NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type | subtype | subsubtype |
|
|
474926 |
2kg1   |
16194 | cing | 1-original | 1 | AMBER | distance | NOE | simple |
#
# 61 THR HB 62 HIS QB 4.74
&rst
ixpk= 0, nxpk= 0, iat= 907, -1, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82,
rk2=20.0, rk3=20.0, ir6=1, ialtd=0,
igr2= 921, 922,
&end
#
# 25 THR HB 27 ASN HB3 5.16
&rst
ixpk= 0, nxpk= 0, iat= 361, 391, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66, &end
#
# 20 LEU QD1 25 THR HB 5.08
&rst
ixpk= 0, nxpk= 0, iat= -1, 361, r1= 1.30, r2= 1.80, r3= 6.10, r4= 6.60,
igr1= 280, 281, 282,
&end
#
# 11 THR HB 12 GLY HA2 4.47
&rst
ixpk= 0, nxpk= 0, iat= 145, 157, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97, &end
#
# 62 HIS QB 89 THR HB 4.24
&rst
ixpk= 0, nxpk= 0, iat= -1,1351, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr1= 921, 922,
&end
#
# 29 ILE HA 32 PHE HD 5.00
&rst
ixpk= 0, nxpk= 0, iat= 414, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2= 474, 482,
&end
#
# 29 ILE HA 30 TYR HA 5.02
&rst
ixpk= 0, nxpk= 0, iat= 414, 433, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52, &end
#
# 29 ILE HA 29 ILE QD1 3.92
&rst
ixpk= 0, nxpk= 0, iat= 414, -1, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
igr2= 425, 426, 427,
&end
#
# 34 SER HB2 36 LEU HN 4.53
&rst
ixpk= 0, nxpk= 0, iat= 510, 531, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03, &end
#
# 34 SER HN 34 SER HB2 3.37
&rst
ixpk= 0, nxpk= 0, iat= 506, 510, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87, &end
#
# 34 SER HB3 36 LEU HN 4.61
&rst
ixpk= 0, nxpk= 0, iat= 511, 531, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11, &end
#
# 39 VAL HA 39 VAL QG1 3.70
&rst
ixpk= 0, nxpk= 0, iat= 580, -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
igr2= 584, 585, 586,
&end
#
# 7 VAL HA 8 GLN QG 4.36
&rst
ixpk= 0, nxpk= 0, iat= 85, -1, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39,
igr2= 106, 107,
&end
#
# 7 VAL HA 7 VAL HB 2.78
&rst
ixpk= 0, nxpk= 0, iat= 85, 87, r1= 1.30, r2= 1.80, r3= 2.78, r4= 3.28, &end
#
# 100 VAL HA 101 MET HN 2.81
&rst
ixpk= 0, nxpk= 0, iat=1482,1496, r1= 1.30, r2= 1.80, r3= 2.81, r4= 3.31, &end
#
# 11 THR HA 12 GLY HN 2.78
&rst
ixpk= 0, nxpk= 0, iat= 143, 155, r1= 1.30, r2= 1.80, r3= 2.78, r4= 3.28, &end
#
# 70 SER HA 70 SER QB 2.96
&rst
ixpk= 0, nxpk= 0, iat=1029, -1, r1= 1.30, r2= 1.80, r3= 3.32, r4= 3.82,
igr2=1031,1032,
&end
#
# 26 GLU HA 29 ILE HN 4.37
&rst
ixpk= 0, nxpk= 0, iat= 373, 412, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87, &end
#
# 26 GLU HA 29 ILE HB 3.44
&rst
ixpk= 0, nxpk= 0, iat= 373, 416, r1= 1.30, r2= 1.80, r3= 3.44, r4= 3.94, &end
#
# 26 GLU HA 30 TYR HN 5.30
&rst
ixpk= 0, nxpk= 0, iat= 373, 431, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, &end
#
# 32 PHE HA 32 PHE HD 4.11
&rst
ixpk= 0, nxpk= 0, iat= 468, -1, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,
igr2= 474, 482,
&end
#
# 62 HIS HD2 63 GLU HA 4.79
&rst
ixpk= 0, nxpk= 0, iat= 930, 936, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29, &end
#
# 45 ILE HA 52 THR QG2 3.34
&rst
ixpk= 0, nxpk= 0, iat= 687, -1, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51,
igr2= 790, 791, 792,
&end
#
# 22 TYR HA 22 TYR HD 4.39
&rst
ixpk= 0, nxpk= 0, iat= 306, -1, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43,
igr2= 312, 321,
&end
#
# 98 SER HA 98 SER QB 2.71
&rst
ixpk= 0, nxpk= 0, iat=1454, -1, r1= 1.30, r2= 1.80, r3= 3.04, r4= 3.54,
igr2=1456,1457,
&end
#
# 7 VAL HB 98 SER HA 3.13
&rst
ixpk= 0, nxpk= 0, iat= 87,1454, r1= 1.30, r2= 1.80, r3= 3.13, r4= 3.63, &end
#
# 20 LEU QD1 25 THR HA 4.27
&rst
ixpk= 0, nxpk= 0, iat= -1, 359, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63,
igr1= 280, 281, 282,
&end
#
# 62 HIS HA 62 HIS HD2 4.84
&rst
ixpk= 0, nxpk= 0, iat= 919, 930, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34, &end
#
# 62 HIS HA 89 THR HA 4.90
&rst
ixpk= 0, nxpk= 0, iat= 919,1349, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40, &end
#
# 44 GLU HA 45 ILE HG12 5.22
&rst
ixpk= 0, nxpk= 0, iat= 672, 695, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72, &end
#
# 77 GLN HA 77 GLN HG3 3.84
&rst
ixpk= 0, nxpk= 0, iat=1139,1145, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34, &end
#
# 5 PHE HA 5 PHE HD 3.46
&rst
ixpk= 0, nxpk= 0, iat= 51, -1, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38,
igr2= 57, 65,
&end
#
# 72 ASP HA 83 LEU QD2 4.50
&rst
ixpk= 0, nxpk= 0, iat=1062, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2=1263,1264,1265,
&end
#
# 27 ASN HA 30 TYR HD 4.70
&rst
ixpk= 0, nxpk= 0, iat= 388, -1, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
igr2= 439, 448,
&end
#
# 4 GLU HA 4 GLU QB 2.77
&rst
ixpk= 0, nxpk= 0, iat= 36, -1, r1= 1.30, r2= 1.80, r3= 3.11, r4= 3.61,
igr2= 38, 39,
&end
#
# 4 GLU HA 5 PHE HD 5.15
&rst
ixpk= 0, nxpk= 0, iat= 36, -1, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28,
igr2= 57, 65,
&end
#
# 3 SER QB 4 GLU HA 4.17
&rst
ixpk= 0, nxpk= 0, iat= -1, 36, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,
igr1= 27, 28,
&end
#
# 69 MET QE 84 PHE HA 4.76
&rst
ixpk= 0, nxpk= 0, iat= -1,1271, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,
igr1=1021,1022,1023,
&end
#
# 36 LEU HA 36 LEU HG 3.32
&rst
ixpk= 0, nxpk= 0, iat= 533, 538, r1= 1.30, r2= 1.80, r3= 3.32, r4= 3.82, &end
#
# 36 LEU HA 36 LEU QD1 3.59
&rst
ixpk= 0, nxpk= 0, iat= 533, -1, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81,
igr2= 540, 541, 542,
&end
#
# 82 GLU HA 83 LEU HN 3.01
&rst
ixpk= 0, nxpk= 0, iat=1237,1250, r1= 1.30, r2= 1.80, r3= 3.01, r4= 3.51, &end
#
# 76 MET HA 76 MET HG3 2.40
&rst
ixpk= 0, nxpk= 0, iat=1122,1128, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90, &end
#
# 60 ALA HA 61 THR QG2 3.91
&rst
ixpk= 0, nxpk= 0, iat= 895, -1, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,
igr2= 909, 910, 911,
&end
#
# 14 CYS HA 58 GLU HA 4.56
&rst
ixpk= 0, nxpk= 0, iat= 181, 860, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06, &end
#
# 58 GLU HA 59 PHE HD 5.48
&rst
ixpk= 0, nxpk= 0, iat= 860, -1, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65,
igr2= 881, 889,
&end
#
# 32 PHE HE 71 LYS HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1040, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 476, 480,
&end
#
# 66 VAL HB 67 ALA HA 4.87
&rst
ixpk= 0, nxpk= 0, iat= 978, 992, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37, &end
#
# 67 ALA HA 68 ALA QB 4.97
&rst
ixpk= 0, nxpk= 0, iat= 992, -1, r1= 1.30, r2= 1.80, r3= 5.97, r4= 6.47,
igr2=1004,1005,1006,
&end
#
# 66 VAL QG1 67 ALA HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 992, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 980, 981, 982,
&end
#
# 20 LEU HA 20 LEU HG 4.03
&rst
ixpk= 0, nxpk= 0, iat= 273, 278, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53, &end
#
# 65 ALA HA 68 ALA QB 3.85
&rst
ixpk= 0, nxpk= 0, iat= 966, -1, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
igr2=1004,1005,1006,
&end
#
# 16 HIS HA 17 MET HB2 5.29
&rst
ixpk= 0, nxpk= 0, iat= 208, 227, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79, &end
#
# 17 MET HA 81 ILE QG2 5.00
&rst
ixpk= 0, nxpk= 0, iat= 225, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr2=1222,1223,1224,
&end
#
# 13 HIS HA 65 ALA QB 5.27
&rst
ixpk= 0, nxpk= 0, iat= 164, -1, r1= 1.30, r2= 1.80, r3= 6.33, r4= 6.83,
igr2= 968, 969, 970,
&end
#
# 17 MET HA 83 LEU QD2 5.17
&rst
ixpk= 0, nxpk= 0, iat= 225, -1, r1= 1.30, r2= 1.80, r3= 6.21, r4= 6.71,
igr2=1263,1264,1265,
&end
#
# 20 LEU QD2 24 ALA HA 5.12
&rst
ixpk= 0, nxpk= 0, iat= -1, 349, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65,
igr1= 284, 285, 286,
&end
#
# 17 MET HB2 83 LEU HA 4.42
&rst
ixpk= 0, nxpk= 0, iat= 227,1252, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92, &end
#
# 48 ASP HA 49 GLY HN 3.48
&rst
ixpk= 0, nxpk= 0, iat= 727, 737, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98, &end
#
# 91 ALA HA 92 SER QB 4.37
&rst
ixpk= 0, nxpk= 0, iat=1370, -1, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,
igr2=1382,1383,
&end
#
# 95 ALA HA 96 TYR HD 5.09
&rst
ixpk= 0, nxpk= 0, iat=1412, -1, r1= 1.30, r2= 1.80, r3= 5.71, r4= 6.21,
igr2=1428,1437,
&end
#
# 85 LEU HB3 86 ASN HA 5.14
&rst
ixpk= 0, nxpk= 0, iat=1294,1310, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64, &end
#
# 30 TYR HE 37 ASN HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 552, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 441, 446,
&end
#
# 30 TYR HD 37 ASN HA 5.36
&rst
ixpk= 0, nxpk= 0, iat= -1, 552, r1= 1.30, r2= 1.80, r3= 6.02, r4= 6.52,
igr1= 439, 448,
&end
#
# 37 ASN HA 38 PRO HD3 3.63
&rst
ixpk= 0, nxpk= 0, iat= 552, 566, r1= 1.30, r2= 1.80, r3= 3.63, r4= 4.13, &end
#
# 36 LEU HB2 37 ASN HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= 535, 552, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 35 PRO HD3 36 LEU QD1 5.50
&rst
ixpk= 0, nxpk= 0, iat= 519, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 540, 541, 542,
&end
#
# 47 PRO HD2 48 ASP HN 4.94
&rst
ixpk= 0, nxpk= 0, iat= 712, 725, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44, &end
#
# 46 GLY HA2 47 PRO HD2 3.69
&rst
ixpk= 0, nxpk= 0, iat= 706, 712, r1= 1.30, r2= 1.80, r3= 3.69, r4= 4.19, &end
#
# 46 GLY HA2 47 PRO HD3 3.73
&rst
ixpk= 0, nxpk= 0, iat= 706, 713, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23, &end
#
# 56 ASP HN 56 ASP HB2 4.20
&rst
ixpk= 0, nxpk= 0, iat= 830, 834, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 14 CYS QB 56 ASP HB2 4.72
&rst
ixpk= 0, nxpk= 0, iat= -1, 834, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 183, 184,
&end
#
# 55 ALA QB 56 ASP HB2 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 834, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 824, 825, 826,
&end
#
# 45 ILE QG2 49 GLY HA2 4.09
&rst
ixpk= 0, nxpk= 0, iat= -1, 739, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,
igr1= 691, 692, 693,
&end
#
# 48 ASP HN 49 GLY HA2 5.47
&rst
ixpk= 0, nxpk= 0, iat= 725, 739, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97, &end
#
# 17 MET HB2 83 LEU HB2 4.59
&rst
ixpk= 0, nxpk= 0, iat= 227,1254, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09, &end
#
# 46 GLY HA2 52 THR QG2 4.86
&rst
ixpk= 0, nxpk= 0, iat= 706, -1, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
igr2= 790, 791, 792,
&end
#
# 45 ILE HB 49 GLY HA2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 689, 739, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 48 ASP HB2 49 GLY HA2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 729, 739, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 11 THR QG2 12 GLY HA3 5.36
&rst
ixpk= 0, nxpk= 0, iat= -1, 158, r1= 1.30, r2= 1.80, r3= 6.44, r4= 6.94,
igr1= 147, 148, 149,
&end
#
# 83 LEU HB3 84 PHE HN 5.50
&rst
ixpk= 0, nxpk= 0, iat=1255,1269, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 46 GLY HA2 47 PRO QG 4.49
&rst
ixpk= 0, nxpk= 0, iat= 706, -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr2= 715, 716,
&end
#
# 50 ARG HD2 51 VAL HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= 754, 768, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 73 ARG HA 73 ARG QD 3.77
&rst
ixpk= 0, nxpk= 0, iat=1074, -1, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73,
igr2=1082,1083,
&end
#
# 69 MET QE 72 ASP HB2 5.04
&rst
ixpk= 0, nxpk= 0, iat= -1,1064, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
igr1=1021,1022,1023,
&end
#
# 72 ASP HB2 83 LEU QD1 5.03
&rst
ixpk= 0, nxpk= 0, iat=1064, -1, r1= 1.30, r2= 1.80, r3= 6.04, r4= 6.54,
igr2=1259,1260,1261,
&end
#
# 69 MET QE 72 ASP HB3 5.08
&rst
ixpk= 0, nxpk= 0, iat= -1,1065, r1= 1.30, r2= 1.80, r3= 6.10, r4= 6.60,
igr1=1021,1022,1023,
&end
#
# 28 ASP HB2 29 ILE HG13 5.39
&rst
ixpk= 0, nxpk= 0, iat= 404, 423, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89, &end
#
# 93 ASN QB 94 GLY HN 4.75
&rst
ixpk= 0, nxpk= 0, iat= -1,1403, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83,
igr1=1393,1394,
&end
#
# 74 ALA QB 75 ASN QB 5.22
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.04, r4= 7.54,
igr1=1100,1101,1102,
igr2=1110,1111,
&end
#
# 37 ASN HB2 38 PRO HD3 4.33
&rst
ixpk= 0, nxpk= 0, iat= 554, 566, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83, &end
#
# 37 ASN HB3 37 ASN HND2 4.01
&rst
ixpk= 0, nxpk= 0, iat= 555, 560, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51, &end
#
# 37 ASN HB3 38 PRO HD3 4.48
&rst
ixpk= 0, nxpk= 0, iat= 555, 566, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98, &end
#
# 4 GLU HA 5 PHE HB2 4.58
&rst
ixpk= 0, nxpk= 0, iat= 36, 53, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08, &end
#
# 7 VAL QG1 96 TYR HB2 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1424, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 89, 90, 91,
&end
#
# 96 TYR HB2 97 SER HN 4.52
&rst
ixpk= 0, nxpk= 0, iat=1424,1441, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02, &end
#
# 96 TYR HA 96 TYR HB3 2.91
&rst
ixpk= 0, nxpk= 0, iat=1422,1425, r1= 1.30, r2= 1.80, r3= 2.91, r4= 3.41, &end
#
# 86 ASN HN 86 ASN HB2 4.21
&rst
ixpk= 0, nxpk= 0, iat=1308,1312, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71, &end
#
# 43 ILE HB 44 GLU HN 5.31
&rst
ixpk= 0, nxpk= 0, iat= 655, 670, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81, &end
#
# 27 ASN HB3 27 ASN HND1 3.71
&rst
ixpk= 0, nxpk= 0, iat= 391, 395, r1= 1.30, r2= 1.80, r3= 3.71, r4= 4.21, &end
#
# 64 GLU HN 64 GLU QG 4.68
&rst
ixpk= 0, nxpk= 0, iat= 949, -1, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75,
igr2= 956, 957,
&end
#
# 64 GLU HA 64 GLU QG 4.19
&rst
ixpk= 0, nxpk= 0, iat= 951, -1, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,
igr2= 956, 957,
&end
#
# 43 ILE HN 43 ILE HB 3.98
&rst
ixpk= 0, nxpk= 0, iat= 651, 655, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48, &end
#
# 30 TYR HN 30 TYR HB2 3.82
&rst
ixpk= 0, nxpk= 0, iat= 431, 435, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32, &end
#
# 61 THR HB 63 GLU HG2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 907, 941, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 63 GLU HN 63 GLU HG2 4.05
&rst
ixpk= 0, nxpk= 0, iat= 934, 941, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55, &end
#
# 63 GLU HG2 66 VAL QG2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 941, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 984, 985, 986,
&end
#
# 22 TYR HB2 51 VAL QG2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 308, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 778, 779, 780,
&end
#
# 26 GLU HG2 27 ASN HA 4.51
&rst
ixpk= 0, nxpk= 0, iat= 378, 388, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01, &end
#
# 26 GLU HG2 41 VAL QG2 4.03
&rst
ixpk= 0, nxpk= 0, iat= 378, -1, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,
igr2= 628, 629, 630,
&end
#
# 26 GLU HN 26 GLU HG2 4.10
&rst
ixpk= 0, nxpk= 0, iat= 371, 378, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60, &end
#
# 82 GLU QB 82 GLU QG 2.46
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.10, r4= 3.60,
igr1=1239,1240,
igr2=1242,1243,
&end
#
# 26 GLU HG2 27 ASN HN 5.19
&rst
ixpk= 0, nxpk= 0, iat= 378, 386, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69, &end
#
# 26 GLU HG2 28 ASP HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= 378, 400, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 63 GLU HN 63 GLU HG3 4.16
&rst
