst
ixpk= 0, nxpk= 0, iat= 185, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2= 189, 190, 191,
&end
#
# 12 SER HN 12 SER HB3 3.72
&rst
ixpk= 0, nxpk= 0, iat= 172, 177, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22, &end
#
# 12 SER HN 12 SER HB2 3.72
&rst
ixpk= 0, nxpk= 0, iat= 172, 176, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22, &end
#
# 17 LYS HN 18 GLU HN 4.94
&rst
ixpk= 0, nxpk= 0, iat= 248, 270, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44, &end
#
# 17 LYS HB3 18 GLU HN 4.25
&rst
ixpk= 0, nxpk= 0, iat= 253, 270, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75, &end
#
# 17 LYS HB2 18 GLU HN 4.25
&rst
ixpk= 0, nxpk= 0, iat= 252, 270, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75, &end
#
# 17 LYS HA 18 GLU HN 2.69
&rst
ixpk= 0, nxpk= 0, iat= 250, 270, r1= 1.30, r2= 1.80, r3= 2.69, r4= 3.19, &end
#
# 17 LYS QD 18 GLU HN 3.80
&rst
ixpk= 0, nxpk= 0, iat= -1, 270, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,
igr1= 258, 259,
&end
#
# 17 LYS QG 18 GLU HN 3.54
&rst
ixpk= 0, nxpk= 0, iat= -1, 270, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47,
igr1= 255, 256,
&end
#
# 45 CYSS HA 67 LEU QD1 5.50
&rst
ixpk= 0, nxpk= 0, iat= 687, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1013,1014,1015,
&end
#
# 22 VAL HN 74 TRP HN 5.48
&rst
ixpk= 0, nxpk= 0, iat= 332,1118, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98, &end
#
# 79 LYS HN 80 THR HN 5.50
&rst
ixpk= 0, nxpk= 0, iat=1203,1225, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 74 TRP HE1 81 CYSS HB3 5.47
&rst
ixpk= 0, nxpk= 0, iat=1128,1244, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97, &end
#
# 28 CYSS HA 74 TRP HE1 4.64
&rst
ixpk= 0, nxpk= 0, iat= 415,1128, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14, &end
#
# 74 TRP HE1 81 CYSS HN 5.50
&rst
ixpk= 0, nxpk= 0, iat=1128,1239, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 19 GLY HN 63 TRP HD1 5.50
&rst
ixpk= 0, nxpk= 0, iat= 285, 947, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 11 GLY QA 12 SER HN 2.88
&rst
ixpk= 0, nxpk= 0, iat= -1, 172, r1= 1.30, r2= 1.80, r3= 3.23, r4= 3.73,
igr1= 167, 168,
&end
#
# 11 GLY QA 12 SER HA 4.43
&rst
ixpk= 0, nxpk= 0, iat= -1, 174, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47,
igr1= 167, 168,
&end
#
# 12 SER HN 12 SER QB 3.08
&rst
ixpk= 0, nxpk= 0, iat= 172, -1, r1= 1.30, r2= 1.80, r3= 3.46, r4= 3.96,
igr2= 176, 177,
&end
#
# 13 ILE HN 13 ILE QG1 3.00
&rst
ixpk= 0, nxpk= 0, iat= 183, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2= 193, 194,
&end
#
# 13 ILE HA 13 ILE QG1 3.72
&rst
ixpk= 0, nxpk= 0, iat= 185, -1, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68,
igr2= 193, 194,
&end
#
# 13 ILE QG1 14 GLU HN 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 202, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 193, 194,
&end
#
# 14 GLU HN 14 GLU QB 2.98
&rst
ixpk= 0, nxpk= 0, iat= 202, -1, r1= 1.30, r2= 1.80, r3= 3.34, r4= 3.84,
igr2= 206, 207,
&end
#
# 14 GLU QB 14 GLU QG 2.43
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.06, r4= 3.56,
igr1= 206, 207,
igr2= 209, 210,
&end
#
# 14 GLU QB 15 GLY HN 3.85
&rst
ixpk= 0, nxpk= 0, iat= -1, 217, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82,
igr1= 206, 207,
&end
#
# 15 GLY QA 16 ARG HN 2.99
&rst
ixpk= 0, nxpk= 0, iat= -1, 224, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr1= 219, 220,
&end
#
# 16 ARG HN 16 ARG QB 3.19
&rst
ixpk= 0, nxpk= 0, iat= 224, -1, r1= 1.30, r2= 1.80, r3= 3.58, r4= 4.08,
igr2= 228, 229,
&end
#
# 17 LYS HN 17 LYS QB 2.81
&rst
ixpk= 0, nxpk= 0, iat= 248, -1, r1= 1.30, r2= 1.80, r3= 3.15, r4= 3.65,
igr2= 252, 253,
&end
#
# 17 LYS QB 17 LYS QD 2.63
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.31, r4= 3.81,
igr1= 252, 253,
igr2= 258, 259,
&end
#
# 17 LYS QB 18 GLU HN 3.42
&rst
ixpk= 0, nxpk= 0, iat= -1, 270, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34,
igr1= 252, 253,
&end
#
# 18 GLU HN 18 GLU QB 3.64
&rst
ixpk= 0, nxpk= 0, iat= 270, -1, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59,
igr2= 274, 275,
&end
#
# 18 GLU HN 18 GLU QG 3.77
&rst
ixpk= 0, nxpk= 0, iat= 270, -1, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73,
igr2= 277, 278,
&end
#
# 18 GLU HA 18 GLU QG 3.53
&rst
ixpk= 0, nxpk= 0, iat= 272, -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
igr2= 277, 278,
&end