ixpk= 0, nxpk= 0, iat= 934, 942, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66, &end
#
# 58 GLU HN 58 GLU QG 4.60
&rst
ixpk= 0, nxpk= 0, iat= 858, -1, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
igr2= 865, 866,
&end
#
# 44 GLU HG2 45 ILE HN 4.36
&rst
ixpk= 0, nxpk= 0, iat= 677, 685, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86, &end
#
# 44 GLU HN 44 GLU HG2 4.56
&rst
ixpk= 0, nxpk= 0, iat= 670, 677, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06, &end
#
# 4 GLU HN 4 GLU QG 4.20
&rst
ixpk= 0, nxpk= 0, iat= 34, -1, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
igr2= 41, 42,
&end
#
# 4 GLU HA 4 GLU QG 3.97
&rst
ixpk= 0, nxpk= 0, iat= 36, -1, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96,
igr2= 41, 42,
&end
#
# 15 VAL HB 59 PHE HE 4.66
&rst
ixpk= 0, nxpk= 0, iat= 194, -1, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73,
igr2= 883, 887,
&end
#
# 76 MET HB2 81 ILE QD1 5.32
&rst
ixpk= 0, nxpk= 0, iat=1124, -1, r1= 1.30, r2= 1.80, r3= 6.39, r4= 6.89,
igr2=1229,1230,1231,
&end
#
# 30 TYR HE 41 VAL HB 5.22
&rst
ixpk= 0, nxpk= 0, iat= -1, 622, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36,
igr1= 441, 446,
&end
#
# 77 GLN HG2 78 HIS HN 4.68
&rst
ixpk= 0, nxpk= 0, iat=1144,1154, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18, &end
#
# 99 GLN QG 101 MET HN 3.91
&rst
ixpk= 0, nxpk= 0, iat= -1,1496, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89,
igr1=1470,1471,
&end
#
# 77 GLN HG3 78 HIS HB3 3.79
&rst
ixpk= 0, nxpk= 0, iat=1145,1159, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29, &end
#
# 40 ARG HN 40 ARG QB 4.13
&rst
ixpk= 0, nxpk= 0, iat= 594, -1, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,
igr2= 598, 599,
&end
#
# 101 MET HA 101 MET HG2 3.68
&rst
ixpk= 0, nxpk= 0, iat=1498,1503, r1= 1.30, r2= 1.80, r3= 3.68, r4= 4.18, &end
#
# 101 MET HN 101 MET HG3 4.43
&rst
ixpk= 0, nxpk= 0, iat=1496,1504, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93, &end
#
# 14 CYS QB 58 GLU HA 4.43
&rst
ixpk= 0, nxpk= 0, iat= -1, 860, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47,
igr1= 183, 184,
&end
#
# 100 VAL QQG 101 MET HG3 7.09
&rst
ixpk= 0, nxpk= 0, iat=1483,1504, r1= 1.30, r2= 1.80, r3= 7.09, r4= 7.59, &end
#
# 30 TYR HE 38 PRO HB3 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 572, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 441, 446,
&end
#
# 78 HIS HB2 79 ARG HN 5.30
&rst
ixpk= 0, nxpk= 0, iat=1158,1171, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, &end
#
# 29 ILE HG12 30 TYR HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= 422, 431, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 26 GLU HB2 30 TYR HE 5.00
&rst
ixpk= 0, nxpk= 0, iat= 375, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2= 441, 446,
&end
#
# 26 GLU HB3 41 VAL QG2 4.65
&rst
ixpk= 0, nxpk= 0, iat= 376, -1, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08,
igr2= 628, 629, 630,
&end
#
# 43 ILE HG12 55 ALA HA 5.45
&rst
ixpk= 0, nxpk= 0, iat= 661, 822, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95, &end
#
# 43 ILE HN 43 ILE HG12 4.90
&rst
ixpk= 0, nxpk= 0, iat= 651, 661, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40, &end
#
# 43 ILE HG12 44 GLU HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= 661, 670, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 43 ILE HN 43 ILE HG13 4.94
&rst
ixpk= 0, nxpk= 0, iat= 651, 662, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44, &end
#
# 63 GLU HN 63 GLU HB3 4.10
&rst
ixpk= 0, nxpk= 0, iat= 934, 939, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60, &end
#
# 73 ARG HN 83 LEU QD1 5.50
&rst
ixpk= 0, nxpk= 0, iat=1072, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1259,1260,1261,
&end
#
# 33 PHE HE 83 LEU QD1 4.93
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.65, r4= 7.15,
igr1= 496, 500,
igr2=1259,1260,1261,
&end
#
# 69 MET QE 83 LEU QD1 4.06
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36,
igr1=1021,1022,1023,
igr2=1259,1260,1261,
&end
#
# 13 HIS HB3 65 ALA QB 5.22
&rst
ixpk= 0, nxpk= 0, iat= 167, -1, r1= 1.30, r2= 1.80, r3= 6.27, r4= 6.77,
igr2= 968, 969, 970,
&end
#
# 66 VAL HN 69 MET HB2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 974,1014, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 66 VAL QG2 69 MET HB2 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1014, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 984, 985, 986,
&end
#
# 71 LYS HA 71 LYS HG3 3.84
&rst
ixpk= 0, nxpk= 0, iat=1040,1046, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34, &end
#
# 13 HIS HB2 65 ALA QB 5.20
&rst
ixpk= 0, nxpk= 0, iat= 166, -1, r1= 1.30, r2= 1.80, r3= 6.24, r4= 6.74,
igr2= 968, 969, 970,
&end
#
# 13 HIS HB3 14 CYS HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= 167, 179, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 46 GLY HA3 47 PRO QG 4.03
&rst
ixpk= 0, nxpk= 0, iat= 707, -1, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02,
igr2= 715, 716,
&end
#
# 36 LEU HG 37 ASN HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= 538, 550, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 40 ARG HN 40 ARG HG2 4.95
&rst
ixpk= 0, nxpk= 0, iat= 594, 601, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45, &end
#
# 40 ARG HA 40 ARG HG2 3.79
&rst
ixpk= 0, nxpk= 0, iat= 596, 601, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29, &end
#
# 30 TYR HB3 40 ARG HG2 3.65
&rst
ixpk= 0, nxpk= 0, iat= 436, 601, r1= 1.30, r2= 1.80, r3= 3.65, r4= 4.15, &end
#
# 40 ARG HA 40 ARG HG3 3.87
&rst
ixpk= 0, nxpk= 0, iat= 596, 602, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37, &end
#
# 30 TYR HB3 40 ARG HG3 3.74
&rst
ixpk= 0, nxpk= 0, iat= 436, 602, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24, &end
#
# 40 ARG HN 40 ARG HG3 5.46
&rst
ixpk= 0, nxpk= 0, iat= 594, 602, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96, &end
#
# 71 LYS HG2 71 LYS HE2 4.09
&rst
ixpk= 0, nxpk= 0, iat=1045,1051, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59, &end
#
# 71 LYS HG2 72 ASP HN 5.01
&rst
ixpk= 0, nxpk= 0, iat=1045,1060, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51, &end
#
# 71 LYS HA 71 LYS HG2 3.91
&rst
ixpk= 0, nxpk= 0, iat=1040,1045, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41, &end
#
# 85 LEU HA 85 LEU QD1 4.71
&rst
ixpk= 0, nxpk= 0, iat=1291, -1, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
igr2=1298,1299,1300,
&end
#
# 85 LEU HB3 85 LEU QD1 3.43
&rst
ixpk= 0, nxpk= 0, iat=1294, -1, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62,
igr2=1298,1299,1300,
&end
#
# 85 LEU QD1 87 SER QB 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1298,1299,1300,
igr2=1326,1327,
&end
#
# 32 PHE HE 83 LEU QD2 5.28
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.12, r4= 7.62,
igr1= 476, 480,
igr2=1263,1264,1265,
&end
#
# 20 LEU HN 20 LEU QD1 4.57
&rst
ixpk= 0, nxpk= 0, iat= 271, -1, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99,
igr2= 280, 281, 282,
&end
#
# 20 LEU HA 20 LEU QD1 3.96
&rst
ixpk= 0, nxpk= 0, iat= 273, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr2= 280, 281, 282,
&end
#
# 20 LEU QD1 29 ILE HA 4.59
&rst
ixpk= 0, nxpk= 0, iat= -1, 414, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01,
igr1= 280, 281, 282,
&end
#
# 20 LEU HB3 20 LEU QD1 3.22
&rst
ixpk= 0, nxpk= 0, iat= 276, -1, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37,
igr2= 280, 281, 282,
&end
#
# 36 LEU QD2 59 PHE HE 4.43
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.97, r4= 6.47,
igr1= 544, 545, 546,
igr2= 883, 887,
&end
#
# 36 LEU HA 36 LEU QD2 3.95
&rst
ixpk= 0, nxpk= 0, iat= 533, -1, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,
igr2= 544, 545, 546,
&end
#
# 36 LEU QD2 64 GLU HA 3.42
&rst
ixpk= 0, nxpk= 0, iat= -1, 951, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,
igr1= 544, 545, 546,
&end
#
# 36 LEU HB2 36 LEU QD2 3.67
&rst
ixpk= 0, nxpk= 0, iat= 535, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr2= 544, 545, 546,
&end
#
# 36 LEU QD2 68 ALA QB 3.54
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61,
igr1= 544, 545, 546,
igr2=1004,1005,1006,
&end
#
# 20 LEU HA 20 LEU QD2 3.65
&rst
ixpk= 0, nxpk= 0, iat= 273, -1, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,
igr2= 284, 285, 286,
&end
#
# 20 LEU QD2 24 ALA QB 3.09
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96,
igr1= 284, 285, 286,
igr2= 351, 352, 353,
&end
#
# 35 PRO HG3 36 LEU HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= 522, 531, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 44 GLU HN 55 ALA QB 4.12
&rst
ixpk= 0, nxpk= 0, iat= 670, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr2= 824, 825, 826,
&end
#
# 29 ILE QD1 55 ALA QB 3.32
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,
igr1= 425, 426, 427,
igr2= 824, 825, 826,
&end
#
# 15 VAL QG1 16 HIS HN 4.20
&rst
ixpk= 0, nxpk= 0, iat= -1, 206, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr1= 196, 197, 198,
&end
#
# 15 VAL QG1 59 PHE HE 4.99
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 196, 197, 198,
igr2= 883, 887,
&end
#
# 15 VAL QG1 83 LEU HA 4.31
&rst
ixpk= 0, nxpk= 0, iat= -1,1252, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68,
igr1= 196, 197, 198,
&end
#
# 15 VAL QG1 83 LEU QD2 2.62
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1= 196, 197, 198,
igr2=1263,1264,1265,
&end
#
# 15 VAL QG2 16 HIS HN 4.90
&rst
ixpk= 0, nxpk= 0, iat= -1, 206, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
igr1= 200, 201, 202,
&end
#
# 15 VAL QG2 59 PHE HE 4.03
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,
igr1= 200, 201, 202,
igr2= 883, 887,
&end
#
# 15 VAL HA 15 VAL QG2 3.98
&rst
ixpk= 0, nxpk= 0, iat= 192, -1, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28,
igr2= 200, 201, 202,
&end
#
# 15 VAL QG2 85 LEU HA 4.61
&rst
ixpk= 0, nxpk= 0, iat= -1,1291, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,
igr1= 200, 201, 202,
&end
#
# 36 LEU QD1 37 ASN HN 3.74
&rst
ixpk= 0, nxpk= 0, iat= -1, 550, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1= 540, 541, 542,
&end
#
# 36 LEU HB2 36 LEU QD1 3.39
&rst
ixpk= 0, nxpk= 0, iat= 535, -1, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57,
igr2= 540, 541, 542,
&end
#
# 30 TYR HD 41 VAL QG1 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 439, 448,
igr2= 624, 625, 626,
&end
#
# 41 VAL HA 41 VAL QG1 3.52
&rst
ixpk= 0, nxpk= 0, iat= 620, -1, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73,
igr2= 624, 625, 626,
&end
#
# 26 GLU HA 41 VAL QG1 3.86
&rst
ixpk= 0, nxpk= 0, iat= 373, -1, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,
igr2= 624, 625, 626,
&end
#
# 63 GLU HN 66 VAL QG1 4.96
&rst
ixpk= 0, nxpk= 0, iat= 934, -1, r1= 1.30, r2= 1.80, r3= 5.96, r4= 6.46,
igr2= 980, 981, 982,
&end
#
# 56 ASP HA 57 VAL QG2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 832, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 852, 853, 854,
&end
#
# 56 ASP HA 57 VAL QG1 4.15
&rst
ixpk= 0, nxpk= 0, iat= 832, -1, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48,
igr2= 848, 849, 850,
&end
#
# 25 THR QG2 26 GLU HN 3.69
&rst
ixpk= 0, nxpk= 0, iat= -1, 371, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93,
igr1= 363, 364, 365,
&end
#
# 25 THR HN 25 THR QG2 3.73
&rst
ixpk= 0, nxpk= 0, iat= 357, -1, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98,
igr2= 363, 364, 365,
&end
#
# 25 THR HA 25 THR QG2 2.94
&rst
ixpk= 0, nxpk= 0, iat= 359, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr2= 363, 364, 365,
&end
#
# 25 THR QG2 26 GLU HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 373, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 363, 364, 365,
&end
#
# 61 THR QG2 62 HIS QB 5.28
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.12, r4= 7.62,
igr1= 909, 910, 911,
igr2= 921, 922,
&end
#
# 88 THR HN 88 THR QG2 3.55
&rst
ixpk= 0, nxpk= 0, iat=1333, -1, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76,
igr2=1339,1340,1341,
&end
#
# 45 ILE QG2 52 THR QG2 3.24
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,
igr1= 691, 692, 693,
igr2= 790, 791, 792,
&end
#
# 41 VAL HN 41 VAL QG2 4.24
&rst
ixpk= 0, nxpk= 0, iat= 618, -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
igr2= 628, 629, 630,
&end
#
# 30 TYR HE 41 VAL QG2 4.22
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
igr1= 441, 446,
igr2= 628, 629, 630,
&end
#
# 41 VAL HA 41 VAL QG2 3.53
&rst
ixpk= 0, nxpk= 0, iat= 620, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr2= 628, 629, 630,
&end
#
# 51 VAL HN 51 VAL QG2 3.84
&rst
ixpk= 0, nxpk= 0, iat= 768, -1, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,
igr2= 778, 779, 780,
&end
#
# 62 HIS QB 89 THR QG2 4.03
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,
igr1= 921, 922,
igr2=1353,1354,1355,
&end
#
# 89 THR HN 89 THR QG2 3.82
&rst
ixpk= 0, nxpk= 0, iat=1347, -1, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09,
igr2=1353,1354,1355,
&end
#
# 100 VAL HA 100 VAL QQG 5.05
&rst
ixpk= 0, nxpk= 0, iat=1482,1483, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, &end
#
# 100 VAL QQG 101 MET HN 6.39
&rst
ixpk= 0, nxpk= 0, iat=1483,1496, r1= 1.30, r2= 1.80, r3= 6.39, r4= 6.89, &end
#
# 66 VAL HA 66 VAL QG2 3.41
&rst
ixpk= 0, nxpk= 0, iat= 976, -1, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,
igr2= 984, 985, 986,
&end
#
# 39 VAL QG2 60 ALA HN 4.09
&rst
ixpk= 0, nxpk= 0, iat= -1, 893, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,
igr1= 588, 589, 590,
&end
#
# 39 VAL QG2 40 ARG HN 3.67
&rst
ixpk= 0, nxpk= 0, iat= -1, 594, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 588, 589, 590,
&end
#
# 60 ALA HN 60 ALA QB 3.37
&rst
ixpk= 0, nxpk= 0, iat= 893, -1, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55,
igr2= 897, 898, 899,
&end
#
# 60 ALA QB 61 THR QG2 3.52
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,
igr1= 897, 898, 899,
igr2= 909, 910, 911,
&end
#
# 32 PHE HD 74 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= 474, 482,
igr2=1100,1101,1102,
&end
#
# 74 ALA HN 74 ALA QB 3.36
&rst
ixpk= 0, nxpk= 0, iat=1096, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr2=1100,1101,1102,
&end
#
# 32 PHE HZ 74 ALA QB 4.13
&rst
ixpk= 0, nxpk= 0, iat= 478, -1, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,
igr2=1100,1101,1102,
&end
#
# 32 PHE HE 74 ALA QB 3.88
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73,
igr1= 476, 480,
igr2=1100,1101,1102,
&end
#
# 71 LYS HA 74 ALA QB 3.87
&rst
ixpk= 0, nxpk= 0, iat=1040, -1, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,
igr2=1100,1101,1102,
&end
#
# 94 GLY QA 95 ALA QB 4.10
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.53, r4= 6.03,
igr1=1405,1406,
igr2=1414,1415,1416,
&end
#
# 33 PHE HA 68 ALA QB 4.77
&rst
ixpk= 0, nxpk= 0, iat= 488, -1, r1= 1.30, r2= 1.80, r3= 5.73, r4= 6.23,
igr2=1004,1005,1006,
&end
#
# 17 MET QE 32 PHE HD 4.95
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.67, r4= 7.17,
igr1= 234, 235, 236,
igr2= 474, 482,
&end
#
# 17 MET QE 29 ILE HA 5.08
&rst
ixpk= 0, nxpk= 0, iat= -1, 414, r1= 1.30, r2= 1.80, r3= 6.10, r4= 6.60,
igr1= 234, 235, 236,
&end
#
# 17 MET QE 81 ILE QG2 3.11
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1= 234, 235, 236,
igr2=1222,1223,1224,
&end
#
# 17 MET QE 33 PHE HE 3.94
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,
igr1= 234, 235, 236,
igr2= 496, 500,
&end
#
# 29 ILE QG2 30 TYR HN 4.54
&rst
ixpk= 0, nxpk= 0, iat= -1, 431, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95,
igr1= 418, 419, 420,
&end
#
# 29 ILE HN 29 ILE QG2 3.72
&rst
ixpk= 0, nxpk= 0, iat= 412, -1, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97,
igr2= 418, 419, 420,
&end
#
# 29 ILE QG2 29 ILE QD1 3.13
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01,
igr1= 418, 419, 420,
igr2= 425, 426, 427,
&end
#
# 81 ILE QG2 82 GLU HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1237, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1222,1223,1224,
&end
#
# 67 ALA QB 69 MET HN 4.70
&rst
ixpk= 0, nxpk= 0, iat= -1,1010, r1= 1.30, r2= 1.80, r3= 5.64, r4= 6.14,
igr1= 994, 995, 996,
&end
#
# 67 ALA HN 67 ALA QB 3.08
&rst
ixpk= 0, nxpk= 0, iat= 990, -1, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
igr2= 994, 995, 996,
&end
#
# 64 GLU HN 67 ALA QB 5.05
&rst
ixpk= 0, nxpk= 0, iat= 949, -1, r1= 1.30, r2= 1.80, r3= 6.06, r4= 6.56,
igr2= 994, 995, 996,
&end
#
# 64 GLU HA 67 ALA QB 3.44
&rst
ixpk= 0, nxpk= 0, iat= 951, -1, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63,
igr2= 994, 995, 996,
&end
#
# 36 LEU QD2 67 ALA QB 3.21
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.63, r4= 5.13,
igr1= 544, 545, 546,
igr2= 994, 995, 996,
&end
#
# 62 HIS HN 65 ALA QB 5.50
&rst
ixpk= 0, nxpk= 0, iat= 917, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 968, 969, 970,
&end
#
# 45 ILE QG2 45 ILE HG12 3.39
&rst
ixpk= 0, nxpk= 0, iat= -1, 695, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57,
igr1= 691, 692, 693,
&end
#
# 65 ALA QB 66 VAL HN 3.96
&rst
ixpk= 0, nxpk= 0, iat= -1, 974, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr1= 968, 969, 970,
&end
#
# 59 PHE HA 65 ALA QB 5.19
&rst
ixpk= 0, nxpk= 0, iat= 875, -1, r1= 1.30, r2= 1.80, r3= 6.23, r4= 6.73,
igr2= 968, 969, 970,
&end
#
# 59 PHE HB3 65 ALA QB 3.90
&rst
ixpk= 0, nxpk= 0, iat= 878, -1, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,
igr2= 968, 969, 970,
&end
#
# 45 ILE QG2 50 ARG HN 4.09
&rst
ixpk= 0, nxpk= 0, iat= -1, 744, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,
igr1= 691, 692, 693,
&end
#
# 45 ILE HA 45 ILE QG2 3.19
&rst
ixpk= 0, nxpk= 0, iat= 687, -1, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33,
igr2= 691, 692, 693,
&end
#
# 45 ILE HN 45 ILE QG2 4.01
&rst
ixpk= 0, nxpk= 0, iat= 685, -1, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32,
igr2= 691, 692, 693,
&end
#
# 45 ILE QG2 49 GLY HN 3.75
&rst
ixpk= 0, nxpk= 0, iat= -1, 737, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,
igr1= 691, 692, 693,
&end
#
# 45 ILE QG2 49 GLY HA3 3.34
&rst
ixpk= 0, nxpk= 0, iat= -1, 740, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51,
igr1= 691, 692, 693,
&end
#
# 76 MET HG3 76 MET QE 4.00
&rst
ixpk= 0, nxpk= 0, iat=1128, -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr2=1131,1132,1133,
&end
#
# 32 PHE HD 76 MET QE 3.95
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82,
igr1= 474, 482,
igr2=1131,1132,1133,
&end
#
# 29 ILE HA 76 MET QE 3.55
&rst
ixpk= 0, nxpk= 0, iat= 414, -1, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76,
igr2=1131,1132,1133,
&end
#
# 32 PHE QB 76 MET QE 3.34
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,
igr1= 470, 471,
igr2=1131,1132,1133,
&end
#
# 29 ILE HN 76 MET QE 4.15
&rst
ixpk= 0, nxpk= 0, iat= 412, -1, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48,
igr2=1131,1132,1133,
&end
#
# 29 ILE HN 29 ILE QD1 3.86
&rst
ixpk= 0, nxpk= 0, iat= 412, -1, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,
igr2= 425, 426, 427,
&end
#
# 29 ILE QD1 55 ALA HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 822, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 425, 426, 427,
&end
#
# 29 ILE QD1 41 VAL HA 5.14
&rst
ixpk= 0, nxpk= 0, iat= -1, 620, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 425, 426, 427,
&end
#
# 26 GLU HA 29 ILE QD1 4.01
&rst
ixpk= 0, nxpk= 0, iat= 373, -1, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32,
igr2= 425, 426, 427,
&end
#
# 42 HIS QB 43 ILE QD1 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 638, 639,
igr2= 664, 665, 666,
&end
#
# 26 GLU HG3 43 ILE QD1 4.45
&rst
ixpk= 0, nxpk= 0, iat= 379, -1, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
igr2= 664, 665, 666,
&end
#
# 43 ILE HN 43 ILE QD1 4.57
&rst
ixpk= 0, nxpk= 0, iat= 651, -1, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99,
igr2= 664, 665, 666,
&end
#
# 43 ILE QD1 55 ALA HA 4.84
&rst
ixpk= 0, nxpk= 0, iat= -1, 822, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31,
igr1= 664, 665, 666,
&end
#
# 25 THR HA 43 ILE QD1 4.15
&rst
ixpk= 0, nxpk= 0, iat= 359, -1, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48,
igr2= 664, 665, 666,
&end
#
# 26 GLU HA 43 ILE QD1 3.82
&rst
ixpk= 0, nxpk= 0, iat= 373, -1, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09,
igr2= 664, 665, 666,
&end
#
# 45 ILE HA 45 ILE QD1 4.30
&rst
ixpk= 0, nxpk= 0, iat= 687, -1, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
igr2= 698, 699, 700,
&end
#
# 45 ILE HB 45 ILE QD1 3.44
&rst
ixpk= 0, nxpk= 0, iat= 689, -1, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63,
igr2= 698, 699, 700,
&end
#
# 45 ILE QD1 52 THR QG2 3.18
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09,
igr1= 698, 699, 700,
igr2= 790, 791, 792,
&end
#
# 32 PHE HZ 81 ILE QD1 5.50
&rst
ixpk= 0, nxpk= 0, iat= 478, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1229,1230,1231,
&end
#
# 80 TYR HA 81 ILE QD1 5.50
&rst
ixpk= 0, nxpk= 0, iat=1197, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1229,1230,1231,
&end
#
# 81 ILE HA 81 ILE QD1 4.39
&rst
ixpk= 0, nxpk= 0, iat=1218, -1, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77,
igr2=1229,1230,1231,
&end
#
# 17 MET QE 81 ILE QD1 3.96
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.71, r4= 6.21,
igr1= 234, 235, 236,
igr2=1229,1230,1231,
&end
#
# 20 LEU HA 81 ILE QD1 4.39
&rst
ixpk= 0, nxpk= 0, iat= 273, -1, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77,
igr2=1229,1230,1231,
&end
#
# 6 THR HB 7 VAL HN 3.55
&rst
ixpk= 0, nxpk= 0, iat= 73, 83, r1= 1.30, r2= 1.80, r3= 3.55, r4= 4.05, &end
#
# 6 THR HA 6 THR HB 3.00
&rst
ixpk= 0, nxpk= 0, iat= 71, 73, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 6 THR HB 7 VAL QG2 4.49
&rst
ixpk= 0, nxpk= 0, iat= 73, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr2= 93, 94, 95,
&end
#
# 88 THR HA 89 THR HB 4.96
&rst
ixpk= 0, nxpk= 0, iat=1335,1351, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46, &end
#
# 66 VAL HA 69 MET QG 5.10
&rst
ixpk= 0, nxpk= 0, iat= 976, -1, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,
igr2=1017,1018,
&end
#
# 29 ILE HA 33 PHE HN 5.20
&rst
ixpk= 0, nxpk= 0, iat= 414, 486, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70, &end
#
# 92 SER HA 92 SER QB 2.58
&rst
ixpk= 0, nxpk= 0, iat=1380, -1, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40,
igr2=1382,1383,
&end
#
# 3 SER HA 3 SER QB 2.40
&rst
ixpk= 0, nxpk= 0, iat= 25, -1, r1= 1.30, r2= 1.80, r3= 2.69, r4= 3.19,
igr2= 27, 28,
&end
#
# 100 VAL HA 100 VAL HB 2.81
&rst
ixpk= 0, nxpk= 0, iat=1482,1484, r1= 1.30, r2= 1.80, r3= 2.81, r4= 3.31, &end
#
# 52 THR HA 52 THR QG2 3.87
&rst
ixpk= 0, nxpk= 0, iat= 786, -1, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,
igr2= 790, 791, 792,
&end
#
# 100 VAL HA 100 VAL QG1 3.72
&rst
ixpk= 0, nxpk= 0, iat=1482, -1, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97,
igr2=1486,1487,1488,
&end
#
# 99 GLN QG 100 VAL HA 4.87
&rst
ixpk= 0, nxpk= 0, iat= -1,1482, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
igr1=1470,1471,
&end
#
# 11 THR HA 11 THR QG2 3.07
&rst
ixpk= 0, nxpk= 0, iat= 143, -1, r1= 1.30, r2= 1.80, r3= 3.69, r4= 4.19,
igr2= 147, 148, 149,
&end
#
# 6 THR HA 7 VAL QG2 3.94
&rst
ixpk= 0, nxpk= 0, iat= 71, -1, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,
igr2= 93, 94, 95,
&end
#
# 26 GLU HA 43 ILE HG12 5.26
&rst
ixpk= 0, nxpk= 0, iat= 373, 661, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76, &end
#
# 26 GLU HA 29 ILE HG13 3.73
&rst
ixpk= 0, nxpk= 0, iat= 373, 423, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23, &end
#
# 70 SER HA 72 ASP HN 4.98
&rst
ixpk= 0, nxpk= 0, iat=1029,1060, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48, &end
#
# 32 PHE HA 76 MET QE 4.49
&rst
ixpk= 0, nxpk= 0, iat= 468, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr2=1131,1132,1133,
&end
#
# 63 GLU HA 66 VAL QG2 4.26
&rst
ixpk= 0, nxpk= 0, iat= 936, -1, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
igr2= 984, 985, 986,
&end
#
# 63 GLU HA 66 VAL QG1 4.17
&rst
ixpk= 0, nxpk= 0, iat= 936, -1, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51,
igr2= 980, 981, 982,
&end
#
# 88 THR HA 88 THR HB 2.85
&rst
ixpk= 0, nxpk= 0, iat=1335,1337, r1= 1.30, r2= 1.80, r3= 2.85, r4= 3.35, &end
#
# 20 LEU QD2 25 THR HA 4.65
&rst
ixpk= 0, nxpk= 0, iat= -1, 359, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08,
igr1= 284, 285, 286,
&end
#
# 62 HIS HA 65 ALA QB 4.48
&rst
ixpk= 0, nxpk= 0, iat= 919, -1, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88,
igr2= 968, 969, 970,
&end
#
# 9 SER HA 9 SER QB 2.40
&rst
ixpk= 0, nxpk= 0, iat= 118, -1, r1= 1.30, r2= 1.80, r3= 2.69, r4= 3.19,
igr2= 120, 121,
&end
#
# 96 TYR HA 97 SER HN 3.50
&rst
ixpk= 0, nxpk= 0, iat=1422,1441, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 43 ILE QG2 44 GLU HA 5.13
&rst
ixpk= 0, nxpk= 0, iat= -1, 672, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66,
igr1= 657, 658, 659,
&end
#
# 86 ASN HB3 87 SER HA 5.27
&rst
ixpk= 0, nxpk= 0, iat=1313,1324, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77, &end
#
# 87 SER HA 88 THR QG2 5.07
&rst
ixpk= 0, nxpk= 0, iat=1324, -1, r1= 1.30, r2= 1.80, r3= 6.09, r4= 6.59,
igr2=1339,1340,1341,
&end
#
# 40 ARG HA 41 VAL HN 3.38
&rst
ixpk= 0, nxpk= 0, iat= 596, 618, r1= 1.30, r2= 1.80, r3= 3.38, r4= 3.88, &end
#
# 99 GLN HA 99 GLN QG 2.73
&rst
ixpk= 0, nxpk= 0, iat=1465, -1, r1= 1.30, r2= 1.80, r3= 3.06, r4= 3.56,
igr2=1470,1471,
&end
#
# 8 GLN HA 8 GLN HB2 2.40
&rst
ixpk= 0, nxpk= 0, iat= 101, 103, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90, &end
#
# 101 MET HA 101 MET HG3 3.32
&rst
ixpk= 0, nxpk= 0, iat=1498,1504, r1= 1.30, r2= 1.80, r3= 3.32, r4= 3.82, &end
#
# 66 VAL QG2 67 ALA HA 3.96
&rst
ixpk= 0, nxpk= 0, iat= -1, 992, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr1= 984, 985, 986,
&end
#
# 59 PHE HA 65 ALA HA 5.30
&rst
ixpk= 0, nxpk= 0, iat= 875, 966, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, &end
#
# 64 GLU HA 65 ALA HA 5.32
&rst
ixpk= 0, nxpk= 0, iat= 951, 966, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82, &end
#
# 15 VAL HA 16 HIS HA 4.74
&rst
ixpk= 0, nxpk= 0, iat= 192, 208, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24, &end
#
# 94 GLY QA 95 ALA HA 3.99
&rst
ixpk= 0, nxpk= 0, iat= -1,1412, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98,
igr1=1405,1406,
&end
#
# 45 ILE QG2 47 PRO HD2 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 712, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 691, 692, 693,
&end
#
# 55 ALA HA 56 ASP HB2 5.36
&rst
ixpk= 0, nxpk= 0, iat= 822, 834, r1= 1.30, r2= 1.80, r3= 5.36, r4= 5.86, &end
#
# 56 ASP HB2 57 VAL QG1 5.50
&rst
ixpk= 0, nxpk= 0, iat= 834, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 848, 849, 850,
&end
#
# 45 ILE HB 49 GLY HA3 5.03
&rst
ixpk= 0, nxpk= 0, iat= 689, 740, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53, &end
#
# 93 ASN QB 94 GLY QA 4.47
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13,
igr1=1393,1394,
igr2=1405,1406,
&end
#
# 15 VAL QG1 83 LEU HB2 4.68
&rst
ixpk= 0, nxpk= 0, iat= -1,1254, r1= 1.30, r2= 1.80, r3= 5.62, r4= 6.12,
igr1= 196, 197, 198,
&end
#
# 15 VAL QG1 83 LEU HB3 4.71
&rst
ixpk= 0, nxpk= 0, iat= -1,1255, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
igr1= 196, 197, 198,
&end
#
# 46 GLY HA3 52 THR QG2 5.08
&rst
ixpk= 0, nxpk= 0, iat= 707, -1, r1= 1.30, r2= 1.80, r3= 6.10, r4= 6.60,
igr2= 790, 791, 792,
&end
#
# 11 THR QG2 12 GLY HA2 5.21
&rst
ixpk= 0, nxpk= 0, iat= -1, 157, r1= 1.30, r2= 1.80, r3= 6.26, r4= 6.76,
igr1= 147, 148, 149,
&end
#
# 12 GLY HA3 92 SER HA 4.91
&rst
ixpk= 0, nxpk= 0, iat= 158,1380, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41, &end
#
# 50 ARG HN 50 ARG HD2 4.71
&rst
ixpk= 0, nxpk= 0, iat= 744, 754, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21, &end
#
# 50 ARG HA 50 ARG HD3 5.49
&rst
ixpk= 0, nxpk= 0, iat= 746, 755, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99, &end
#
# 50 ARG HN 50 ARG HD3 5.00
&rst
ixpk= 0, nxpk= 0, iat= 744, 755, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 40 ARG QB 40 ARG QD 3.62
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06,
igr1= 598, 599,
igr2= 604, 605,
&end
#
# 72 ASP HA 73 ARG QD 4.95
&rst
ixpk= 0, nxpk= 0, iat=1062, -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
igr2=1082,1083,
&end
#
# 73 ARG HN 73 ARG QD 4.69
&rst
ixpk= 0, nxpk= 0, iat=1072, -1, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76,
igr2=1082,1083,
&end
#
# 36 LEU HB3 37 ASN HN 5.18
&rst
ixpk= 0, nxpk= 0, iat= 536, 550, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68, &end
#
# 34 SER HN 36 LEU HB2 5.42
&rst
ixpk= 0, nxpk= 0, iat= 506, 535, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92, &end
#
# 36 LEU HB3 36 LEU QD1 3.39
&rst
ixpk= 0, nxpk= 0, iat= 536, -1, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57,
igr2= 540, 541, 542,
&end
#
# 71 LYS HE2 74 ALA QB 4.30
&rst
ixpk= 0, nxpk= 0, iat=1051, -1, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
igr2=1100,1101,1102,
&end
#
# 71 LYS HA 71 LYS HE3 4.61
&rst
ixpk= 0, nxpk= 0, iat=1040,1052, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11, &end
#
# 85 LEU HB2 86 ASN HN 5.00
&rst
ixpk= 0, nxpk= 0, iat=1293,1308, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 72 ASP HB3 83 LEU QD1 4.76
&rst
ixpk= 0, nxpk= 0, iat=1065, -1, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,
igr2=1259,1260,1261,
&end
#
# 37 ASN HB3 39 VAL QG2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 555, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 588, 589, 590,
&end
#
# 37 ASN HN 37 ASN HB2 3.62
&rst
ixpk= 0, nxpk= 0, iat= 550, 554, r1= 1.30, r2= 1.80, r3= 3.62, r4= 4.12, &end
#
# 37 ASN HB2 37 ASN HND2 4.04
&rst
ixpk= 0, nxpk= 0, iat= 554, 560, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54, &end
#
# 36 LEU QD1 37 ASN HB2 5.34
&rst
ixpk= 0, nxpk= 0, iat= -1, 554, r1= 1.30, r2= 1.80, r3= 6.41, r4= 6.91,
igr1= 540, 541, 542,
&end
#
# 37 ASN HN 37 ASN HB3 3.55
&rst
ixpk= 0, nxpk= 0, iat= 550, 555, r1= 1.30, r2= 1.80, r3= 3.55, r4= 4.05, &end
#
# 47 PRO QG 48 ASP HB3 4.38
&rst
ixpk= 0, nxpk= 0, iat= -1, 730, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,
igr1= 715, 716,
&end
#
# 5 PHE HB3 6 THR HN 3.85
&rst
ixpk= 0, nxpk= 0, iat= 54, 69, r1= 1.30, r2= 1.80, r3= 3.85, r4= 4.35, &end
#
# 47 PRO QG 48 ASP HB2 4.80
&rst
ixpk= 0, nxpk= 0, iat= -1, 729, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1= 715, 716,
&end
#
# 14 CYS QB 86 ASN HB3 4.73
&rst
ixpk= 0, nxpk= 0, iat= -1,1313, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,
igr1= 183, 184,
&end
#
# 85 LEU QD2 86 ASN HB3 5.38
&rst
ixpk= 0, nxpk= 0, iat= -1,1313, r1= 1.30, r2= 1.80, r3= 6.46, r4= 6.96,