#
# 18 GLU HA 67 LEU QQD 3.71
&rst
ixpk= 0, nxpk= 0, iat= 272,1010, r1= 1.30, r2= 1.80, r3= 3.71, r4= 4.21, &end
#
# 18 GLU QB 18 GLU QG 2.31
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 2.91, r4= 3.41,
igr1= 274, 275,
igr2= 277, 278,
&end
#
# 18 GLU QB 63 TRP HD1 4.15
&rst
ixpk= 0, nxpk= 0, iat= -1, 947, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,
igr1= 274, 275,
&end
#
# 18 GLU QB 63 TRP HE1 3.09
&rst
ixpk= 0, nxpk= 0, iat= -1, 949, r1= 1.30, r2= 1.80, r3= 3.47, r4= 3.97,
igr1= 274, 275,
&end
#
# 18 GLU QB 63 TRP HZ2 2.98
&rst
ixpk= 0, nxpk= 0, iat= -1, 952, r1= 1.30, r2= 1.80, r3= 3.34, r4= 3.84,
igr1= 274, 275,
&end
#
# 18 GLU QB 63 TRP HH2 5.04
&rst
ixpk= 0, nxpk= 0, iat= -1, 954, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
igr1= 274, 275,
&end
#
# 18 GLU QB 65 THR QG2 3.79
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61,
igr1= 274, 275,
igr2= 979, 980, 981,
&end
#
# 18 GLU QG 19 GLY HN 4.40
&rst
ixpk= 0, nxpk= 0, iat= -1, 285, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
igr1= 277, 278,
&end
#
# 18 GLU QG 63 TRP HD1 5.34
&rst
ixpk= 0, nxpk= 0, iat= -1, 947, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr1= 277, 278,
&end
#
# 18 GLU QG 63 TRP HE1 4.62
&rst
ixpk= 0, nxpk= 0, iat= -1, 949, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,
igr1= 277, 278,
&end
#
# 18 GLU QG 63 TRP HZ2 4.38
&rst
ixpk= 0, nxpk= 0, iat= -1, 952, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,
igr1= 277, 278,
&end
#
# 18 GLU QG 65 THR HN 5.34
&rst
ixpk= 0, nxpk= 0, iat= -1, 973, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr1= 277, 278,
&end
#
# 18 GLU QG 65 THR HA 3.18
&rst
ixpk= 0, nxpk= 0, iat= -1, 975, r1= 1.30, r2= 1.80, r3= 3.57, r4= 4.07,
igr1= 277, 278,
&end
#
# 18 GLU QG 65 THR QG2 3.85
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,
igr1= 277, 278,
igr2= 979, 980, 981,
&end
#
# 18 GLU QG 66 HIS HN 4.17
&rst
ixpk= 0, nxpk= 0, iat= -1, 987, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,
igr1= 277, 278,
&end
#
# 18 GLU QG 67 LEU HB2 5.34
&rst
ixpk= 0, nxpk= 0, iat= -1,1008, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr1= 277, 278,
&end
#
# 19 GLY HN 64 CYSS QB 4.97
&rst
ixpk= 0, nxpk= 0, iat= 285, -1, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08,
igr2= 967, 968,
&end
#
# 19 GLY HN 67 LEU QQD 3.66
&rst
ixpk= 0, nxpk= 0, iat= 285,1010, r1= 1.30, r2= 1.80, r3= 3.66, r4= 4.16, &end
#
# 19 GLY HA3 67 LEU QQD 5.44
&rst
ixpk= 0, nxpk= 0, iat= 288,1010, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94, &end
#
# 20 TYR QD 22 VAL QQG 5.36
&rst
ixpk= 0, nxpk= 0, iat= -1, 335, r1= 1.30, r2= 1.80, r3= 6.02, r4= 6.52,
igr1= 300, 309,
&end
#
# 20 TYR QD 74 TRP QB 5.34
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 300, 309,
igr2=1122,1123,
&end
#
# 20 TYR QE 29 LYS QB 3.75
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 302, 309,
igr2= 427, 428,
&end
#
# 21 LEU QB 21 LEU QD1 3.01
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56,
igr1= 317, 318,
igr2= 322, 323, 324,
&end
#
# 21 LEU QB 21 LEU QD2 2.78
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25,
igr1= 317, 318,
igr2= 326, 327, 328,
&end
#
# 21 LEU QB 45 CYSS HA 4.53
&rst
ixpk= 0, nxpk= 0, iat= -1, 687, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,
igr1= 317, 318,
&end
#
# 21 LEU QB 62 CYSS QB 5.18
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.53, r4= 7.03,
igr1= 317, 318,
igr2= 933, 934,
&end
#
# 21 LEU QD1 44 GLU QB 3.73
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,
igr1= 322, 323, 324,
igr2= 674, 675,
&end
#
# 21 LEU QD1 45 CYSS QB 5.34
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.20, r4= 7.70,
igr1= 322, 323, 324,
igr2= 689, 690,
&end
#
# 21 LEU QD1 62 CYSS QB 5.34
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.20, r4= 7.70,
igr1= 322, 323, 324,
igr2= 933, 934,
&end
#
# 21 LEU QD2 45 CYSS QB 5.34
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.20, r4= 7.70,
igr1= 326, 327, 328,
igr2= 689, 690,
&end
#
# 21 LEU QD2 62 CYSS QB 3.92
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
igr1= 326, 327, 328,
igr2= 933, 934,
&end
#
# 22 VAL HN 22 VAL QQG 3.18
&rst
ixpk= 0, nxpk= 0, iat= 332, 335, r1= 1.30, r2= 1.80, r3= 3.18, r4= 3.68, &end
#
# 22 VAL HA 22 VAL QQG 2.85
&rst
ixpk= 0, nxpk= 0, iat= 334, 335, r1= 1.30, r2= 1.80, r3= 2.85, r4= 3.35, &end
#
# 22 VAL HA 23 SER QB 4.41
&rst
ixpk= 0, nxpk= 0, iat= 334, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr2= 352, 353,
&end
#
# 22 VAL HB 74 TRP QB 3.27
&rst
ixpk= 0, nxpk= 0, iat= 336, -1, r1= 1.30, r2= 1.80, r3= 3.67, r4= 4.17,
igr2=1122,1123,
&end
#
# 22 VAL QQG 23 SER HN 3.17
&rst
ixpk= 0, nxpk= 0, iat= 335, 348, r1= 1.30, r2= 1.80, r3= 3.17, r4= 3.67, &end
#
# 22 VAL QQG 23 SER QB 5.28
&rst
ixpk= 0, nxpk= 0, iat= 335, -1, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43,
igr2= 352, 353,
&end
#
# 22 VAL QQG 27 GLY HN 3.94
&rst
ixpk= 0, nxpk= 0, iat= 335, 406, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44, &end
#
# 22 VAL QQG 27 GLY QA 2.89
&rst
ixpk= 0, nxpk= 0, iat= 335, -1, r1= 1.30, r2= 1.80, r3= 3.24, r4= 3.74,
igr2= 408, 409,
&end
#
# 22 VAL QQG 28 CYSS HN 5.05
&rst
ixpk= 0, nxpk= 0, iat= 335, 413, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, &end
#
# 22 VAL QQG 73 VAL HN 5.44
&rst
ixpk= 0, nxpk= 0, iat= 335,1102, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94, &end
#
# 22 VAL QQG 73 VAL HA 3.26
&rst
ixpk= 0, nxpk= 0, iat= 335,1104, r1= 1.30, r2= 1.80, r3= 3.26, r4= 3.76, &end
#
# 22 VAL QQG 73 VAL HB 5.00
&rst
ixpk= 0, nxpk= 0, iat= 335,1106, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 22 VAL QQG 74 TRP HN 4.28
&rst
ixpk= 0, nxpk= 0, iat= 335,1118, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78, &end
#
# 22 VAL QQG 74 TRP QB 3.38
&rst
ixpk= 0, nxpk= 0, iat= 335, -1, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29,
igr2=1122,1123,
&end
#
# 22 VAL QQG 74 TRP HD1 2.81
&rst
ixpk= 0, nxpk= 0, iat= 335,1126, r1= 1.30, r2= 1.80, r3= 2.81, r4= 3.31, &end
#
# 22 VAL QQG 74 TRP HE3 5.44
&rst
ixpk= 0, nxpk= 0, iat= 335,1137, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94, &end
#
# 22 VAL QQG 74 TRP HE1 4.95
&rst
ixpk= 0, nxpk= 0, iat= 335,1128, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45, &end
#
# 22 VAL QQG 74 TRP HZ2 5.44
&rst
ixpk= 0, nxpk= 0, iat= 335,1131, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94, &end
#
# 23 SER HN 23 SER QB 2.85
&rst
ixpk= 0, nxpk= 0, iat= 348, -1, r1= 1.30, r2= 1.80, r3= 3.20, r4= 3.70,
igr2= 352, 353,
&end
#
# 23 SER QB 24 LYS QB 5.16
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,
igr1= 352, 353,
igr2= 363, 364,
&end
#
# 23 SER QB 26 THR HN 4.99
&rst
ixpk= 0, nxpk= 0, iat= -1, 392, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,
igr1= 352, 353,
&end
#
# 23 SER QB 27 GLY HN 4.22
&rst
ixpk= 0, nxpk= 0, iat= -1, 406, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,
igr1= 352, 353,
&end
#
# 23 SER QB 28 CYSS HN 5.29
&rst
ixpk= 0, nxpk= 0, iat= -1, 413, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr1= 352, 353,
&end
#
# 24 LYS HN 24 LYS QB 2.95
&rst
ixpk= 0, nxpk= 0, iat= 359, -1, r1= 1.30, r2= 1.80, r3= 3.31, r4= 3.81,
igr2= 363, 364,
&end
#
# 24 LYS HN 24 LYS QG 3.98
&rst
ixpk= 0, nxpk= 0, iat= 359, -1, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97,
igr2= 366, 367,
&end
#
# 24 LYS HA 24 LYS QG 2.96
&rst
ixpk= 0, nxpk= 0, iat= 361, -1, r1= 1.30, r2= 1.80, r3= 3.32, r4= 3.82,
igr2= 366, 367,
&end
#
# 24 LYS QB 25 SER HN 3.57
&rst
ixpk= 0, nxpk= 0, iat= -1, 381, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51,
igr1= 363, 364,
&end
#
# 26 THR HN 27 GLY QA 5.34
&rst
ixpk= 0, nxpk= 0, iat= 392, -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr2= 408, 409,
&end
#
# 26 THR QG2 28 CYSS QB 5.34
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.20, r4= 7.70,
igr1= 398, 399, 400,
igr2= 417, 418,
&end
#
# 27 GLY HN 28 CYSS QB 4.11
&rst
ixpk= 0, nxpk= 0, iat= 406, -1, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,
igr2= 417, 418,
&end
#
# 27 GLY QA 28 CYSS QB 4.92
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70,
igr1= 408, 409,
igr2= 417, 418,
&end
#
# 28 CYSS HN 28 CYSS QB 3.27
&rst
ixpk= 0, nxpk= 0, iat= 413, -1, r1= 1.30, r2= 1.80, r3= 3.67, r4= 4.17,
igr2= 417, 418,
&end
#
# 28 CYSS HA 81 CYSS QB 4.31
&rst
ixpk= 0, nxpk= 0, iat= 415, -1, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,
igr2=1243,1244,
&end
#
# 28 CYSS QB 29 LYS HN 4.32
&rst
ixpk= 0, nxpk= 0, iat= -1, 423, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
igr1= 417, 418,
&end
#
# 29 LYS QB 29 LYS QE 4.53
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.71, r4= 6.21,
igr1= 427, 428,
igr2= 436, 437,
&end
#
# 29 LYS QB 62 CYSS QB 5.18
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.53, r4= 7.03,