igr1=1302,1303,1304,
&end
#
# 44 GLU HA 45 ILE HB 4.73
&rst
ixpk= 0, nxpk= 0, iat= 672, 689, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23, &end
#
# 7 VAL HB 96 TYR HB2 5.14
&rst
ixpk= 0, nxpk= 0, iat= 87,1424, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64, &end
#
# 7 VAL QG2 96 TYR HB3 5.21
&rst
ixpk= 0, nxpk= 0, iat= -1,1425, r1= 1.30, r2= 1.80, r3= 6.26, r4= 6.76,
igr1= 93, 94, 95,
&end
#
# 15 VAL HA 86 ASN HB3 5.17
&rst
ixpk= 0, nxpk= 0, iat= 192,1313, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67, &end
#
# 96 TYR HN 96 TYR HB2 4.16
&rst
ixpk= 0, nxpk= 0, iat=1420,1424, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66, &end
#
# 95 ALA QB 96 TYR HB3 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1425, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1414,1415,1416,
&end
#
# 15 VAL HA 86 ASN HB2 3.48
&rst
ixpk= 0, nxpk= 0, iat= 192,1312, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98, &end
#
# 26 GLU HN 27 ASN HB3 5.09
&rst
ixpk= 0, nxpk= 0, iat= 371, 391, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59, &end
#
# 25 THR QG2 27 ASN HB3 5.24
&rst
ixpk= 0, nxpk= 0, iat= -1, 391, r1= 1.30, r2= 1.80, r3= 6.29, r4= 6.79,
igr1= 363, 364, 365,
&end
#
# 42 HIS HA 43 ILE HB 4.45
&rst
ixpk= 0, nxpk= 0, iat= 636, 655, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95, &end
#
# 31 ASN HB3 76 MET QE 5.50
&rst
ixpk= 0, nxpk= 0, iat= 457, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1131,1132,1133,
&end
#
# 63 GLU HG3 64 GLU HN 5.18
&rst
ixpk= 0, nxpk= 0, iat= 942, 949, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68, &end
#
# 63 GLU HG2 64 GLU HN 4.71
&rst
ixpk= 0, nxpk= 0, iat= 941, 949, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21, &end
#
# 63 GLU HA 63 GLU HG2 3.71
&rst
ixpk= 0, nxpk= 0, iat= 936, 941, r1= 1.30, r2= 1.80, r3= 3.71, r4= 4.21, &end
#
# 25 THR HB 26 GLU HG2 4.29
&rst
ixpk= 0, nxpk= 0, iat= 361, 378, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79, &end
#
# 26 GLU HN 26 GLU HG3 4.17
&rst
ixpk= 0, nxpk= 0, iat= 371, 379, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67, &end
#
# 26 GLU HG3 28 ASP HN 5.05
&rst
ixpk= 0, nxpk= 0, iat= 379, 400, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, &end
#
# 63 GLU HA 63 GLU HG3 3.64
&rst
ixpk= 0, nxpk= 0, iat= 936, 942, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14, &end
#
# 26 GLU HA 26 GLU HG2 3.78
&rst
ixpk= 0, nxpk= 0, iat= 373, 378, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28, &end
#
# 25 THR HB 26 GLU HG3 4.29
&rst
ixpk= 0, nxpk= 0, iat= 361, 379, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79, &end
#
# 26 GLU HA 26 GLU HG3 3.86
&rst
ixpk= 0, nxpk= 0, iat= 373, 379, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36, &end
#
# 29 ILE HB 41 VAL HA 5.12
&rst
ixpk= 0, nxpk= 0, iat= 416, 620, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62, &end
#
# 28 ASP HA 29 ILE HB 5.01
&rst
ixpk= 0, nxpk= 0, iat= 402, 416, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51, &end
#
# 44 GLU HA 44 GLU HG2 4.12
&rst
ixpk= 0, nxpk= 0, iat= 672, 677, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62, &end
#
# 44 GLU HB2 44 GLU HG2 2.82
&rst
ixpk= 0, nxpk= 0, iat= 674, 677, r1= 1.30, r2= 1.80, r3= 2.82, r4= 3.32, &end
#
# 29 ILE HB 30 TYR HN 4.01
&rst
ixpk= 0, nxpk= 0, iat= 416, 431, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51, &end
#
# 44 GLU HG3 45 ILE HN 4.16
&rst
ixpk= 0, nxpk= 0, iat= 678, 685, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66, &end
#
# 15 VAL HB 59 PHE HD 5.48
&rst
ixpk= 0, nxpk= 0, iat= 194, -1, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65,
igr2= 881, 889,
&end
#
# 76 MET HB3 77 GLN HG2 5.21
&rst
ixpk= 0, nxpk= 0, iat=1125,1144, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71, &end
#
# 14 CYS QB 15 VAL HB 5.41
&rst
ixpk= 0, nxpk= 0, iat= -1, 194, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 183, 184,
&end
#
# 76 MET HB2 81 ILE QG2 5.46
&rst
ixpk= 0, nxpk= 0, iat=1124, -1, r1= 1.30, r2= 1.80, r3= 6.56, r4= 7.06,
igr2=1222,1223,1224,
&end
#
# 41 VAL HN 41 VAL HB 3.92
&rst
ixpk= 0, nxpk= 0, iat= 618, 622, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42, &end
#
# 26 GLU HA 41 VAL HB 5.08
&rst
ixpk= 0, nxpk= 0, iat= 373, 622, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58, &end
#
# 15 VAL HN 57 VAL HB 5.29
&rst
ixpk= 0, nxpk= 0, iat= 190, 846, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79, &end
#
# 56 ASP HA 57 VAL HB 5.50
&rst
ixpk= 0, nxpk= 0, iat= 832, 846, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 57 VAL HB 58 GLU HN 4.95
&rst
ixpk= 0, nxpk= 0, iat= 846, 858, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45, &end
#
# 40 ARG QB 41 VAL HN 4.12
&rst
ixpk= 0, nxpk= 0, iat= -1, 618, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
igr1= 598, 599,
&end
#
# 77 GLN HN 77 GLN HG2 4.39
&rst
ixpk= 0, nxpk= 0, iat=1137,1144, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89, &end
#
# 77 GLN HN 77 GLN HG3 4.48
&rst
ixpk= 0, nxpk= 0, iat=1137,1145, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98, &end
#
# 39 VAL QG2 40 ARG QB 4.87
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.56, r4= 7.06,
igr1= 588, 589, 590,
igr2= 598, 599,
&end
#
# 40 ARG QB 59 PHE HA 4.25
&rst
ixpk= 0, nxpk= 0, iat= -1, 875, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,
igr1= 598, 599,
&end
#
# 77 GLN HA 77 GLN HG2 4.19
&rst
ixpk= 0, nxpk= 0, iat=1139,1144, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69, &end
#
# 76 MET HA 77 GLN HG2 5.17
&rst
ixpk= 0, nxpk= 0, iat=1122,1144, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67, &end
#
# 99 GLN QG 99 GLN HNE1 3.17
&rst
ixpk= 0, nxpk= 0, iat= -1,1475, r1= 1.30, r2= 1.80, r3= 3.56, r4= 4.06,
igr1=1470,1471,
&end
#
# 99 GLN HB2 99 GLN QG 2.40
&rst
ixpk= 0, nxpk= 0, iat=1467, -1, r1= 1.30, r2= 1.80, r3= 2.69, r4= 3.19,
igr2=1470,1471,
&end
#
# 100 VAL HA 101 MET HB2 5.50
&rst
ixpk= 0, nxpk= 0, iat=1482,1500, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 101 MET HN 101 MET HB2 3.82
&rst
ixpk= 0, nxpk= 0, iat=1496,1500, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32, &end
#
# 101 MET HB3 101 MET HG2 2.75
&rst
ixpk= 0, nxpk= 0, iat=1501,1503, r1= 1.30, r2= 1.80, r3= 2.75, r4= 3.25, &end
#
# 7 VAL HB 98 SER QB 3.50
&rst
ixpk= 0, nxpk= 0, iat= 87, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1456,1457,
&end
#
# 39 VAL HN 39 VAL HB 4.16
&rst
ixpk= 0, nxpk= 0, iat= 578, 582, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66, &end
#
# 69 MET QG 85 LEU QD2 5.47
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.37, r4= 7.87,
igr1=1017,1018,
igr2=1302,1303,1304,
&end
#
# 101 MET HN 101 MET HG2 5.38
&rst
ixpk= 0, nxpk= 0, iat=1496,1503, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88, &end
#
# 76 MET HG3 77 GLN HNE1 5.50
&rst
ixpk= 0, nxpk= 0, iat=1128,1149, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 66 VAL HB 67 ALA HN 4.23
&rst
ixpk= 0, nxpk= 0, iat= 978, 990, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73, &end
#
# 38 PRO HB2 41 VAL QG2 5.21
&rst
ixpk= 0, nxpk= 0, iat= 571, -1, r1= 1.30, r2= 1.80, r3= 6.26, r4= 6.76,
igr2= 628, 629, 630,
&end
#
# 38 PRO HB3 41 VAL QG2 5.15
&rst
ixpk= 0, nxpk= 0, iat= 572, -1, r1= 1.30, r2= 1.80, r3= 6.18, r4= 6.68,
igr2= 628, 629, 630,
&end
#
# 76 MET HG2 77 GLN HN 4.96
&rst
ixpk= 0, nxpk= 0, iat=1127,1137, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46, &end
#
# 76 MET HG2 81 ILE QD1 5.46
&rst
ixpk= 0, nxpk= 0, iat=1127, -1, r1= 1.30, r2= 1.80, r3= 6.56, r4= 7.06,
igr2=1229,1230,1231,
&end
#
# 16 HIS QB 83 LEU HA 4.95
&rst
ixpk= 0, nxpk= 0, iat= -1,1252, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
igr1= 210, 211,
&end
#
# 17 MET HG3 81 ILE QG2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 231, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1222,1223,1224,
&end
#
# 17 MET HN 17 MET HG3 5.17
&rst
ixpk= 0, nxpk= 0, iat= 223, 231, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67, &end
#
# 78 HIS HB3 78 HIS HD2 3.31
&rst
ixpk= 0, nxpk= 0, iat=1159,1167, r1= 1.30, r2= 1.80, r3= 3.31, r4= 3.81, &end
#
# 44 GLU HB3 45 ILE HN 3.90
&rst
ixpk= 0, nxpk= 0, iat= 675, 685, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40, &end
#
# 44 GLU HB2 45 ILE HN 4.59
&rst
ixpk= 0, nxpk= 0, iat= 674, 685, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09, &end
#
# 8 GLN HN 8 GLN HB3 3.69
&rst
ixpk= 0, nxpk= 0, iat= 99, 104, r1= 1.30, r2= 1.80, r3= 3.69, r4= 4.19, &end
#
# 99 GLN HB2 99 GLN HNE1 4.88
&rst
ixpk= 0, nxpk= 0, iat=1467,1475, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38, &end
#
# 99 GLN HB2 99 GLN HNE2 5.01
&rst
ixpk= 0, nxpk= 0, iat=1467,1476, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51, &end
#
# 99 GLN HB2 100 VAL QG1 5.50
&rst
ixpk= 0, nxpk= 0, iat=1467, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1486,1487,1488,
&end
#
# 8 GLN HN 8 GLN HB2 3.73
&rst
ixpk= 0, nxpk= 0, iat= 99, 103, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23, &end
#
# 99 GLN HB3 99 GLN HNE1 4.95
&rst
ixpk= 0, nxpk= 0, iat=1468,1475, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45, &end
#
# 99 GLN HB3 99 GLN HNE2 4.98
&rst
ixpk= 0, nxpk= 0, iat=1468,1476, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48, &end
#
# 99 GLN HA 99 GLN HB3 2.83
&rst
ixpk= 0, nxpk= 0, iat=1465,1468, r1= 1.30, r2= 1.80, r3= 2.83, r4= 3.33, &end
#
# 99 GLN HB3 99 GLN QG 2.66
&rst
ixpk= 0, nxpk= 0, iat=1468, -1, r1= 1.30, r2= 1.80, r3= 2.99, r4= 3.49,
igr2=1470,1471,
&end
#
# 73 ARG HN 73 ARG HG2 5.12
&rst
ixpk= 0, nxpk= 0, iat=1072,1079, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62, &end
#
# 26 GLU HN 26 GLU HB2 4.00
&rst
ixpk= 0, nxpk= 0, iat= 371, 375, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 25 THR HB 26 GLU HB2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 361, 375, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 26 GLU HB3 30 TYR HE 5.40
&rst
ixpk= 0, nxpk= 0, iat= 376, -1, r1= 1.30, r2= 1.80, r3= 6.06, r4= 6.56,
igr2= 441, 446,
&end
#
# 26 GLU HN 26 GLU HB3 4.20
&rst
ixpk= 0, nxpk= 0, iat= 371, 376, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 73 ARG HG2 80 TYR HD 5.50
&rst
ixpk= 0, nxpk= 0, iat=1079, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1203,1212,
&end
#
# 73 ARG HN 73 ARG HG3 5.50
&rst
ixpk= 0, nxpk= 0, iat=1072,1080, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 73 ARG HG3 80 TYR HD 5.50
&rst
ixpk= 0, nxpk= 0, iat=1080, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1203,1212,
&end
#
# 43 ILE HG13 55 ALA HA 5.09
&rst
ixpk= 0, nxpk= 0, iat= 662, 822, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59, &end
#
# 25 THR QG2 26 GLU HB2 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 375, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 363, 364, 365,
&end
#
# 26 GLU HB3 30 TYR HD 5.43
&rst
ixpk= 0, nxpk= 0, iat= 376, -1, r1= 1.30, r2= 1.80, r3= 6.09, r4= 6.59,
igr2= 439, 448,
&end
#
# 20 LEU HG 81 ILE QD1 5.33
&rst
ixpk= 0, nxpk= 0, iat= 278, -1, r1= 1.30, r2= 1.80, r3= 6.40, r4= 6.90,
igr2=1229,1230,1231,
&end
#
# 83 LEU HN 83 LEU QD1 5.12
&rst
ixpk= 0, nxpk= 0, iat=1250, -1, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65,
igr2=1259,1260,1261,
&end
#
# 69 MET HA 83 LEU QD1 4.48
&rst
ixpk= 0, nxpk= 0, iat=1012, -1, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88,
igr2=1259,1260,1261,
&end
#
# 32 PHE HE 83 LEU QD1 4.67
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1= 476, 480,
igr2=1259,1260,1261,
&end
#
# 83 LEU HA 83 LEU QD1 5.50
&rst
ixpk= 0, nxpk= 0, iat=1252, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1259,1260,1261,
&end
#
# 83 LEU HB3 83 LEU QD1 3.86
&rst
ixpk= 0, nxpk= 0, iat=1255, -1, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,
igr2=1259,1260,1261,
&end
#
# 68 ALA QB 69 MET HB2 5.39
&rst
ixpk= 0, nxpk= 0, iat= -1,1014, r1= 1.30, r2= 1.80, r3= 6.47, r4= 6.97,
igr1=1004,1005,1006,
&end
#
# 69 MET HB2 69 MET QE 5.04
&rst
ixpk= 0, nxpk= 0, iat=1014, -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
igr2=1021,1022,1023,
&end
#
# 71 LYS HG3 71 LYS HE2 4.00
&rst
ixpk= 0, nxpk= 0, iat=1046,1051, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 71 LYS HG3 71 LYS HE3 4.16
&rst
ixpk= 0, nxpk= 0, iat=1046,1052, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66, &end
#
# 40 ARG HG2 41 VAL HN 4.93
&rst
ixpk= 0, nxpk= 0, iat= 601, 618, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43, &end
#
# 30 TYR HB2 40 ARG HG2 3.70
&rst
ixpk= 0, nxpk= 0, iat= 435, 601, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20, &end
#
# 40 ARG HG3 41 VAL HN 4.60
&rst
ixpk= 0, nxpk= 0, iat= 602, 618, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, &end
#
# 30 TYR HB2 40 ARG HG3 3.83
&rst
ixpk= 0, nxpk= 0, iat= 435, 602, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33, &end
#
# 71 LYS HG2 71 LYS HE3 4.12
&rst
ixpk= 0, nxpk= 0, iat=1045,1052, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62, &end
#
# 85 LEU HN 85 LEU QD1 4.92
&rst
ixpk= 0, nxpk= 0, iat=1289, -1, r1= 1.30, r2= 1.80, r3= 5.91, r4= 6.41,
igr2=1298,1299,1300,
&end
#
# 66 VAL HA 85 LEU QD1 4.77
&rst
ixpk= 0, nxpk= 0, iat= 976, -1, r1= 1.30, r2= 1.80, r3= 5.73, r4= 6.23,
igr2=1298,1299,1300,
&end
#
# 77 GLN HB3 78 HIS HB3 4.59
&rst
ixpk= 0, nxpk= 0, iat=1142,1159, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09, &end
#
# 45 ILE HA 45 ILE HG12 3.89
&rst
ixpk= 0, nxpk= 0, iat= 687, 695, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39, &end
#
# 45 ILE HN 45 ILE HG13 4.37
&rst
ixpk= 0, nxpk= 0, iat= 685, 696, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87, &end
#
# 85 LEU HB2 85 LEU QD1 3.88
&rst
ixpk= 0, nxpk= 0, iat=1293, -1, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,
igr2=1298,1299,1300,
&end
#
# 37 ASN HA 38 PRO HG2 4.76
&rst
ixpk= 0, nxpk= 0, iat= 552, 568, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26, &end
#
# 33 PHE HE 83 LEU QD2 4.68
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.31, r4= 6.81,
igr1= 496, 500,
igr2=1263,1264,1265,
&end
#
# 83 LEU HN 83 LEU QD2 5.50
&rst
ixpk= 0, nxpk= 0, iat=1250, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1263,1264,1265,
&end
#
# 83 LEU HA 83 LEU QD2 4.07
&rst
ixpk= 0, nxpk= 0, iat=1252, -1, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39,
igr2=1263,1264,1265,
&end
#
# 36 LEU QD2 37 ASN HN 4.55
&rst
ixpk= 0, nxpk= 0, iat= -1, 550, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96,
igr1= 544, 545, 546,
&end
#
# 36 LEU QD2 68 ALA HA 3.52
&rst
ixpk= 0, nxpk= 0, iat= -1,1002, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73,
igr1= 544, 545, 546,
&end
#
# 36 LEU QD2 59 PHE HA 5.38
&rst
ixpk= 0, nxpk= 0, iat= -1, 875, r1= 1.30, r2= 1.80, r3= 6.46, r4= 6.96,
igr1= 544, 545, 546,
&end
#
# 34 SER HB3 36 LEU QD2 5.03
&rst
ixpk= 0, nxpk= 0, iat= 511, -1, r1= 1.30, r2= 1.80, r3= 6.04, r4= 6.54,
igr2= 544, 545, 546,
&end
#
# 33 PHE HB3 36 LEU QD2 4.40
&rst
ixpk= 0, nxpk= 0, iat= 491, -1, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
igr2= 544, 545, 546,
&end
#
# 20 LEU HN 20 LEU QD2 4.40
&rst
ixpk= 0, nxpk= 0, iat= 271, -1, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
igr2= 284, 285, 286,
&end
#
# 20 LEU QD2 81 ILE QD1 3.88
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,
igr1= 284, 285, 286,
igr2=1229,1230,1231,
&end
#
# 35 PRO HG2 36 LEU HN 5.15
&rst
ixpk= 0, nxpk= 0, iat= 521, 531, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65, &end
#
# 35 PRO HG2 36 LEU QD2 5.44
&rst
ixpk= 0, nxpk= 0, iat= 521, -1, r1= 1.30, r2= 1.80, r3= 6.53, r4= 7.03,
igr2= 544, 545, 546,
&end
#
# 43 ILE HA 55 ALA QB 3.93
&rst
ixpk= 0, nxpk= 0, iat= 653, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2= 824, 825, 826,
&end
#
# 15 VAL QG1 86 ASN HN 4.48
&rst
ixpk= 0, nxpk= 0, iat= -1,1308, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88,
igr1= 196, 197, 198,
&end
#
# 15 VAL QG1 84 PHE HN 4.27
&rst
ixpk= 0, nxpk= 0, iat= -1,1269, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63,
igr1= 196, 197, 198,
&end
#
# 15 VAL QG1 33 PHE HE 5.28
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.12, r4= 7.62,
igr1= 196, 197, 198,
igr2= 496, 500,
&end
#
# 15 VAL QG1 16 HIS HA 4.21
&rst
ixpk= 0, nxpk= 0, iat= -1, 208, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,
igr1= 196, 197, 198,
&end
#
# 15 VAL HA 15 VAL QG1 3.95
&rst
ixpk= 0, nxpk= 0, iat= 192, -1, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,
igr2= 196, 197, 198,
&end
#
# 36 LEU QD1 64 GLU HA 3.71
&rst
ixpk= 0, nxpk= 0, iat= -1, 951, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96,
igr1= 540, 541, 542,
&end
#
# 57 VAL HN 57 VAL QG2 4.63
&rst
ixpk= 0, nxpk= 0, iat= 842, -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
igr2= 852, 853, 854,
&end
#
# 57 VAL QG2 58 GLU HN 4.29
&rst
ixpk= 0, nxpk= 0, iat= -1, 858, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,
igr1= 852, 853, 854,
&end
#
# 66 VAL HN 66 VAL QG1 3.41
&rst
ixpk= 0, nxpk= 0, iat= 974, -1, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,
igr2= 980, 981, 982,
&end
#
# 66 VAL HA 66 VAL QG1 3.47
&rst
ixpk= 0, nxpk= 0, iat= 976, -1, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67,
igr2= 980, 981, 982,
&end
#
# 62 HIS QB 66 VAL QG1 4.64
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.25, r4= 6.75,
igr1= 921, 922,
igr2= 980, 981, 982,
&end
#
# 15 VAL QG2 33 PHE HE 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 200, 201, 202,
igr2= 496, 500,
&end
#
# 15 VAL QG2 59 PHE HZ 5.35
&rst
ixpk= 0, nxpk= 0, iat= -1, 885, r1= 1.30, r2= 1.80, r3= 6.43, r4= 6.93,
igr1= 200, 201, 202,
&end
#
# 15 VAL QG2 86 ASN HN 4.71
&rst
ixpk= 0, nxpk= 0, iat= -1,1308, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
igr1= 200, 201, 202,
&end
#
# 15 VAL QG2 65 ALA HA 4.15
&rst
ixpk= 0, nxpk= 0, iat= -1, 966, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48,
igr1= 200, 201, 202,
&end
#
# 36 LEU HN 36 LEU QD1 3.65
&rst
ixpk= 0, nxpk= 0, iat= 531, -1, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,
igr2= 540, 541, 542,
&end
#
# 33 PHE HD 57 VAL QG1 5.01
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.75, r4= 7.25,
igr1= 494, 502,
igr2= 848, 849, 850,
&end
#
# 57 VAL QG2 59 PHE HZ 4.42
&rst
ixpk= 0, nxpk= 0, iat= -1, 885, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,
igr1= 852, 853, 854,
&end
#
# 57 VAL HN 57 VAL QG1 3.82
&rst
ixpk= 0, nxpk= 0, iat= 842, -1, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09,
igr2= 848, 849, 850,
&end
#
# 33 PHE HE 57 VAL QG1 4.19
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.65, r4= 6.15,
igr1= 496, 500,
igr2= 848, 849, 850,
&end
#
# 42 HIS QB 57 VAL QG1 5.39
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
igr1= 638, 639,
igr2= 848, 849, 850,
&end
#
# 29 ILE HN 41 VAL QG1 4.56
&rst
ixpk= 0, nxpk= 0, iat= 412, -1, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98,
igr2= 624, 625, 626,
&end
#
# 26 GLU HG3 41 VAL QG1 4.28
&rst
ixpk= 0, nxpk= 0, iat= 379, -1, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
igr2= 624, 625, 626,
&end
#
# 41 VAL QG1 42 HIS QB 5.28
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.12, r4= 7.62,
igr1= 624, 625, 626,
igr2= 638, 639,
&end
#
# 25 THR QG2 27 ASN HND1 4.53
&rst
ixpk= 0, nxpk= 0, iat= -1, 395, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94,
igr1= 363, 364, 365,
&end
#
# 61 THR QG2 63 GLU HN 4.35
&rst
ixpk= 0, nxpk= 0, iat= -1, 934, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
igr1= 909, 910, 911,
&end
#
# 88 THR HA 88 THR QG2 2.84
&rst
ixpk= 0, nxpk= 0, iat=1335, -1, r1= 1.30, r2= 1.80, r3= 3.41, r4= 3.91,
igr2=1339,1340,1341,
&end
#
# 88 THR QG2 90 GLY HA3 4.02
&rst
ixpk= 0, nxpk= 0, iat= -1,1364, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
igr1=1339,1340,1341,
&end
#
# 51 VAL HN 51 VAL QG1 5.05
&rst
ixpk= 0, nxpk= 0, iat= 768, -1, r1= 1.30, r2= 1.80, r3= 6.06, r4= 6.56,
igr2= 774, 775, 776,
&end
#
# 39 VAL HN 39 VAL QG1 4.02
&rst
ixpk= 0, nxpk= 0, iat= 578, -1, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
igr2= 584, 585, 586,
&end
#
# 39 VAL QG1 60 ALA QB 3.51
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,
igr1= 584, 585, 586,
igr2= 897, 898, 899,
&end
#
# 61 THR QG2 64 GLU HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 949, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 909, 910, 911,
&end
#
# 88 THR QG2 89 THR QG2 3.62
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
igr1=1339,1340,1341,
igr2=1353,1354,1355,
&end
#
# 39 VAL QG1 40 ARG HN 4.45
&rst
ixpk= 0, nxpk= 0, iat= -1, 594, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
igr1= 584, 585, 586,
&end
#
# 41 VAL QG2 42 HIS QB 4.93
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.65, r4= 7.15,
igr1= 628, 629, 630,
igr2= 638, 639,
&end
#
# 89 THR HA 89 THR QG2 3.09
&rst
ixpk= 0, nxpk= 0, iat=1349, -1, r1= 1.30, r2= 1.80, r3= 3.71, r4= 4.21,
igr2=1353,1354,1355,
&end
#
# 7 VAL QG2 96 TYR HE 5.37
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.24, r4= 7.74,
igr1= 93, 94, 95,
igr2=1430,1435,
&end
#
# 66 VAL HN 66 VAL QG2 3.60
&rst
ixpk= 0, nxpk= 0, iat= 974, -1, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82,
igr2= 984, 985, 986,
&end
#
# 26 GLU HA 41 VAL QG2 5.13
&rst
ixpk= 0, nxpk= 0, iat= 373, -1, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66,
igr2= 628, 629, 630,
&end
#
# 26 GLU HG3 41 VAL QG2 4.98
&rst
ixpk= 0, nxpk= 0, iat= 379, -1, r1= 1.30, r2= 1.80, r3= 5.98, r4= 6.48,
igr2= 628, 629, 630,
&end
#
# 62 HIS HE1 89 THR QG2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 927, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1353,1354,1355,
&end
#
# 62 HIS HD2 89 THR QG2 3.96
&rst
ixpk= 0, nxpk= 0, iat= 930, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr2=1353,1354,1355,
&end
#
# 100 VAL HA 100 VAL QG2 2.92
&rst
ixpk= 0, nxpk= 0, iat=1482, -1, r1= 1.30, r2= 1.80, r3= 3.51, r4= 4.01,
igr2=1490,1491,1492,
&end
#
# 99 GLN QG 100 VAL QG1 5.21
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.02, r4= 7.52,
igr1=1470,1471,
igr2=1486,1487,1488,
&end
#
# 7 VAL QG2 98 SER HA 3.06
&rst
ixpk= 0, nxpk= 0, iat= -1,1454, r1= 1.30, r2= 1.80, r3= 3.67, r4= 4.17,
igr1= 93, 94, 95,
&end
#
# 7 VAL QG2 98 SER QB 3.46
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,
igr1= 93, 94, 95,
igr2=1456,1457,
&end
#
# 7 VAL QG2 96 TYR HB2 5.42
&rst
ixpk= 0, nxpk= 0, iat= -1,1424, r1= 1.30, r2= 1.80, r3= 6.51, r4= 7.01,
igr1= 93, 94, 95,
&end
#
# 62 HIS QB 66 VAL QG2 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 921, 922,
igr2= 984, 985, 986,
&end
#
# 39 VAL QG2 59 PHE HN 5.49
&rst
ixpk= 0, nxpk= 0, iat= -1, 873, r1= 1.30, r2= 1.80, r3= 6.59, r4= 7.09,
igr1= 588, 589, 590,
&end
#
# 39 VAL HN 39 VAL QG2 3.71
&rst
ixpk= 0, nxpk= 0, iat= 578, -1, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96,
igr2= 588, 589, 590,
&end
#
# 39 VAL HA 39 VAL QG2 3.66
&rst
ixpk= 0, nxpk= 0, iat= 580, -1, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,
igr2= 588, 589, 590,
&end
#
# 39 VAL QG2 59 PHE HB3 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 878, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 588, 589, 590,
&end
#
# 39 VAL QG2 60 ALA QB 3.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 588, 589, 590,
igr2= 897, 898, 899,
&end
#
# 39 VAL QG2 59 PHE HA 3.71
&rst
ixpk= 0, nxpk= 0, iat= -1, 875, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96,
igr1= 588, 589, 590,
&end
#
# 24 ALA QB 28 ASP HB3 5.20
&rst
ixpk= 0, nxpk= 0, iat= -1, 405, r1= 1.30, r2= 1.80, r3= 6.24, r4= 6.74,
igr1= 351, 352, 353,
&end
#
# 24 ALA QB 28 ASP HB2 4.70
&rst
ixpk= 0, nxpk= 0, iat= -1, 404, r1= 1.30, r2= 1.80, r3= 5.64, r4= 6.14,
igr1= 351, 352, 353,
&end
#
# 59 PHE HB3 60 ALA QB 4.79
&rst
ixpk= 0, nxpk= 0, iat= 878, -1, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25,
igr2= 897, 898, 899,
&end
#
# 59 PHE HA 60 ALA QB 3.98
&rst
ixpk= 0, nxpk= 0, iat= 875, -1, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28,
igr2= 897, 898, 899,
&end
#
# 39 VAL HB 60 ALA QB 4.72
&rst
ixpk= 0, nxpk= 0, iat= 582, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr2= 897, 898, 899,
&end
#
# 71 LYS HE3 74 ALA QB 4.46
&rst
ixpk= 0, nxpk= 0, iat=1052, -1, r1= 1.30, r2= 1.80, r3= 5.36, r4= 5.86,
igr2=1100,1101,1102,
&end
#
# 71 LYS HG3 74 ALA QB 4.01
&rst
ixpk= 0, nxpk= 0, iat=1046, -1, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32,
igr2=1100,1101,1102,
&end
#
# 91 ALA HN 91 ALA QB 3.68
&rst
ixpk= 0, nxpk= 0, iat=1368, -1, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92,
igr2=1372,1373,1374,
&end
#
# 95 ALA QB 96 TYR HE 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1414,1415,1416,
igr2=1430,1435,
&end
#
# 95 ALA QB 96 TYR HB2 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1424, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1414,1415,1416,
&end
#
# 17 MET HA 17 MET QE 5.33
&rst
ixpk= 0, nxpk= 0, iat= 225, -1, r1= 1.30, r2= 1.80, r3= 6.40, r4= 6.90,
igr2= 234, 235, 236,
&end
#
# 17 MET QE 32 PHE HZ 4.34
&rst
ixpk= 0, nxpk= 0, iat= -1, 478, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71,
igr1= 234, 235, 236,
&end
#
# 17 MET QE 32 PHE HE 4.44
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr1= 234, 235, 236,
igr2= 476, 480,
&end
#
# 17 MET QE 32 PHE QB 5.11
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.89, r4= 7.39,
igr1= 234, 235, 236,
igr2= 470, 471,
&end
#
# 36 LEU HB2 68 ALA QB 5.45
&rst
ixpk= 0, nxpk= 0, iat= 535, -1, r1= 1.30, r2= 1.80, r3= 6.55, r4= 7.05,
igr2=1004,1005,1006,
&end
#
# 36 LEU HG 68 ALA QB 5.28
&rst
ixpk= 0, nxpk= 0, iat= 538, -1, r1= 1.30, r2= 1.80, r3= 6.34, r4= 6.84,
igr2=1004,1005,1006,
&end
#
# 26 GLU HA 29 ILE QG2 4.64
&rst
ixpk= 0, nxpk= 0, iat= 373, -1, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07,
igr2= 418, 419, 420,
&end
#
# 18 ARG HN 81 ILE QG2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 240, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1222,1223,1224,
&end
#
# 33 PHE HE 81 ILE QG2 5.46
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.36, r4= 7.86,
igr1= 496, 500,
igr2=1222,1223,1224,
&end
#
# 17 MET HB2 81 ILE QG2 4.75
&rst
ixpk= 0, nxpk= 0, iat= 227, -1, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,
igr2=1222,1223,1224,
&end
#
# 81 ILE QG2 82 GLU HN 4.73
&rst
ixpk= 0, nxpk= 0, iat= -1,1235, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18,
igr1=1222,1223,1224,
&end
#
# 43 ILE QG2 55 ALA HA 5.07
&rst
ixpk= 0, nxpk= 0, iat= -1, 822, r1= 1.30, r2= 1.80, r3= 6.09, r4= 6.59,
igr1= 657, 658, 659,
&end
#
# 43 ILE HA 43 ILE QG2 4.21
&rst
ixpk= 0, nxpk= 0, iat= 653, -1, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,
igr2= 657, 658, 659,
&end
#
# 65 ALA QB 85 LEU HA 5.36
&rst
ixpk= 0, nxpk= 0, iat= -1,1291, r1= 1.30, r2= 1.80, r3= 6.44, r4= 6.94,
igr1= 968, 969, 970,
&end
#
# 45 ILE QG2 46 GLY HN 3.77
&rst
ixpk= 0, nxpk= 0, iat= -1, 704, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
igr1= 691, 692, 693,
&end
#
# 63 GLU HN 65 ALA QB 5.50
&rst
ixpk= 0, nxpk= 0, iat= 934, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 968, 969, 970,
&end
#
# 32 PHE HE 76 MET QE 4.86
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.55, r4= 7.05,
igr1= 476, 480,
igr2=1131,1132,1133,
&end
#
# 32 PHE HN 76 MET QE 4.38
&rst
ixpk= 0, nxpk= 0, iat= 466, -1, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76,
igr2=1131,1132,1133,
&end
#
# 31 ASN HN 76 MET QE 5.37
&rst
ixpk= 0, nxpk= 0, iat= 452, -1, r1= 1.30, r2= 1.80, r3= 6.45, r4= 6.95,
igr2=1131,1132,1133,
&end
#
# 28 ASP HA 76 MET QE 4.89
&rst
ixpk= 0, nxpk= 0, iat= 402, -1, r1= 1.30, r2= 1.80, r3= 5.87, r4= 6.37,
igr2=1131,1132,1133,
&end
#
# 28 ASP HB3 76 MET QE 4.21
&rst
ixpk= 0, nxpk= 0, iat= 405, -1, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,
igr2=1131,1132,1133,
&end
#
# 76 MET HG2 76 MET QE 4.19
&rst
ixpk= 0, nxpk= 0, iat=1127, -1, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,
igr2=1131,1132,1133,
&end
#
# 29 ILE QG2 76 MET QE 4.55
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.56, r4= 7.06,
igr1= 418, 419, 420,
igr2=1131,1132,1133,
&end
#
# 69 MET QE 85 LEU HN 3.84
&rst
ixpk= 0, nxpk= 0, iat= -1,1289, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,
igr1=1021,1022,1023,
&end
#
# 69 MET QE 83 LEU QD2 3.51
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,
igr1=1021,1022,1023,
igr2=1263,1264,1265,
&end
#
# 29 ILE HB 29 ILE QD1 4.07
&rst
ixpk= 0, nxpk= 0, iat= 416, -1, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39,
igr2= 425, 426, 427,
&end
#
# 17 MET QE 29 ILE QD1 4.05
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
igr1= 234, 235, 236,
igr2= 425, 426, 427,
&end
#
# 26 GLU HN 43 ILE QD1 4.51
&rst
ixpk= 0, nxpk= 0, iat= 371, -1, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,
igr2= 664, 665, 666,
&end
#
# 43 ILE 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= 664, 665, 666,
&end
#
# 42 HIS HA 43 ILE QD1 5.13
&rst
ixpk= 0, nxpk= 0, iat= 636, -1, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66,
igr2= 664, 665, 666,
&end
#
# 43 ILE HB 43 ILE QD1 3.73
&rst
ixpk= 0, nxpk= 0, iat= 655, -1, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98,
igr2= 664, 665, 666,
&end
#
# 43 ILE QD1 55 ALA QB 4.65
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.71, r4= 7.21,
igr1= 664, 665, 666,
igr2= 824, 825, 826,
&end
#
# 43 ILE QG2 43 ILE QD1 3.58
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
igr1= 657, 658, 659,
igr2= 664, 665, 666,
&end
#
# 45 ILE QD1 49 GLY HA3 4.60
&rst
ixpk= 0, nxpk= 0, iat= -1, 740, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02,
igr1= 698, 699, 700,
&end
#
# 19 GLY HN 81 ILE QD1 5.46
&rst
ixpk= 0, nxpk= 0, iat= 264, -1, r1= 1.30, r2= 1.80, r3= 6.56, r4= 7.06,
igr2=1229,1230,1231,
&end
#
# 32 PHE HE 81 ILE QD1 5.17
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.97, r4= 7.47,
igr1= 476, 480,
igr2=1229,1230,1231,
&end
#
# 81 ILE QG2 81 ILE QD1 3.75
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.41, r4= 5.91,
igr1=1222,1223,1224,
igr2=1229,1230,1231,
&end
#
# 16 HIS HN 86 ASN HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= 206,1308, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 85 LEU HG 86 ASN HN 4.61
&rst
ixpk= 0, nxpk= 0, iat=1296,1308, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11, &end
#
# 42 HIS QB 43 ILE HN 4.63
&rst
ixpk= 0, nxpk= 0, iat= -1, 651, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,
igr1= 638, 639,
&end
#
# 44 GLU HN 55 ALA HA 4.27
&rst
ixpk= 0, nxpk= 0, iat= 670, 822, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77, &end
#
# 44 GLU HN 44 GLU HB2 3.85
&rst
ixpk= 0, nxpk= 0, iat= 670, 674, r1= 1.30, r2= 1.80, r3= 3.85, r4= 4.35, &end
#
# 43 ILE QG2 44 GLU HN 4.45
&rst