igr1= 427, 428,
igr2= 933, 934,
&end
#
# 29 LYS QB 81 CYSS QB 4.76
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1= 427, 428,
igr2=1243,1244,
&end
#
# 31 GLU QB 32 CYSS HN 3.26
&rst
ixpk= 0, nxpk= 0, iat= -1, 481, r1= 1.30, r2= 1.80, r3= 3.66, r4= 4.16,
igr1= 470, 471,
&end
#
# 31 GLU QB 32 CYSS HA 5.03
&rst
ixpk= 0, nxpk= 0, iat= -1, 483, r1= 1.30, r2= 1.80, r3= 5.65, r4= 6.15,
igr1= 470, 471,
&end
#
# 31 GLU QB 32 CYSS QB 5.18
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.53, r4= 7.03,
igr1= 470, 471,
igr2= 485, 486,
&end
#
# 31 GLU QB 61 ALA HA 5.04
&rst
ixpk= 0, nxpk= 0, iat= -1, 921, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
igr1= 470, 471,
&end
#
# 31 GLU QG 32 CYSS HN 4.09
&rst
ixpk= 0, nxpk= 0, iat= -1, 481, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09,
igr1= 473, 474,
&end
#
# 32 CYSS HA 32 CYSS QB 2.64
&rst
ixpk= 0, nxpk= 0, iat= 483, -1, r1= 1.30, r2= 1.80, r3= 2.96, r4= 3.46,
igr2= 485, 486,
&end
#
# 32 CYSS QB 34 LYS HN 4.75
&rst
ixpk= 0, nxpk= 0, iat= -1, 510, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83,
igr1= 485, 486,
&end
#
# 32 CYSS QB 40 TYR QD 5.01
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.31, r4= 6.81,
igr1= 485, 486,
igr2= 604, 613,
&end
#
# 33 LEU HN 33 LEU QQD 3.62
&rst
ixpk= 0, nxpk= 0, iat= 491, 497, r1= 1.30, r2= 1.80, r3= 3.62, r4= 4.12, &end
#
# 33 LEU QB 33 LEU QQD 2.65
&rst
ixpk= 0, nxpk= 0, iat= -1, 497, r1= 1.30, r2= 1.80, r3= 2.97, r4= 3.47,
igr1= 495, 496,
&end
#
# 33 LEU QQD 34 LYS QB 5.28
&rst
ixpk= 0, nxpk= 0, iat= 497, -1, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43,
igr2= 514, 515,
&end
#
# 34 LYS HN 34 LYS QB 3.52
&rst
ixpk= 0, nxpk= 0, iat= 510, -1, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45,
igr2= 514, 515,
&end
#
# 34 LYS QB 35 LEU HN 4.17
&rst
ixpk= 0, nxpk= 0, iat= -1, 532, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,
igr1= 514, 515,
&end
#
# 35 LEU HN 35 LEU QB 2.68
&rst
ixpk= 0, nxpk= 0, iat= 532, -1, r1= 1.30, r2= 1.80, r3= 3.01, r4= 3.51,
igr2= 536, 537,
&end
#
# 35 LEU HN 35 LEU QQD 4.17
&rst
ixpk= 0, nxpk= 0, iat= 532, 538, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67, &end
#
# 35 LEU HA 35 LEU QQD 3.53
&rst
ixpk= 0, nxpk= 0, iat= 534, 538, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03, &end
#
# 35 LEU QB 35 LEU QQD 2.45
&rst
ixpk= 0, nxpk= 0, iat= -1, 538, r1= 1.30, r2= 1.80, r3= 2.75, r4= 3.25,
igr1= 536, 537,
&end
#
# 35 LEU QQD 36 GLY HN 4.65
&rst
ixpk= 0, nxpk= 0, iat= 538, 551, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15, &end
#
# 35 LEU QQD 36 GLY QA 4.76
&rst
ixpk= 0, nxpk= 0, iat= 538, -1, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
igr2= 553, 554,
&end
#
# 35 LEU QQD 58 TYR HA 3.92
&rst
ixpk= 0, nxpk= 0, iat= 538, 870, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42, &end
#
# 35 LEU QQD 58 TYR QB 5.28
&rst
ixpk= 0, nxpk= 0, iat= 538, -1, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43,
igr2= 872, 873,
&end
#
# 35 LEU QQD 59 ALA HN 3.62
&rst
ixpk= 0, nxpk= 0, iat= 538, 889, r1= 1.30, r2= 1.80, r3= 3.62, r4= 4.12, &end
#
# 35 LEU QQD 59 ALA HA 3.64
&rst
ixpk= 0, nxpk= 0, iat= 538, 891, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14, &end
#
# 35 LEU QQD 59 ALA QB 4.39
&rst
ixpk= 0, nxpk= 0, iat= 538, -1, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77,
igr2= 893, 894, 895,
&end
#
# 36 GLY HN 57 CYSS QB 3.80
&rst
ixpk= 0, nxpk= 0, iat= 551, -1, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,
igr2= 862, 863,
&end
#
# 36 GLY QA 37 ASP HN 3.03
&rst
ixpk= 0, nxpk= 0, iat= -1, 558, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90,
igr1= 553, 554,
&end
#
# 36 GLY QA 57 CYSS QB 4.65
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36,
igr1= 553, 554,
igr2= 862, 863,
&end
#
# 37 ASP HN 37 ASP QB 3.23
&rst
ixpk= 0, nxpk= 0, iat= 558, -1, r1= 1.30, r2= 1.80, r3= 3.63, r4= 4.13,
igr2= 562, 563,
&end
#
# 37 ASP QB 38 ASN HN 4.31
&rst
ixpk= 0, nxpk= 0, iat= -1, 570, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,
igr1= 562, 563,
&end
#
# 38 ASN HN 38 ASN QB 3.34
&rst
ixpk= 0, nxpk= 0, iat= 570, -1, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25,
igr2= 574, 575,
&end
#
# 39 ASP HA 42 LEU QB 3.83
&rst
ixpk= 0, nxpk= 0, iat= 586, -1, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,
igr2= 631, 632,