ixpk= 0, nxpk= 0, iat= -1, 670, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
igr1= 657, 658, 659,
&end
#
# 43 ILE HN 44 GLU HN 5.13
&rst
ixpk= 0, nxpk= 0, iat= 651, 670, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63, &end
#
# 35 PRO HD2 36 LEU HN 4.74
&rst
ixpk= 0, nxpk= 0, iat= 518, 531, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24, &end
#
# 36 LEU HN 36 LEU HB2 3.59
&rst
ixpk= 0, nxpk= 0, iat= 531, 535, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09, &end
#
# 36 LEU HN 36 LEU HG 3.43
&rst
ixpk= 0, nxpk= 0, iat= 531, 538, r1= 1.30, r2= 1.80, r3= 3.43, r4= 3.93, &end
#
# 36 LEU HN 36 LEU QD2 3.52
&rst
ixpk= 0, nxpk= 0, iat= 531, -1, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73,
igr2= 544, 545, 546,
&end
#
# 33 PHE HB3 36 LEU HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= 491, 531, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 85 LEU HN 85 LEU HB2 4.15
&rst
ixpk= 0, nxpk= 0, iat=1289,1293, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65, &end
#
# 85 LEU HN 85 LEU HB3 3.66
&rst
ixpk= 0, nxpk= 0, iat=1289,1294, r1= 1.30, r2= 1.80, r3= 3.66, r4= 4.16, &end
#
# 45 ILE HN 46 GLY HN 5.01
&rst
ixpk= 0, nxpk= 0, iat= 685, 704, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51, &end
#
# 44 GLU HN 45 ILE HN 5.48
&rst
ixpk= 0, nxpk= 0, iat= 670, 685, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98, &end
#
# 44 GLU HA 45 ILE HN 3.47
&rst
ixpk= 0, nxpk= 0, iat= 672, 685, r1= 1.30, r2= 1.80, r3= 3.47, r4= 3.97, &end
#
# 45 ILE HN 45 ILE HB 3.86
&rst
ixpk= 0, nxpk= 0, iat= 685, 689, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36, &end
#
# 45 ILE HN 45 ILE HG12 4.62
&rst
ixpk= 0, nxpk= 0, iat= 685, 695, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12, &end
#
# 16 HIS HN 16 HIS HE1 5.50
&rst
ixpk= 0, nxpk= 0, iat= 206, 216, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 15 VAL HB 16 HIS HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= 194, 206, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 17 MET HA 82 GLU HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= 225,1235, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 41 VAL HA 42 HIS HN 3.27
&rst
ixpk= 0, nxpk= 0, iat= 620, 634, r1= 1.30, r2= 1.80, r3= 3.27, r4= 3.77, &end
#
# 42 HIS HN 42 HIS QB 3.55
&rst
ixpk= 0, nxpk= 0, iat= 634, -1, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48,
igr2= 638, 639,
&end
#
# 41 VAL QG1 42 HIS HN 3.98
&rst
ixpk= 0, nxpk= 0, iat= -1, 634, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28,
igr1= 624, 625, 626,
&end
#
# 42 HIS HN 42 HIS HD2 4.82
&rst
ixpk= 0, nxpk= 0, iat= 634, 647, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32, &end
#
# 73 ARG HA 81 ILE HN 5.50
&rst
ixpk= 0, nxpk= 0, iat=1074,1216, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 40 ARG HN 58 GLU HN 5.20
&rst
ixpk= 0, nxpk= 0, iat= 594, 858, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70, &end
#
# 42 HIS QB 58 GLU HN 5.41
&rst
ixpk= 0, nxpk= 0, iat= -1, 858, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 638, 639,
&end
#
# 57 VAL QG1 58 GLU HN 4.80
&rst
ixpk= 0, nxpk= 0, iat= -1, 858, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26,
igr1= 848, 849, 850,
&end
#
# 7 VAL HA 8 GLN HN 3.08
&rst
ixpk= 0, nxpk= 0, iat= 85, 99, r1= 1.30, r2= 1.80, r3= 3.08, r4= 3.58, &end
#
# 8 GLN HN 8 GLN QG 3.94
&rst
ixpk= 0, nxpk= 0, iat= 99, -1, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92,
igr2= 106, 107,
&end
#
# 65 ALA HN 67 ALA HN 5.34
&rst
ixpk= 0, nxpk= 0, iat= 964, 990, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84, &end
#
# 67 ALA HN 68 ALA QB 4.48
&rst
ixpk= 0, nxpk= 0, iat= 990, -1, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88,
igr2=1004,1005,1006,
&end
#
# 66 VAL QG2 67 ALA HN 3.61
&rst
ixpk= 0, nxpk= 0, iat= -1, 990, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84,
igr1= 984, 985, 986,
&end
#
# 66 VAL QG1 67 ALA HN 4.08
&rst
ixpk= 0, nxpk= 0, iat= -1, 990, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,
igr1= 980, 981, 982,
&end
#
# 101 MET HN 101 MET HB3 3.18
&rst
ixpk= 0, nxpk= 0, iat=1496,1501, r1= 1.30, r2= 1.80, r3= 3.18, r4= 3.68, &end
#
# 67 ALA QB 68 ALA HN 3.68
&rst
ixpk= 0, nxpk= 0, iat= -1,1000, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92,
igr1= 994, 995, 996,
&end
#
# 68 ALA HN 68 ALA QB 3.34
&rst
ixpk= 0, nxpk= 0, iat=1000, -1, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51,
igr2=1004,1005,1006,
&end
#
# 36 LEU QD2 68 ALA HN 3.75
&rst
ixpk= 0, nxpk= 0, iat= -1,1000, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,
igr1= 544, 545, 546,
&end
#
# 66 VAL QG1 68 ALA HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1000, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 980, 981, 982,
&end
#
# 59 PHE HB2 60 ALA HN 4.43
&rst
ixpk= 0, nxpk= 0, iat= 877, 893, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93, &end
#
# 59 PHE HB3 60 ALA HN 4.83
&rst
ixpk= 0, nxpk= 0, iat= 878, 893, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33, &end
#
# 15 VAL QG1 17 MET HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 223, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 196, 197, 198,
&end
#
# 16 HIS QB 17 MET HN 4.92
&rst
ixpk= 0, nxpk= 0, iat= -1, 223, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02,
igr1= 210, 211,
&end
#
# 17 MET HN 17 MET HG2 5.41
&rst
ixpk= 0, nxpk= 0, iat= 223, 230, r1= 1.30, r2= 1.80, r3= 5.41, r4= 5.91, &end
#
# 24 ALA HN 24 ALA QB 3.55
&rst
ixpk= 0, nxpk= 0, iat= 347, -1, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76,
igr2= 351, 352, 353,
&end
#
# 40 ARG HN 41 VAL HN 4.79
&rst
ixpk= 0, nxpk= 0, iat= 594, 618, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29, &end
#
# 20 LEU QD2 24 ALA HN 4.85
&rst
ixpk= 0, nxpk= 0, iat= -1, 347, r1= 1.30, r2= 1.80, r3= 5.82, r4= 6.32,
igr1= 284, 285, 286,
&end
#
# 4 GLU HN 4 GLU QB 3.15
&rst
ixpk= 0, nxpk= 0, iat= 34, -1, r1= 1.30, r2= 1.80, r3= 3.54, r4= 4.04,
igr2= 38, 39,
&end
#
# 14 CYS HN 65 ALA QB 5.50
&rst
ixpk= 0, nxpk= 0, iat= 179, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 968, 969, 970,
&end
#
# 29 ILE HN 30 TYR HN 3.99
&rst
ixpk= 0, nxpk= 0, iat= 412, 431, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49, &end
#
# 28 ASP HB2 29 ILE HN 4.05
&rst
ixpk= 0, nxpk= 0, iat= 404, 412, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55, &end
#
# 29 ILE HN 29 ILE HB 3.78
&rst
ixpk= 0, nxpk= 0, iat= 412, 416, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28, &end
#
# 29 ILE HN 29 ILE HG13 3.49
&rst
ixpk= 0, nxpk= 0, iat= 412, 423, r1= 1.30, r2= 1.80, r3= 3.49, r4= 3.99, &end
#
# 14 CYS QB 15 VAL HN 4.03
&rst
ixpk= 0, nxpk= 0, iat= -1, 190, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02,
igr1= 183, 184,
&end
#
# 32 PHE HN 32 PHE HD 4.09
&rst
ixpk= 0, nxpk= 0, iat= 466, -1, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09,
igr2= 474, 482,
&end
#
# 29 ILE HA 32 PHE HN 4.55
&rst
ixpk= 0, nxpk= 0, iat= 414, 466, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05, &end
#
# 13 HIS HN 13 HIS HD2 5.16
&rst
ixpk= 0, nxpk= 0, iat= 162, 175, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66, &end
#
# 32 PHE HE 74 ALA HN 5.35
&rst
ixpk= 0, nxpk= 0, iat= -1,1096, r1= 1.30, r2= 1.80, r3= 6.01, r4= 6.51,
igr1= 476, 480,
&end
#
# 59 PHE HN 59 PHE HD 4.34
&rst
ixpk= 0, nxpk= 0, iat= 873, -1, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37,
igr2= 881, 889,
&end
#
# 75 ASN QB 76 MET HN 3.87
&rst
ixpk= 0, nxpk= 0, iat= -1,1120, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84,
igr1=1110,1111,
&end
#
# 65 ALA HN 65 ALA QB 3.69
&rst
ixpk= 0, nxpk= 0, iat= 964, -1, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93,
igr2= 968, 969, 970,
&end
#
# 69 MET QE 83 LEU HN 4.90
&rst
ixpk= 0, nxpk= 0, iat= -1,1250, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
igr1=1021,1022,1023,
&end
#
# 83 LEU HN 83 LEU HB3 4.19
&rst
ixpk= 0, nxpk= 0, iat=1250,1255, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69, &end
#
# 78 HIS HN 79 ARG HN 4.79
&rst
ixpk= 0, nxpk= 0, iat=1154,1171, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29, &end
#
# 15 VAL HN 57 VAL HN 4.67
&rst
ixpk= 0, nxpk= 0, iat= 190, 842, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17, &end
#
# 2 ASP HN 2 ASP QB 3.47
&rst
ixpk= 0, nxpk= 0, iat= 11, -1, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39,
igr2= 15, 16,
&end
#
# 69 MET QG 71 LYS HN 4.78
&rst
ixpk= 0, nxpk= 0, iat= -1,1038, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,
igr1=1017,1018,
&end
#
# 69 MET QE 71 LYS HN 3.60
&rst
ixpk= 0, nxpk= 0, iat= -1,1038, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82,
igr1=1021,1022,1023,
&end
#
# 25 THR HB 26 GLU HN 3.03
&rst
ixpk= 0, nxpk= 0, iat= 361, 371, r1= 1.30, r2= 1.80, r3= 3.03, r4= 3.53, &end
#
# 20 LEU QD1 26 GLU HN 4.01
&rst
ixpk= 0, nxpk= 0, iat= -1, 371, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32,
igr1= 280, 281, 282,
&end
#
# 77 GLN HG3 78 HIS HN 3.80
&rst
ixpk= 0, nxpk= 0, iat=1145,1154, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end
#
# 61 THR QG2 62 HIS HN 4.36
&rst
ixpk= 0, nxpk= 0, iat= -1, 917, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,
igr1= 909, 910, 911,
&end
#
# 61 THR HB 62 HIS HN 3.45
&rst
ixpk= 0, nxpk= 0, iat= 907, 917, r1= 1.30, r2= 1.80, r3= 3.45, r4= 3.95, &end
#
# 62 HIS HN 62 HIS QB 3.71
&rst
ixpk= 0, nxpk= 0, iat= 917, -1, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66,
igr2= 921, 922,
&end
#
# 55 ALA HN 56 ASP HN 5.38
&rst
ixpk= 0, nxpk= 0, iat= 820, 830, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88, &end
#
# 26 GLU HN 27 ASN HND1 5.50
&rst
ixpk= 0, nxpk= 0, iat= 371, 395, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 30 TYR HN 30 TYR HE 5.50
&rst
ixpk= 0, nxpk= 0, iat= 431, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 441, 446,
&end
#
# 30 TYR HN 30 TYR HD 4.22
&rst
ixpk= 0, nxpk= 0, iat= 431, -1, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,
igr2= 439, 448,
&end
#
# 30 TYR HN 30 TYR HB3 3.44
&rst
ixpk= 0, nxpk= 0, iat= 431, 436, r1= 1.30, r2= 1.80, r3= 3.44, r4= 3.94, &end
#
# 29 ILE QD1 30 TYR HN 4.57
&rst
ixpk= 0, nxpk= 0, iat= -1, 431, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99,
igr1= 425, 426, 427,
&end
#
# 36 LEU HA 37 ASN HN 3.18
&rst
ixpk= 0, nxpk= 0, iat= 533, 550, r1= 1.30, r2= 1.80, r3= 3.18, r4= 3.68, &end
#
# 37 ASN HN 38 PRO HD3 4.68
&rst
ixpk= 0, nxpk= 0, iat= 550, 566, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18, &end
#
# 36 LEU HB2 37 ASN HN 4.24
&rst
ixpk= 0, nxpk= 0, iat= 535, 550, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74, &end
#
# 87 SER HA 88 THR HN 3.49
&rst
ixpk= 0, nxpk= 0, iat=1324,1333, r1= 1.30, r2= 1.80, r3= 3.49, r4= 3.99, &end
#
# 71 LYS HN 72 ASP HN 3.75
&rst
ixpk= 0, nxpk= 0, iat=1038,1060, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25, &end
#
# 63 GLU HB3 64 GLU HN 3.51
&rst
ixpk= 0, nxpk= 0, iat= 939, 949, r1= 1.30, r2= 1.80, r3= 3.51, r4= 4.01, &end
#
# 72 ASP HN 74 ALA QB 4.38
&rst
ixpk= 0, nxpk= 0, iat=1060, -1, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76,
igr2=1100,1101,1102,
&end
#
# 72 ASP HN 83 LEU QD1 3.68
&rst
ixpk= 0, nxpk= 0, iat=1060, -1, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92,
igr2=1259,1260,1261,
&end
#
# 50 ARG HN 50 ARG QG 3.65
&rst
ixpk= 0, nxpk= 0, iat= 744, -1, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,
igr2= 751, 752,
&end
#
# 61 THR HB 64 GLU HN 4.79
&rst
ixpk= 0, nxpk= 0, iat= 907, 949, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29, &end
#
# 64 GLU HN 64 GLU HB2 3.34
&rst
ixpk= 0, nxpk= 0, iat= 949, 953, r1= 1.30, r2= 1.80, r3= 3.34, r4= 3.84, &end
#
# 36 LEU QD2 64 GLU HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 949, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 544, 545, 546,
&end
#
# 63 GLU HN 64 GLU HN 4.21
&rst
ixpk= 0, nxpk= 0, iat= 934, 949, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71, &end
#
# 96 TYR HN 96 TYR HD 4.74
&rst
ixpk= 0, nxpk= 0, iat=1420, -1, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82,
igr2=1428,1437,
&end
#
# 52 THR QG2 54 GLU HN 5.23
&rst
ixpk= 0, nxpk= 0, iat= -1, 805, r1= 1.30, r2= 1.80, r3= 6.28, r4= 6.78,
igr1= 790, 791, 792,
&end
#
# 27 ASN HND1 28 ASP HN 2.87
&rst
ixpk= 0, nxpk= 0, iat= 395, 400, r1= 1.30, r2= 1.80, r3= 2.87, r4= 3.37, &end
#
# 28 ASP HN 28 ASP HB2 3.48
&rst
ixpk= 0, nxpk= 0, iat= 400, 404, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98, &end
#
# 28 ASP HN 28 ASP HB3 3.20
&rst
ixpk= 0, nxpk= 0, iat= 400, 405, r1= 1.30, r2= 1.80, r3= 3.20, r4= 3.70, &end
#
# 28 ASP HN 29 ILE HB 4.61
&rst
ixpk= 0, nxpk= 0, iat= 400, 416, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11, &end
#
# 28 ASP HN 29 ILE HG13 4.39
&rst
ixpk= 0, nxpk= 0, iat= 400, 423, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89, &end
#
# 43 ILE HA 56 ASP HN 5.18
&rst
ixpk= 0, nxpk= 0, iat= 653, 830, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68, &end
#
# 55 ALA HA 56 ASP HN 3.49
&rst
ixpk= 0, nxpk= 0, iat= 822, 830, r1= 1.30, r2= 1.80, r3= 3.49, r4= 3.99, &end
#
# 42 HIS QB 56 ASP HN 4.01
&rst
ixpk= 0, nxpk= 0, iat= -1, 830, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,
igr1= 638, 639,
&end
#
# 55 ALA QB 56 ASP HN 4.01
&rst
ixpk= 0, nxpk= 0, iat= -1, 830, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32,
igr1= 824, 825, 826,
&end
#
# 41 VAL HA 56 ASP HN 5.35
&rst
ixpk= 0, nxpk= 0, iat= 620, 830, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85, &end
#
# 31 ASN HN 31 ASN HB2 3.00
&rst
ixpk= 0, nxpk= 0, iat= 452, 456, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 16 HIS HN 84 PHE HN 4.72
&rst
ixpk= 0, nxpk= 0, iat= 206,1269, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, &end
#
# 83 LEU QD2 84 PHE HN 3.84
&rst
ixpk= 0, nxpk= 0, iat= -1,1269, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,
igr1=1263,1264,1265,
&end
#
# 39 VAL HN 40 ARG HN 3.87
&rst
ixpk= 0, nxpk= 0, iat= 578, 594, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37, &end
#
# 38 PRO HB3 39 VAL HN 4.03
&rst
ixpk= 0, nxpk= 0, iat= 572, 578, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53, &end
#
# 70 SER HN 83 LEU QD1 4.63
&rst
ixpk= 0, nxpk= 0, iat=1027, -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
igr2=1259,1260,1261,
&end
#
# 29 ILE HB 31 ASN HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= 416, 452, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 32 PHE HD 34 SER HN 5.49
&rst
ixpk= 0, nxpk= 0, iat= -1, 506, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66,
igr1= 474, 482,
&end
#
# 34 SER HN 36 LEU HN 4.52
&rst
ixpk= 0, nxpk= 0, iat= 506, 531, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02, &end
#
# 32 PHE HN 34 SER HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= 466, 506, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 33 PHE HB3 34 SER HN 4.74
&rst
ixpk= 0, nxpk= 0, iat= 491, 506, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24, &end
#
# 27 ASN HN 27 ASN HND1 4.55
&rst
ixpk= 0, nxpk= 0, iat= 386, 395, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05, &end
#
# 27 ASN HN 27 ASN HB3 3.57
&rst
ixpk= 0, nxpk= 0, iat= 386, 391, r1= 1.30, r2= 1.80, r3= 3.57, r4= 4.07, &end
#
# 25 THR QG2 27 ASN HN 4.63
&rst
ixpk= 0, nxpk= 0, iat= -1, 386, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
igr1= 363, 364, 365,
&end
#
# 38 PRO HA 40 ARG HN 4.41
&rst
ixpk= 0, nxpk= 0, iat= 574, 594, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91, &end
#
# 5 PHE HD 6 THR HN 4.86
&rst
ixpk= 0, nxpk= 0, iat= -1, 69, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96,
igr1= 57, 65,
&end
#
# 5 PHE HA 6 THR HN 3.09
&rst
ixpk= 0, nxpk= 0, iat= 51, 69, r1= 1.30, r2= 1.80, r3= 3.09, r4= 3.59, &end
#
# 80 TYR HN 80 TYR HD 4.91
&rst
ixpk= 0, nxpk= 0, iat=1195, -1, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01,
igr2=1203,1212,
&end
#
# 74 ALA HA 75 ASN HN 3.22
&rst
ixpk= 0, nxpk= 0, iat=1098,1106, r1= 1.30, r2= 1.80, r3= 3.22, r4= 3.72, &end
#
# 75 ASN HN 75 ASN QB 3.34
&rst
ixpk= 0, nxpk= 0, iat=1106, -1, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25,
igr2=1110,1111,
&end
#
# 74 ALA QB 75 ASN HN 3.52
&rst
ixpk= 0, nxpk= 0, iat= -1,1106, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73,
igr1=1100,1101,1102,
&end
#
# 3 SER HN 3 SER QB 3.78
&rst
ixpk= 0, nxpk= 0, iat= 23, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr2= 27, 28,
&end
#
# 61 THR HB 63 GLU HN 3.46
&rst
ixpk= 0, nxpk= 0, iat= 907, 934, r1= 1.30, r2= 1.80, r3= 3.46, r4= 3.96, &end
#
# 62 HIS QB 63 GLU HN 3.96
&rst
ixpk= 0, nxpk= 0, iat= -1, 934, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
igr1= 921, 922,
&end
#
# 9 SER QB 10 THR HN 4.04
&rst
ixpk= 0, nxpk= 0, iat= -1, 127, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
igr1= 120, 121,
&end
#
# 10 THR HN 10 THR QG2 4.32
&rst
ixpk= 0, nxpk= 0, iat= 127, -1, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,
igr2= 133, 134, 135,
&end
#
# 46 GLY HA2 48 ASP HN 3.38
&rst
ixpk= 0, nxpk= 0, iat= 706, 725, r1= 1.30, r2= 1.80, r3= 3.38, r4= 3.88, &end
#
# 48 ASP HN 48 ASP HB3 3.89
&rst
ixpk= 0, nxpk= 0, iat= 725, 730, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39, &end
#
# 47 PRO QG 48 ASP HN 3.78
&rst
ixpk= 0, nxpk= 0, iat= -1, 725, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1= 715, 716,
&end
#
# 65 ALA HN 66 VAL HN 3.83
&rst
ixpk= 0, nxpk= 0, iat= 964, 974, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33, &end
#
# 63 GLU HA 66 VAL HN 4.11
&rst
ixpk= 0, nxpk= 0, iat= 936, 974, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61, &end
#
# 63 GLU HN 66 VAL HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= 934, 974, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 11 THR HN 11 THR QG2 4.04
&rst
ixpk= 0, nxpk= 0, iat= 141, -1, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
igr2= 147, 148, 149,
&end
#
# 86 ASN HN 87 SER HN 5.50
&rst
ixpk= 0, nxpk= 0, iat=1308,1322, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 85 LEU HG 87 SER HN 5.02
&rst
ixpk= 0, nxpk= 0, iat=1296,1322, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52, &end
#
# 10 THR HA 11 THR HN 3.56
&rst
ixpk= 0, nxpk= 0, iat= 129, 141, r1= 1.30, r2= 1.80, r3= 3.56, r4= 4.06, &end
#
# 46 GLY HN 47 PRO HD3 4.80
&rst
ixpk= 0, nxpk= 0, iat= 704, 713, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, &end
#
# 46 GLY HN 52 THR QG2 4.12
&rst
ixpk= 0, nxpk= 0, iat= 704, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr2= 790, 791, 792,
&end
#
# 88 THR HA 89 THR HN 3.25
&rst
ixpk= 0, nxpk= 0, iat=1335,1347, r1= 1.30, r2= 1.80, r3= 3.25, r4= 3.75, &end
#
# 88 THR QG2 89 THR HN 4.09
&rst
ixpk= 0, nxpk= 0, iat= -1,1347, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,
igr1=1339,1340,1341,
&end
#
# 37 ASN HA 37 ASN HND1 4.85
&rst
ixpk= 0, nxpk= 0, iat= 552, 559, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35, &end
#
# 36 LEU HA 37 ASN HND1 5.50
&rst
ixpk= 0, nxpk= 0, iat= 533, 559, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 37 ASN HA 37 ASN HND2 5.17
&rst
ixpk= 0, nxpk= 0, iat= 552, 560, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67, &end
#
# 31 ASN HB3 31 ASN HND1 3.47
&rst
ixpk= 0, nxpk= 0, iat= 457, 461, r1= 1.30, r2= 1.80, r3= 3.47, r4= 3.97, &end
#
# 28 ASP HA 31 ASN HND1 4.00
&rst
ixpk= 0, nxpk= 0, iat= 402, 461, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 28 ASP HA 31 ASN HND2 4.11
&rst
ixpk= 0, nxpk= 0, iat= 402, 462, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61, &end
#
# 66 VAL HA 69 MET HN 4.27
&rst
ixpk= 0, nxpk= 0, iat= 976,1010, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77, &end
#
# 69 MET HN 69 MET HB2 3.95
&rst
ixpk= 0, nxpk= 0, iat=1010,1014, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45, &end
#
# 66 VAL QG2 69 MET HN 4.59
&rst
ixpk= 0, nxpk= 0, iat= -1,1010, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01,
igr1= 984, 985, 986,
&end
#
# 68 ALA HN 69 MET HN 3.65
&rst
ixpk= 0, nxpk= 0, iat=1000,1010, r1= 1.30, r2= 1.80, r3= 3.65, r4= 4.15, &end
#
# 69 MET HN 69 MET HB3 3.91
&rst
ixpk= 0, nxpk= 0, iat=1010,1015, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41, &end
#
# 68 ALA QB 69 MET HN 3.82
&rst
ixpk= 0, nxpk= 0, iat= -1,1010, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09,
igr1=1004,1005,1006,
&end
#
# 52 THR HN 52 THR HB 3.70
&rst
ixpk= 0, nxpk= 0, iat= 784, 788, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20, &end
#
# 52 THR HN 52 THR QG2 4.07
&rst
ixpk= 0, nxpk= 0, iat= 784, -1, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39,
igr2= 790, 791, 792,
&end
#
# 86 ASN HN 86 ASN HND1 5.50
&rst
ixpk= 0, nxpk= 0, iat=1308,1317, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 25 THR HN 27 ASN HND1 4.27
&rst
ixpk= 0, nxpk= 0, iat= 357, 395, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77, &end
#
# 24 ALA HA 25 THR HN 3.43
&rst
ixpk= 0, nxpk= 0, iat= 349, 357, r1= 1.30, r2= 1.80, r3= 3.43, r4= 3.93, &end
#
# 25 THR HN 28 ASP HB2 4.10
&rst
ixpk= 0, nxpk= 0, iat= 357, 404, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60, &end
#
# 25 THR HN 28 ASP HB3 4.15
&rst
ixpk= 0, nxpk= 0, iat= 357, 405, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65, &end
#
# 24 ALA QB 25 THR HN 3.62
&rst
ixpk= 0, nxpk= 0, iat= -1, 357, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85,
igr1= 351, 352, 353,
&end
#
# 20 LEU QD2 25 THR HN 5.01
&rst
ixpk= 0, nxpk= 0, iat= -1, 357, r1= 1.30, r2= 1.80, r3= 6.02, r4= 6.52,
igr1= 284, 285, 286,
&end
#
# 32 PHE HD 33 PHE HN 4.72
&rst
ixpk= 0, nxpk= 0, iat= -1, 486, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 474, 482,
&end
#
# 30 TYR HA 33 PHE HN 3.84
&rst
ixpk= 0, nxpk= 0, iat= 433, 486, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34, &end
#
# 33 PHE HN 33 PHE HB2 3.79
&rst
ixpk= 0, nxpk= 0, iat= 486, 490, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29, &end
#
# 32 PHE QB 33 PHE HN 3.64
&rst
ixpk= 0, nxpk= 0, iat= -1, 486, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59,
igr1= 470, 471,
&end
#
# 33 PHE HN 33 PHE HB3 3.70
&rst
ixpk= 0, nxpk= 0, iat= 486, 491, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20, &end
#
# 52 THR QG2 53 GLY HN 4.35
&rst
ixpk= 0, nxpk= 0, iat= -1, 798, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
igr1= 790, 791, 792,
&end
#
# 24 ALA QB 77 GLN HNE1 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1149, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 351, 352, 353,
&end
#
# 24 ALA HA 77 GLN HNE1 5.28
&rst
ixpk= 0, nxpk= 0, iat= 349,1149, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78, &end
#
# 24 ALA QB 77 GLN HNE2 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1150, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 351, 352, 353,
&end
#
# 10 THR QG2 12 GLY HN 4.32
&rst
ixpk= 0, nxpk= 0, iat= -1, 155, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,
igr1= 133, 134, 135,
&end
#
# 49 GLY HN 50 ARG HN 3.53
&rst
ixpk= 0, nxpk= 0, iat= 737, 744, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03, &end
#
# 60 ALA HN 61 THR HN 4.33
&rst
ixpk= 0, nxpk= 0, iat= 893, 903, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83, &end
#
# 59 PHE HB3 61 THR HN 4.84
&rst
ixpk= 0, nxpk= 0, iat= 878, 903, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34, &end
#
# 61 THR HN 61 THR QG2 4.24
&rst
ixpk= 0, nxpk= 0, iat= 903, -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
igr2= 909, 910, 911,
&end
#
# 85 LEU QD2 86 ASN HN 5.04
&rst
ixpk= 0, nxpk= 0, iat= -1,1308, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
igr1=1302,1303,1304,
&end
#
# 44 GLU HN 56 ASP HN 4.70
&rst
ixpk= 0, nxpk= 0, iat= 670, 830, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, &end
#
# 36 LEU HN 37 ASN HN 4.55
&rst
ixpk= 0, nxpk= 0, iat= 531, 550, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05, &end
#
# 35 PRO HD3 36 LEU HN 4.30
&rst
ixpk= 0, nxpk= 0, iat= 519, 531, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 84 PHE HE 85 LEU HN 5.33
&rst
ixpk= 0, nxpk= 0, iat= -1,1289, r1= 1.30, r2= 1.80, r3= 5.98, r4= 6.48,
igr1=1279,1283,
&end
#
# 85 LEU HN 85 LEU QD2 5.00
&rst
ixpk= 0, nxpk= 0, iat=1289, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr2=1302,1303,1304,
&end
#
# 41 VAL HB 42 HIS HN 4.70
&rst
ixpk= 0, nxpk= 0, iat= 622, 634, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, &end
#
# 41 VAL QG2 42 HIS HN 4.78
&rst
ixpk= 0, nxpk= 0, iat= -1, 634, r1= 1.30, r2= 1.80, r3= 5.74, r4= 6.24,
igr1= 628, 629, 630,
&end
#
# 80 TYR HB2 81 ILE HN 5.21
&rst
ixpk= 0, nxpk= 0, iat=1199,1216, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71, &end
#
# 81 ILE HN 81 ILE HG12 4.63
&rst
ixpk= 0, nxpk= 0, iat=1216,1226, r1= 1.30, r2= 1.80, r3= 4.63, r4= 5.13, &end
#
# 81 ILE HN 81 ILE QG2 5.27
&rst
ixpk= 0, nxpk= 0, iat=1216, -1, r1= 1.30, r2= 1.80, r3= 6.33, r4= 6.83,
igr2=1222,1223,1224,
&end
#
# 57 VAL HN 58 GLU HN 5.01
&rst
ixpk= 0, nxpk= 0, iat= 842, 858, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51, &end
#
# 32 PHE HE 81 ILE HN 5.01
&rst
ixpk= 0, nxpk= 0, iat= -1,1216, r1= 1.30, r2= 1.80, r3= 5.62, r4= 6.12,
igr1= 476, 480,
&end
#
# 39 VAL QG2 58 GLU HN 5.25
&rst
ixpk= 0, nxpk= 0, iat= -1, 858, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1= 588, 589, 590,
&end
#
# 7 VAL QG2 8 GLN HN 4.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 99, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr1= 93, 94, 95,
&end
#
# 67 ALA HN 68 ALA HN 3.55
&rst
ixpk= 0, nxpk= 0, iat= 990,1000, r1= 1.30, r2= 1.80, r3= 3.55, r4= 4.05, &end
#
# 64 GLU HA 67 ALA HN 4.12
&rst
ixpk= 0, nxpk= 0, iat= 951, 990, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62, &end
#
# 63 GLU HA 67 ALA HN 4.50
&rst
ixpk= 0, nxpk= 0, iat= 936, 990, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 67 ALA HN 69 MET HN 4.98
&rst
ixpk= 0, nxpk= 0, iat= 990,1010, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48, &end
#
# 100 VAL HN 101 MET HN 4.11
&rst
ixpk= 0, nxpk= 0, iat=1480,1496, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61, &end
#
# 100 VAL QG1 101 MET HN 3.99
&rst
ixpk= 0, nxpk= 0, iat= -1,1496, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,
igr1=1486,1487,1488,
&end
#
# 90 GLY HA2 91 ALA HN 3.19
&rst
ixpk= 0, nxpk= 0, iat=1363,1368, r1= 1.30, r2= 1.80, r3= 3.19, r4= 3.69, &end
#
# 65 ALA HA 68 ALA HN 4.75
&rst
ixpk= 0, nxpk= 0, iat= 966,1000, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25, &end
#
# 95 ALA HN 95 ALA QB 3.96
&rst
ixpk= 0, nxpk= 0, iat=1410, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr2=1414,1415,1416,
&end
#
# 39 VAL QG1 60 ALA HN 5.24
&rst
ixpk= 0, nxpk= 0, iat= -1, 893, r1= 1.30, r2= 1.80, r3= 6.29, r4= 6.79,
igr1= 584, 585, 586,
&end
#
# 60 ALA HN 61 THR QG2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 893, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 909, 910, 911,
&end
#
# 17 MET HN 83 LEU HB2 5.21
&rst
ixpk= 0, nxpk= 0, iat= 223,1254, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71, &end
#
# 7 VAL HN 8 GLN HN 4.35
&rst
ixpk= 0, nxpk= 0, iat= 83, 99, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85, &end
#
# 6 THR HA 7 VAL HN 2.76
&rst
ixpk= 0, nxpk= 0, iat= 71, 83, r1= 1.30, r2= 1.80, r3= 2.76, r4= 3.26, &end
#
# 7 VAL HN 7 VAL HB 3.14
&rst
ixpk= 0, nxpk= 0, iat= 83, 87, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64, &end
#
# 7 VAL HN 7 VAL QG2 3.24
&rst
ixpk= 0, nxpk= 0, iat= 83, -1, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39,
igr2= 93, 94, 95,
&end
#
# 24 ALA HN 25 THR HN 4.88
&rst
ixpk= 0, nxpk= 0, iat= 347, 357, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38, &end
#
# 41 VAL HN 41 VAL QG1 4.78
&rst
ixpk= 0, nxpk= 0, iat= 618, -1, r1= 1.30, r2= 1.80, r3= 5.74, r4= 6.24,
igr2= 624, 625, 626,
&end
#
# 4 GLU HN 5 PHE HN 4.29
&rst
ixpk= 0, nxpk= 0, iat= 34, 49, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79, &end
#
# 3 SER HA 4 GLU HN 3.11
&rst
ixpk= 0, nxpk= 0, iat= 25, 34, r1= 1.30, r2= 1.80, r3= 3.11, r4= 3.61, &end
#
# 3 SER QB 4 GLU HN 3.75
&rst
ixpk= 0, nxpk= 0, iat= -1, 34, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71,
igr1= 27, 28,
&end
#
# 4 GLU HN 5 PHE HA 4.60
&rst
ixpk= 0, nxpk= 0, iat= 34, 51, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, &end
#
# 28 ASP HB3 29 ILE HN 4.36
&rst
ixpk= 0, nxpk= 0, iat= 405, 412, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86, &end
#
# 76 MET QE 77 GLN HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1137, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1131,1132,1133,
&end
#
# 98 SER QB 99 GLN HN 4.64
&rst
ixpk= 0, nxpk= 0, iat= -1,1463, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71,
igr1=1456,1457,
&end
#
# 15 VAL HN 58 GLU HA 5.06
&rst
ixpk= 0, nxpk= 0, iat= 190, 860, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56, &end
#
# 15 VAL HN 86 ASN HB3 5.05
&rst
ixpk= 0, nxpk= 0, iat= 190,1313, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, &end
#
# 99 GLN HN 99 GLN QG 5.28
&rst
ixpk= 0, nxpk= 0, iat=1463, -1, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43,
igr2=1470,1471,
&end
#
# 15 VAL HN 15 VAL QG1 5.50
&rst
ixpk= 0, nxpk= 0, iat= 190, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 196, 197, 198,
&end
#
# 15 VAL HN 85 LEU QD2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 190, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1302,1303,1304,
&end
#
# 32 PHE HN 33 PHE HN 3.95
&rst
ixpk= 0, nxpk= 0, iat= 466, 486, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45, &end
#
# 13 HIS HN 65 ALA QB 5.50
&rst
ixpk= 0, nxpk= 0, iat= 162, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 968, 969, 970,
&end
#
# 74 ALA HN 75 ASN HN 4.56
&rst
ixpk= 0, nxpk= 0, iat=1096,1106, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06, &end
#
# 31 ASN HN 32 PHE HN 4.04
&rst
ixpk= 0, nxpk= 0, iat= 452, 466, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54, &end
#
# 73 ARG HN 74 ALA HN 4.34
&rst
ixpk= 0, nxpk= 0, iat=1072,1096, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84, &end
#
# 58 GLU HB3 59 PHE HN 4.89
&rst
ixpk= 0, nxpk= 0, iat= 863, 873, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39, &end
#
# 73 ARG QB 74 ALA HN 5.11
&rst
ixpk= 0, nxpk= 0, iat= -1,1096, r1= 1.30, r2= 1.80, r3= 5.74, r4= 6.24,
igr1=1076,1077,
&end
#
# 82 GLU HN 83 LEU HN 4.98
&rst
ixpk= 0, nxpk= 0, iat=1235,1250, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48, &end
#
# 59 PHE HB3 65 ALA HN 4.42
&rst
ixpk= 0, nxpk= 0, iat= 878, 964, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92, &end
#
# 64 GLU HN 65 ALA HN 4.02
&rst
ixpk= 0, nxpk= 0, iat= 949, 964, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52, &end
#
# 99 GLN QG 100 VAL HN 4.47
&rst