&end
#
# 39 ASP HA 42 LEU QQD 4.59
&rst
ixpk= 0, nxpk= 0, iat= 586, 633, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09, &end
#
# 39 ASP QB 42 LEU QB 3.97
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
igr1= 588, 589,
igr2= 631, 632,
&end
#
# 39 ASP QB 42 LEU QQD 4.46
&rst
ixpk= 0, nxpk= 0, iat= -1, 633, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51,
igr1= 588, 589,
&end
#
# 40 TYR HA 43 ARG QB 4.76
&rst
ixpk= 0, nxpk= 0, iat= 598, -1, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
igr2= 650, 651,
&end
#
# 40 TYR QB 41 CYSS HN 3.54
&rst
ixpk= 0, nxpk= 0, iat= -1, 617, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47,
igr1= 600, 601,
&end
#
# 40 TYR QD 43 ARG QB 5.34
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 604, 613,
igr2= 650, 651,
&end
#
# 41 CYSS HN 41 CYSS QB 3.52
&rst
ixpk= 0, nxpk= 0, iat= 617, -1, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45,
igr2= 621, 622,
&end
#
# 41 CYSS HA 44 GLU QB 4.16
&rst
ixpk= 0, nxpk= 0, iat= 619, -1, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,
igr2= 674, 675,
&end
#
# 41 CYSS QB 42 LEU HN 3.76
&rst
ixpk= 0, nxpk= 0, iat= -1, 627, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72,
igr1= 621, 622,
&end
#
# 41 CYSS QB 42 LEU QQD 5.06
&rst
ixpk= 0, nxpk= 0, iat= -1, 633, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18,
igr1= 621, 622,
&end
#
# 41 CYSS QB 56 TYR HN 4.28
&rst
ixpk= 0, nxpk= 0, iat= -1, 837, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr1= 621, 622,
&end
#
# 41 CYSS QB 56 TYR HA 3.99
&rst
ixpk= 0, nxpk= 0, iat= -1, 839, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98,
igr1= 621, 622,
&end
#
# 41 CYSS QB 56 TYR QD 5.09
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.41, r4= 6.91,
igr1= 621, 622,
igr2= 845, 854,
&end
#
# 41 CYSS QB 63 TRP HN 5.34
&rst
ixpk= 0, nxpk= 0, iat= -1, 939, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr1= 621, 622,
&end
#
# 42 LEU HN 42 LEU QB 2.49
&rst
ixpk= 0, nxpk= 0, iat= 627, -1, r1= 1.30, r2= 1.80, r3= 2.79, r4= 3.29,
igr2= 631, 632,
&end
#
# 42 LEU HN 42 LEU QQD 4.12
&rst
ixpk= 0, nxpk= 0, iat= 627, 633, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62, &end
#
# 42 LEU HN 45 CYSS QB 5.34
&rst
ixpk= 0, nxpk= 0, iat= 627, -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr2= 689, 690,
&end
#
# 42 LEU HA 42 LEU QQD 2.94
&rst
ixpk= 0, nxpk= 0, iat= 629, 633, r1= 1.30, r2= 1.80, r3= 2.94, r4= 3.44, &end
#
# 42 LEU HA 45 CYSS QB 4.10
&rst
ixpk= 0, nxpk= 0, iat= 629, -1, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
igr2= 689, 690,
&end
#
# 42 LEU QB 42 LEU QQD 2.42
&rst
ixpk= 0, nxpk= 0, iat= -1, 633, r1= 1.30, r2= 1.80, r3= 2.72, r4= 3.22,
igr1= 631, 632,
&end
#
# 42 LEU QB 43 ARG HN 3.92
&rst
ixpk= 0, nxpk= 0, iat= -1, 646, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,
igr1= 631, 632,
&end
#
# 42 LEU QQD 43 ARG HN 4.78
&rst
ixpk= 0, nxpk= 0, iat= 633, 646, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28, &end
#
# 42 LEU QQD 43 ARG HA 5.44
&rst
ixpk= 0, nxpk= 0, iat= 633, 648, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94, &end
#
# 42 LEU QQD 54 GLY HN 5.44
&rst
ixpk= 0, nxpk= 0, iat= 633, 823, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94, &end
#
# 42 LEU QQD 54 GLY QA 3.40
&rst
ixpk= 0, nxpk= 0, iat= 633, -1, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32,
igr2= 825, 826,
&end
#
# 42 LEU QQD 55 GLY HN 3.48
&rst
ixpk= 0, nxpk= 0, iat= 633, 830, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98, &end
#
# 42 LEU QQD 56 TYR QD 3.88
&rst
ixpk= 0, nxpk= 0, iat= 633, -1, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86,
igr2= 845, 854,
&end
#
# 42 LEU QQD 56 TYR QE 3.88
&rst
ixpk= 0, nxpk= 0, iat= 633, -1, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86,
igr2= 847, 854,
&end
#
# 43 ARG HN 43 ARG QB 3.38
&rst
ixpk= 0, nxpk= 0, iat= 646, -1, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29,
igr2= 650, 651,
&end
#
# 43 ARG HN 45 CYSS QB 5.34
&rst
ixpk= 0, nxpk= 0, iat= 646, -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr2= 689, 690,
&end
#
# 43 ARG HA 43 ARG QB 2.47
&rst
ixpk= 0, nxpk= 0, iat= 648, -1, r1= 1.30, r2= 1.80, r3= 2.77, r4= 3.27,
igr2= 650, 651,
&end
#
# 43 ARG QB 43 ARG QD 3.47
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87,
igr1= 650, 651,
igr2= 656, 657,
&end
#
# 43 ARG QB 44 GLU HN 3.69
&rst
ixpk= 0, nxpk= 0, iat= -1, 670, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64,
igr1= 650, 651,
&end
#
# 44 GLU HN 44 GLU QB 3.13
&rst
ixpk= 0, nxpk= 0, iat= 670, -1, r1= 1.30, r2= 1.80, r3= 3.51, r4= 4.01,
igr2= 674, 675,
&end
#
# 44 GLU QB 45 CYSS HN 3.44
&rst
ixpk= 0, nxpk= 0, iat= -1, 685, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36,
igr1= 674, 675,
&end
#
# 45 CYSS HN 45 CYSS QB 2.85
&rst
ixpk= 0, nxpk= 0, iat= 685, -1, r1= 1.30, r2= 1.80, r3= 3.20, r4= 3.70,
igr2= 689, 690,
&end
#
# 45 CYSS QB 46 LYS HN 3.96
&rst
ixpk= 0, nxpk= 0, iat= -1, 695, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
igr1= 689, 690,
&end
#
# 45 CYSS QB 49 TYR QD 5.34
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 689, 690,
igr2= 759, 768,
&end
#
# 45 CYSS QB 64 CYSS HA 5.34
&rst
ixpk= 0, nxpk= 0, iat= -1, 965, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr1= 689, 690,
&end
#
# 45 CYSS QB 64 CYSS QB 5.03
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.34, r4= 6.84,
igr1= 689, 690,
igr2= 967, 968,
&end
#
# 45 CYSS QB 67 LEU QQD 5.28
&rst
ixpk= 0, nxpk= 0, iat= -1,1010, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43,
igr1= 689, 690,
&end
#
# 46 LYS HN 46 LYS QB 3.11
&rst
ixpk= 0, nxpk= 0, iat= 695, -1, r1= 1.30, r2= 1.80, r3= 3.49, r4= 3.99,
igr2= 699, 700,
&end
#
# 46 LYS QB 47 GLN HN 3.93
&rst
ixpk= 0, nxpk= 0, iat= -1, 717, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 699, 700,
&end
#
# 47 GLN HN 47 GLN QG 2.89
&rst
ixpk= 0, nxpk= 0, iat= 717, -1, r1= 1.30, r2= 1.80, r3= 3.24, r4= 3.74,
igr2= 724, 725,
&end
#
# 47 GLN HA 47 GLN QG 2.76
&rst
ixpk= 0, nxpk= 0, iat= 719, -1, r1= 1.30, r2= 1.80, r3= 3.10, r4= 3.60,
igr2= 724, 725,
&end
#
# 47 GLN QB 48 GLN HA 5.34
&rst
ixpk= 0, nxpk= 0, iat= -1, 736, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr1= 721, 722,
&end
#
# 47 GLN QG 48 GLN HN 4.56
&rst
ixpk= 0, nxpk= 0, iat= -1, 734, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
igr1= 724, 725,
&end
#
# 48 GLN HN 48 GLN QB 3.30
&rst
ixpk= 0, nxpk= 0, iat= 734, -1, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
igr2= 738, 739,
&end
#
# 48 GLN HN 48 GLN QG 3.49
&rst
ixpk= 0, nxpk= 0, iat= 734, -1, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42,
igr2= 741, 742,
&end
#
# 48 GLN HA 48 GLN QG 3.39
&rst
ixpk= 0, nxpk= 0, iat= 736, -1, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31,
igr2= 741, 742,
&end
#
# 48 GLN QB 48 GLN QG 2.27
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 2.86, r4= 3.36,
igr1= 738, 739,
igr2= 741, 742,
&end
#
# 48 GLN QB 49 TYR HN 4.34
&rst
ixpk= 0, nxpk= 0, iat= -1, 751, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37,
igr1= 738, 739,
&end
#
# 48 GLN QB 49 TYR QD 4.03
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,
igr1= 738, 739,
igr2= 759, 768,
&end
#
# 48 GLN QG 49 TYR QD 5.34
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 741, 742,
igr2= 759, 768,
&end
#
# 49 TYR HN 49 TYR QB 3.31
&rst
ixpk= 0, nxpk= 0, iat= 751, -1, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22,
igr2= 755, 756,
&end
#
# 49 TYR QB 67 LEU QQD 4.73
&rst
ixpk= 0, nxpk= 0, iat= -1,1010, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,
igr1= 755, 756,
&end
#
# 49 TYR QB 71 ALA QB 4.85
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.54, r4= 7.04,
igr1= 755, 756,
igr2=1080,1081,1082,
&end
#
# 50 GLY QA 51 LYS HN 2.83
&rst
ixpk= 0, nxpk= 0, iat= -1, 779, r1= 1.30, r2= 1.80, r3= 3.18, r4= 3.68,
igr1= 774, 775,
&end
#
# 51 LYS QG 52 SER QB 5.34
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 786, 787,
igr2= 805, 806,
&end
#
# 52 SER HN 52 SER QB 3.04
&rst
ixpk= 0, nxpk= 0, iat= 801, -1, r1= 1.30, r2= 1.80, r3= 3.41, r4= 3.91,
igr2= 805, 806,
&end
#
# 53 SER HN 53 SER QB 3.03
&rst
ixpk= 0, nxpk= 0, iat= 812, -1, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90,
igr2= 816, 817,
&end
#
# 53 SER QB 54 GLY HN 3.84
&rst
ixpk= 0, nxpk= 0, iat= -1, 823, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81,
igr1= 816, 817,
&end
#
# 53 SER QB 67 LEU QQD 4.11
&rst
ixpk= 0, nxpk= 0, iat= -1,1010, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,
igr1= 816, 817,
&end
#
# 54 GLY HN 67 LEU QQD 4.68
&rst
ixpk= 0, nxpk= 0, iat= 823,1010, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18, &end
#
# 54 GLY QA 55 GLY HN 3.13
&rst
ixpk= 0, nxpk= 0, iat= -1, 830, r1= 1.30, r2= 1.80, r3= 3.51, r4= 4.01,
igr1= 825, 826,
&end
#
# 54 GLY QA 56 TYR QD 5.34
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 825, 826,
igr2= 845, 854,
&end
#
# 55 GLY QA 56 TYR HN 2.80
&rst
ixpk= 0, nxpk= 0, iat= -1, 837, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 832, 833,
&end
#
# 55 GLY QA 56 TYR QD 4.14
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
igr1= 832, 833,
igr2= 845, 854,
&end
#
# 55 GLY QA 58 TYR QE 5.34
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 832, 833,
igr2= 878, 885,
&end
#
# 55 GLY QA 63 TRP HD1 5.34
&rst
ixpk= 0, nxpk= 0, iat= -1, 947, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr1= 832, 833,
&end
#
# 55 GLY QA 64 CYSS HA 3.71
&rst
ixpk= 0, nxpk= 0, iat= -1, 965, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66,
igr1= 832, 833,
&end
#
# 55 GLY QA 65 THR HN 4.11
&rst
ixpk= 0, nxpk= 0, iat= -1, 973, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,
igr1= 832, 833,
&end
#
# 55 GLY QA 65 THR QG2 4.02
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,
igr1= 832, 833,
igr2= 979, 980, 981,
&end
#
# 56 TYR HB3 57 CYSS QB 4.64
&rst
ixpk= 0, nxpk= 0, iat= 842, -1, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71,
igr2= 862, 863,
&end
#
# 57 CYSS HN 57 CYSS QB 3.28
&rst
ixpk= 0, nxpk= 0, iat= 858, -1, r1= 1.30, r2= 1.80, r3= 3.68, r4= 4.18,
igr2= 862, 863,
&end
#
# 58 TYR HN 58 TYR QB 3.34
&rst
ixpk= 0, nxpk= 0, iat= 868, -1, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25,
igr2= 872, 873,
&end
#
# 58 TYR QB 63 TRP HN 4.69
&rst
ixpk= 0, nxpk= 0, iat= -1, 939, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76,
igr1= 872, 873,
&end
#
# 61 ALA QB 62 CYSS QB 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1= 923, 924, 925,
igr2= 933, 934,
&end
#
# 64 CYSS HN 64 CYSS QB 3.65
&rst
ixpk= 0, nxpk= 0, iat= 963, -1, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,
igr2= 967, 968,
&end
#
# 64 CYSS QB 65 THR HN 3.63
&rst
ixpk= 0, nxpk= 0, iat= -1, 973, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57,
igr1= 967, 968,
&end
#
# 64 CYSS QB 67 LEU HB2 5.34
&rst
ixpk= 0, nxpk= 0, iat= -1,1008, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr1= 967, 968,
&end
#
# 64 CYSS QB 67 LEU QQD 2.46
&rst
ixpk= 0, nxpk= 0, iat= -1,1010, r1= 1.30, r2= 1.80, r3= 2.76, r4= 3.26,
igr1= 967, 968,
&end
#
# 64 CYSS QB 71 ALA QB 5.34
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.20, r4= 7.70,
igr1= 967, 968,
igr2=1080,1081,1082,
&end
#
# 65 THR HN 67 LEU QQD 4.86
&rst
ixpk= 0, nxpk= 0, iat= 973,1010, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36, &end
#
# 65 THR QG2 67 LEU QQD 5.35
&rst
ixpk= 0, nxpk= 0, iat= -1,1010, r1= 1.30, r2= 1.80, r3= 6.43, r4= 6.93,
igr1= 979, 980, 981,
&end
#
# 66 HIS HA 67 LEU QQD 5.44
&rst
ixpk= 0, nxpk= 0, iat= 989,1010, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94, &end
#
# 67 LEU HA 67 LEU QQD 2.73
&rst
ixpk= 0, nxpk= 0, iat=1006,1010, r1= 1.30, r2= 1.80, r3= 2.73, r4= 3.23, &end
#
# 67 LEU HB2 67 LEU QQD 2.81
&rst
ixpk= 0, nxpk= 0, iat=1008,1010, r1= 1.30, r2= 1.80, r3= 2.81, r4= 3.31, &end
#
# 67 LEU HB3 67 LEU QQD 2.75
&rst
ixpk= 0, nxpk= 0, iat=1009,1010, r1= 1.30, r2= 1.80, r3= 2.75, r4= 3.25, &end
#
# 67 LEU QQD 68 TYR HN 3.94
&rst
ixpk= 0, nxpk= 0, iat=1010,1023, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44, &end
#
# 67 LEU QQD 71 ALA HA 5.44
&rst
ixpk= 0, nxpk= 0, iat=1010,1078, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94, &end
#
# 67 LEU QQD 71 ALA QB 2.80
&rst
ixpk= 0, nxpk= 0, iat=1010, -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr2=1080,1081,1082,
&end
#
# 67 LEU QQD 73 VAL HB 5.44
&rst
ixpk= 0, nxpk= 0, iat=1010,1106, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94, &end
#
# 67 LEU QQD 73 VAL QG1 4.04
&rst
ixpk= 0, nxpk= 0, iat=1010, -1, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
igr2=1108,1109,1110,
&end
#
# 68 TYR HN 68 TYR QB 3.11
&rst
ixpk= 0, nxpk= 0, iat=1023, -1, r1= 1.30, r2= 1.80, r3= 3.49, r4= 3.99,
igr2=1027,1028,
&end
#
# 68 TYR QB 69 GLU HN 3.26
&rst
ixpk= 0, nxpk= 0, iat= -1,1044, r1= 1.30, r2= 1.80, r3= 3.66, r4= 4.16,
igr1=1027,1028,
&end
#
# 68 TYR QB 69 GLU QG 5.34
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1027,1028,
igr2=1051,1052,
&end
#
# 68 TYR QB 70 GLN HN 3.33
&rst
ixpk= 0, nxpk= 0, iat= -1,1059, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24,
igr1=1027,1028,
&end
#
# 68 TYR QB 70 GLN QG 3.67
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
igr1=1027,1028,
igr2=1066,1067,
&end
#
# 68 TYR QB 70 GLN QE2 5.18
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.53, r4= 7.03,
igr1=1027,1028,
igr2=1071,1072,
&end
#
# 68 TYR QB 71 ALA QB 3.81
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
igr1=1027,1028,
igr2=1080,1081,1082,
&end
#
# 69 GLU HN 69 GLU QB 2.98
&rst
ixpk= 0, nxpk= 0, iat=1044, -1, r1= 1.30, r2= 1.80, r3= 3.34, r4= 3.84,
igr2=1048,1049,
&end
#
# 70 GLN HN 70 GLN QE2 5.34
&rst
ixpk= 0, nxpk= 0, iat=1059, -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr2=1071,1072,
&end
#
# 70 GLN HB2 70 GLN QE2 4.54
&rst
ixpk= 0, nxpk= 0, iat=1063, -1, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
igr2=1071,1072,
&end
#
# 70 GLN QE2 71 ALA HA 4.21
&rst
ixpk= 0, nxpk= 0, iat= -1,1078, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,
igr1=1071,1072,
&end
#
# 70 GLN QE2 71 ALA QB 4.58
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1071,1072,
igr2=1080,1081,1082,
&end
#
# 71 ALA HA 72 VAL QQG 3.89
&rst
ixpk= 0, nxpk= 0, iat=1078,1089, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39, &end
#
# 72 VAL HN 72 VAL QQG 3.45
&rst
ixpk= 0, nxpk= 0, iat=1086,1089, r1= 1.30, r2= 1.80, r3= 3.45, r4= 3.95, &end
#
# 72 VAL HA 72 VAL QQG 2.71
&rst
ixpk= 0, nxpk= 0, iat=1088,1089, r1= 1.30, r2= 1.80, r3= 2.71, r4= 3.21, &end
#
# 72 VAL QQG 73 VAL HN 3.45
&rst
ixpk= 0, nxpk= 0, iat=1089,1102, r1= 1.30, r2= 1.80, r3= 3.45, r4= 3.95, &end
#
# 72 VAL QQG 73 VAL HA 4.13
&rst
ixpk= 0, nxpk= 0, iat=1089,1104, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63, &end
#
# 72 VAL QQG 73 VAL HB 5.44
&rst
ixpk= 0, nxpk= 0, iat=1089,1106, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94, &end
#
# 72 VAL QQG 73 VAL QG2 4.19
&rst
ixpk= 0, nxpk= 0, iat=1089, -1, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,
igr2=1112,1113,1114,
&end
#
# 72 VAL QQG 74 TRP HA 4.52
&rst
ixpk= 0, nxpk= 0, iat=1089,1120, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02, &end
#
# 72 VAL QQG 75 PRO QD 5.44
&rst
ixpk= 0, nxpk= 0, iat=1089, -1, r1= 1.30, r2= 1.80, r3= 6.11, r4= 6.61,
igr2=1143,1144,
&end
#
# 74 TRP HN 74 TRP QB 3.30
&rst
ixpk= 0, nxpk= 0, iat=1118, -1, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
igr2=1122,1123,
&end
#
# 74 TRP HA 76 LEU QQD 5.36
&rst
ixpk= 0, nxpk= 0, iat=1120,1162, r1= 1.30, r2= 1.80, r3= 5.36, r4= 5.86, &end
#
# 74 TRP QB 74 TRP HD1 3.22
&rst
ixpk= 0, nxpk= 0, iat= -1,1126, r1= 1.30, r2= 1.80, r3= 3.61, r4= 4.11,
igr1=1122,1123,
&end
#
# 74 TRP QB 76 LEU HG 5.34
&rst
ixpk= 0, nxpk= 0, iat= -1,1163, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr1=1122,1123,
&end
#
# 74 TRP HD1 76 LEU QQD 3.93
&rst
ixpk= 0, nxpk= 0, iat=1126,1162, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, &end
#
# 74 TRP HD1 81 CYSS QB 5.34
&rst
ixpk= 0, nxpk= 0, iat=1126, -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr2=1243,1244,
&end
#
# 74 TRP HE3 76 LEU QB 5.34
&rst
ixpk= 0, nxpk= 0, iat=1137, -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr2=1160,1161,
&end
#
# 74 TRP HE3 76 LEU QQD 5.44
&rst
ixpk= 0, nxpk= 0, iat=1137,1162, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94, &end
#
# 74 TRP HE1 76 LEU QQD 4.70
&rst
ixpk= 0, nxpk= 0, iat=1128,1162, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, &end
#
# 74 TRP HE1 81 CYSS QB 4.69
&rst
ixpk= 0, nxpk= 0, iat=1128, -1, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76,
igr2=1243,1244,
&end
#
# 74 TRP HZ2 76 LEU QQD 5.44
&rst
ixpk= 0, nxpk= 0, iat=1131,1162, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94, &end
#
# 77 PRO QB 78 ASN HN 3.84
&rst
ixpk= 0, nxpk= 0, iat= -1,1189, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81,
igr1=1182,1183,
&end
#
# 78 ASN HN 78 ASN QB 3.27
&rst
ixpk= 0, nxpk= 0, iat=1189, -1, r1= 1.30, r2= 1.80, r3= 3.67, r4= 4.17,
igr2=1193,1194,
&end
#
# 78 ASN QB 78 ASN QD2 2.98
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25,
igr1=1193,1194,
igr2=1198,1199,
&end
#
# 79 LYS HN 79 LYS QB 3.28
&rst
ixpk= 0, nxpk= 0, iat=1203, -1, r1= 1.30, r2= 1.80, r3= 3.68, r4= 4.18,
igr2=1207,1208,
&end
#
# 79 LYS QB 80 THR HN 4.24
&rst
ixpk= 0, nxpk= 0, iat= -1,1225, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr1=1207,1208,
&end
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