ixpk= 0, nxpk= 0, iat= -1,1480, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52,
igr1=1470,1471,
&end
#
# 63 GLU HA 65 ALA HN 4.57
&rst
ixpk= 0, nxpk= 0, iat= 936, 964, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07, &end
#
# 61 THR HB 65 ALA HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= 907, 964, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 62 HIS HA 65 ALA HN 5.07
&rst
ixpk= 0, nxpk= 0, iat= 919, 964, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57, &end
#
# 65 ALA HN 67 ALA QB 5.50
&rst
ixpk= 0, nxpk= 0, iat= 964, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 994, 995, 996,
&end
#
# 65 ALA HN 66 VAL QG2 4.61
&rst
ixpk= 0, nxpk= 0, iat= 964, -1, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,
igr2= 984, 985, 986,
&end
#
# 65 ALA HN 66 VAL QG1 4.90
&rst
ixpk= 0, nxpk= 0, iat= 964, -1, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
igr2= 980, 981, 982,
&end
#
# 99 GLN HA 100 VAL HN 2.95
&rst
ixpk= 0, nxpk= 0, iat=1465,1480, r1= 1.30, r2= 1.80, r3= 2.95, r4= 3.45, &end
#
# 100 VAL HN 100 VAL QG1 3.35
&rst
ixpk= 0, nxpk= 0, iat=1480, -1, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52,
igr2=1486,1487,1488,
&end
#
# 63 GLU HN 65 ALA HN 4.93
&rst
ixpk= 0, nxpk= 0, iat= 934, 964, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43, &end
#
# 77 GLN HG3 79 ARG HN 4.91
&rst
ixpk= 0, nxpk= 0, iat=1145,1171, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41, &end
#
# 33 PHE HE 57 VAL HN 5.21
&rst
ixpk= 0, nxpk= 0, iat= -1, 842, r1= 1.30, r2= 1.80, r3= 5.85, r4= 6.35,
igr1= 496, 500,
&end
#
# 1 GLY QA 2 ASP HN 3.17
&rst
ixpk= 0, nxpk= 0, iat= -1, 11, r1= 1.30, r2= 1.80, r3= 3.56, r4= 4.06,
igr1= 6, 7,
&end
#
# 5 PHE HN 6 THR HN 4.43
&rst
ixpk= 0, nxpk= 0, iat= 49, 69, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93, &end
#
# 5 PHE HN 5 PHE HD 3.92
&rst
ixpk= 0, nxpk= 0, iat= 49, -1, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,
igr2= 57, 65,
&end
#
# 4 GLU HA 5 PHE HN 2.94
&rst
ixpk= 0, nxpk= 0, iat= 36, 49, r1= 1.30, r2= 1.80, r3= 2.94, r4= 3.44, &end
#
# 5 PHE HN 5 PHE HB2 3.32
&rst
ixpk= 0, nxpk= 0, iat= 49, 53, r1= 1.30, r2= 1.80, r3= 3.32, r4= 3.82, &end
#
# 5 PHE HN 5 PHE HB3 3.20
&rst
ixpk= 0, nxpk= 0, iat= 49, 54, r1= 1.30, r2= 1.80, r3= 3.20, r4= 3.70, &end
#
# 4 GLU QB 5 PHE HN 3.49
&rst
ixpk= 0, nxpk= 0, iat= -1, 49, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42,
igr1= 38, 39,
&end
#
# 71 LYS HN 71 LYS HG2 4.01
&rst
ixpk= 0, nxpk= 0, iat=1038,1045, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51, &end
#
# 71 LYS HN 83 LEU QD1 4.05
&rst
ixpk= 0, nxpk= 0, iat=1038, -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
igr2=1259,1260,1261,
&end
#
# 20 LEU HN 20 LEU HG 4.21
&rst
ixpk= 0, nxpk= 0, iat= 271, 278, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71, &end
#
# 43 ILE HA 55 ALA HN 5.18
&rst
ixpk= 0, nxpk= 0, iat= 653, 820, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68, &end
#
# 29 ILE QD1 55 ALA HN 5.26
&rst
ixpk= 0, nxpk= 0, iat= -1, 820, r1= 1.30, r2= 1.80, r3= 6.32, r4= 6.82,
igr1= 425, 426, 427,
&end
#
# 25 THR HA 26 GLU HN 3.52
&rst
ixpk= 0, nxpk= 0, iat= 359, 371, r1= 1.30, r2= 1.80, r3= 3.52, r4= 4.02, &end
#
# 64 GLU HN 66 VAL QG2 5.42
&rst
ixpk= 0, nxpk= 0, iat= 949, -1, r1= 1.30, r2= 1.80, r3= 6.51, r4= 7.01,
igr2= 984, 985, 986,
&end
#
# 72 ASP HN 72 ASP HB2 3.72
&rst
ixpk= 0, nxpk= 0, iat=1060,1064, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22, &end
#
# 72 ASP HN 72 ASP HB3 3.62
&rst
ixpk= 0, nxpk= 0, iat=1060,1065, r1= 1.30, r2= 1.80, r3= 3.62, r4= 4.12, &end
#
# 69 MET QE 72 ASP HN 4.34
&rst
ixpk= 0, nxpk= 0, iat= -1,1060, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71,
igr1=1021,1022,1023,
&end
#
# 50 ARG HN 51 VAL HN 5.11
&rst
ixpk= 0, nxpk= 0, iat= 744, 768, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61, &end
#
# 48 ASP HA 50 ARG HN 4.46
&rst
ixpk= 0, nxpk= 0, iat= 727, 744, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96, &end
#
# 48 ASP HB2 50 ARG HN 5.09
&rst
ixpk= 0, nxpk= 0, iat= 729, 744, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59, &end
#
# 50 ARG HN 50 ARG QB 4.02
&rst
ixpk= 0, nxpk= 0, iat= 744, -1, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01,
igr2= 748, 749,
&end
#
# 63 GLU HB2 64 GLU HN 4.20
&rst
ixpk= 0, nxpk= 0, iat= 938, 949, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 95 ALA HA 96 TYR HN 3.29
&rst
ixpk= 0, nxpk= 0, iat=1412,1420, r1= 1.30, r2= 1.80, r3= 3.29, r4= 3.79, &end
#
# 96 TYR HN 96 TYR HB3 3.56
&rst
ixpk= 0, nxpk= 0, iat=1420,1425, r1= 1.30, r2= 1.80, r3= 3.56, r4= 4.06, &end
#
# 95 ALA QB 96 TYR HN 4.04
&rst
ixpk= 0, nxpk= 0, iat= -1,1420, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
igr1=1414,1415,1416,
&end
#
# 25 THR HN 28 ASP HN 4.35
&rst
ixpk= 0, nxpk= 0, iat= 357, 400, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85, &end
#
# 28 ASP HN 30 TYR HN 4.73
&rst
ixpk= 0, nxpk= 0, iat= 400, 431, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23, &end
#
# 27 ASN HN 28 ASP HN 5.13
&rst
ixpk= 0, nxpk= 0, iat= 386, 400, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63, &end
#
# 53 GLY HN 54 GLU HN 5.06
&rst
ixpk= 0, nxpk= 0, iat= 798, 805, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56, &end
#
# 44 GLU HB3 56 ASP HN 5.20
&rst
ixpk= 0, nxpk= 0, iat= 675, 830, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70, &end
#
# 29 ILE QD1 56 ASP HN 4.97
&rst
ixpk= 0, nxpk= 0, iat= -1, 830, r1= 1.30, r2= 1.80, r3= 5.97, r4= 6.47,
igr1= 425, 426, 427,
&end
#
# 30 TYR HE 31 ASN HN 5.31
&rst
ixpk= 0, nxpk= 0, iat= -1, 452, r1= 1.30, r2= 1.80, r3= 5.96, r4= 6.46,
igr1= 441, 446,
&end
#
# 8 GLN QG 9 SER HN 5.26
&rst
ixpk= 0, nxpk= 0, iat= -1, 116, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,
igr1= 106, 107,
&end
#
# 31 ASN HN 31 ASN HND1 4.65
&rst
ixpk= 0, nxpk= 0, iat= 452, 461, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15, &end
#
# 31 ASN HN 31 ASN HB3 3.48
&rst
ixpk= 0, nxpk= 0, iat= 452, 457, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98, &end
#
# 29 ILE QD1 31 ASN HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 452, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 425, 426, 427,
&end
#
# 83 LEU HB2 84 PHE HN 4.71
&rst
ixpk= 0, nxpk= 0, iat=1254,1269, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21, &end
#
# 70 SER HN 71 LYS HN 3.92
&rst
ixpk= 0, nxpk= 0, iat=1027,1038, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42, &end
#
# 68 ALA HA 70 SER HN 5.21
&rst
ixpk= 0, nxpk= 0, iat=1002,1027, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71, &end
#
# 69 MET HB2 70 SER HN 4.77
&rst
ixpk= 0, nxpk= 0, iat=1014,1027, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27, &end
#
# 69 MET QE 70 SER HN 4.64
&rst
ixpk= 0, nxpk= 0, iat= -1,1027, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07,
igr1=1021,1022,1023,
&end
#
# 68 ALA QB 70 SER HN 4.94
&rst
ixpk= 0, nxpk= 0, iat= -1,1027, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43,
igr1=1004,1005,1006,
&end
#
# 97 SER HN 97 SER HB2 3.23
&rst
ixpk= 0, nxpk= 0, iat=1441,1445, r1= 1.30, r2= 1.80, r3= 3.23, r4= 3.73, &end
#
# 33 PHE HB2 34 SER HN 4.31
&rst
ixpk= 0, nxpk= 0, iat= 490, 506, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81, &end
#
# 26 GLU HN 27 ASN HN 4.95
&rst
ixpk= 0, nxpk= 0, iat= 371, 386, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45, &end
#
# 39 VAL HB 40 ARG HN 4.59
&rst
ixpk= 0, nxpk= 0, iat= 582, 594, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09, &end
#
# 26 GLU HB2 27 ASN HN 4.46
&rst
ixpk= 0, nxpk= 0, iat= 375, 386, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96, &end
#
# 6 THR HN 7 VAL QG2 5.21
&rst
ixpk= 0, nxpk= 0, iat= 69, -1, r1= 1.30, r2= 1.80, r3= 6.26, r4= 6.76,
igr2= 93, 94, 95,
&end
#
# 6 THR HN 6 THR HB 3.81
&rst
ixpk= 0, nxpk= 0, iat= 69, 73, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31, &end
#
# 5 PHE HB2 6 THR HN 4.14
&rst
ixpk= 0, nxpk= 0, iat= 53, 69, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64, &end
#
# 2 ASP HA 3 SER HN 3.24
&rst
ixpk= 0, nxpk= 0, iat= 13, 23, r1= 1.30, r2= 1.80, r3= 3.24, r4= 3.74, &end
#
# 2 ASP QB 3 SER HN 4.13
&rst
ixpk= 0, nxpk= 0, iat= -1, 23, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,
igr1= 15, 16,
&end
#
# 62 HIS HN 63 GLU HN 4.23
&rst
ixpk= 0, nxpk= 0, iat= 917, 934, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73, &end
#
# 63 GLU HN 63 GLU HB2 3.94
&rst
ixpk= 0, nxpk= 0, iat= 934, 938, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44, &end
#
# 23 LYS HN 24 ALA HA 4.65
&rst
ixpk= 0, nxpk= 0, iat= 325, 349, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15, &end
#
# 23 LYS HN 24 ALA HN 4.96
&rst
ixpk= 0, nxpk= 0, iat= 325, 347, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46, &end
#
# 47 PRO HB2 48 ASP HN 4.62
&rst
ixpk= 0, nxpk= 0, iat= 718, 725, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12, &end
#
# 48 ASP HN 49 GLY HN 4.03
&rst
ixpk= 0, nxpk= 0, iat= 725, 737, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53, &end
#
# 47 PRO HD3 48 ASP HN 4.29
&rst
ixpk= 0, nxpk= 0, iat= 713, 725, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79, &end
#
# 48 ASP HN 48 ASP HB2 4.00
&rst
ixpk= 0, nxpk= 0, iat= 725, 729, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 48 ASP HN 50 ARG HN 4.72
&rst
ixpk= 0, nxpk= 0, iat= 725, 744, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, &end
#
# 66 VAL HN 67 ALA QB 5.50
&rst
ixpk= 0, nxpk= 0, iat= 974, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 994, 995, 996,
&end
#
# 66 VAL HN 67 ALA HN 4.05
&rst
ixpk= 0, nxpk= 0, iat= 974, 990, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55, &end
#
# 62 HIS HA 66 VAL HN 4.74
&rst
ixpk= 0, nxpk= 0, iat= 919, 974, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24, &end
#
# 66 VAL HN 66 VAL HB 3.81
&rst
ixpk= 0, nxpk= 0, iat= 974, 978, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31, &end
#
# 66 VAL HN 85 LEU QD1 4.96
&rst
ixpk= 0, nxpk= 0, iat= 974, -1, r1= 1.30, r2= 1.80, r3= 5.96, r4= 6.46,
igr2=1298,1299,1300,
&end
#
# 85 LEU QD2 87 SER HN 5.45
&rst
ixpk= 0, nxpk= 0, iat= -1,1322, r1= 1.30, r2= 1.80, r3= 6.55, r4= 7.05,
igr1=1302,1303,1304,
&end
#
# 11 THR HN 11 THR HB 4.12
&rst
ixpk= 0, nxpk= 0, iat= 141, 145, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62, &end
#
# 11 THR HN 12 GLY HN 4.49
&rst
ixpk= 0, nxpk= 0, iat= 141, 155, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99, &end
#
# 85 LEU QD1 87 SER HN 5.08
&rst
ixpk= 0, nxpk= 0, iat= -1,1322, r1= 1.30, r2= 1.80, r3= 6.10, r4= 6.60,
igr1=1298,1299,1300,
&end
#
# 45 ILE HB 46 GLY HN 4.75
&rst
ixpk= 0, nxpk= 0, iat= 689, 704, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25, &end
#
# 27 ASN HA 27 ASN HND1 4.29
&rst
ixpk= 0, nxpk= 0, iat= 388, 395, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79, &end
#
# 27 ASN HA 27 ASN HND2 5.22
&rst
ixpk= 0, nxpk= 0, iat= 388, 396, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72, &end
#
# 89 THR HN 89 THR HB 3.75
&rst
ixpk= 0, nxpk= 0, iat=1347,1351, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25, &end
#
# 37 ASN HN 37 ASN HND2 5.00
&rst
ixpk= 0, nxpk= 0, iat= 550, 560, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 37 ASN HN 37 ASN HND1 4.48
&rst
ixpk= 0, nxpk= 0, iat= 550, 559, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98, &end
#
# 37 ASN HB2 37 ASN HND1 3.74
&rst
ixpk= 0, nxpk= 0, iat= 554, 559, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24, &end
#
# 37 ASN HB3 37 ASN HND1 3.56
&rst
ixpk= 0, nxpk= 0, iat= 555, 559, r1= 1.30, r2= 1.80, r3= 3.56, r4= 4.06, &end
#
# 36 LEU QD1 37 ASN HND1 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 559, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 540, 541, 542,
&end
#
# 31 ASN HB3 31 ASN HND2 3.64
&rst
ixpk= 0, nxpk= 0, iat= 457, 462, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14, &end
#
# 99 GLN HA 99 GLN HNE1 4.72
&rst
ixpk= 0, nxpk= 0, iat=1465,1475, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, &end
#
# 67 ALA HA 69 MET HN 4.67
&rst
ixpk= 0, nxpk= 0, iat= 992,1010, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17, &end
#
# 69 MET HN 69 MET QG 4.41
&rst
ixpk= 0, nxpk= 0, iat=1010, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr2=1017,1018,
&end
#
# 69 MET HN 69 MET QE 4.56
&rst
ixpk= 0, nxpk= 0, iat=1010, -1, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98,
igr2=1021,1022,1023,
&end
#
# 66 VAL QG1 69 MET HN 5.13
&rst
ixpk= 0, nxpk= 0, iat= -1,1010, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66,
igr1= 980, 981, 982,
&end
#
# 99 GLN HA 99 GLN HNE2 4.90
&rst
ixpk= 0, nxpk= 0, iat=1465,1476, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40, &end
#
# 99 GLN QG 99 GLN HNE2 3.65
&rst
ixpk= 0, nxpk= 0, iat= -1,1476, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,
igr1=1470,1471,
&end
#
# 51 VAL HN 52 THR HN 5.18
&rst
ixpk= 0, nxpk= 0, iat= 768, 784, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68, &end
#
# 51 VAL HB 52 THR HN 5.03
&rst
ixpk= 0, nxpk= 0, iat= 772, 784, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53, &end
#
# 89 THR QG2 90 GLY HN 5.28
&rst
ixpk= 0, nxpk= 0, iat= -1,1361, r1= 1.30, r2= 1.80, r3= 6.34, r4= 6.84,
igr1=1353,1354,1355,
&end
#
# 90 GLY HN 91 ALA HN 4.17
&rst
ixpk= 0, nxpk= 0, iat=1361,1368, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67, &end
#
# 31 ASN HN 33 PHE HN 5.15
&rst
ixpk= 0, nxpk= 0, iat= 452, 486, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65, &end
#
# 33 PHE HN 76 MET QE 5.37
&rst
ixpk= 0, nxpk= 0, iat= 486, -1, r1= 1.30, r2= 1.80, r3= 6.45, r4= 6.95,
igr2=1131,1132,1133,
&end
#
# 88 THR QG2 90 GLY HN 5.47
&rst
ixpk= 0, nxpk= 0, iat= -1,1361, r1= 1.30, r2= 1.80, r3= 6.57, r4= 7.07,
igr1=1339,1340,1341,
&end
#
# 77 GLN HA 77 GLN HNE1 5.04
&rst
ixpk= 0, nxpk= 0, iat=1139,1149, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54, &end
#
# 10 THR HA 12 GLY HN 4.89
&rst
ixpk= 0, nxpk= 0, iat= 129, 155, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39, &end
#
# 12 GLY HN 13 HIS HN 5.11
&rst
ixpk= 0, nxpk= 0, iat= 155, 162, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61, &end
#
# 12 GLY HN 92 SER HA 4.18
&rst
ixpk= 0, nxpk= 0, iat= 155,1380, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68, &end
#
# 11 THR QG2 12 GLY HN 4.58
&rst
ixpk= 0, nxpk= 0, iat= -1, 155, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
igr1= 147, 148, 149,
&end
#
# 48 ASP HB2 49 GLY HN 4.91
&rst
ixpk= 0, nxpk= 0, iat= 729, 737, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41, &end
#
# 48 ASP HB3 49 GLY HN 4.70
&rst
ixpk= 0, nxpk= 0, iat= 730, 737, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, &end
#
# 60 ALA QB 61 THR HN 4.32
&rst
ixpk= 0, nxpk= 0, iat= -1, 903, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,
igr1= 897, 898, 899,
&end
#
# 13 HIS HB3 61 THR HN 4.61
&rst
ixpk= 0, nxpk= 0, iat= 167, 903, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11, &end
#
# 62 HIS HE1 88 THR HA 3.41
&rst
ixpk= 0, nxpk= 0, iat= 927,1335, r1= 1.30, r2= 1.80, r3= 3.41, r4= 3.91, &end
#
# 62 HIS HE1 85 LEU HG 4.21
&rst
ixpk= 0, nxpk= 0, iat= 927,1296, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71, &end
#
# 62 HIS HE1 85 LEU QD1 3.14
&rst
ixpk= 0, nxpk= 0, iat= 927, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr2=1298,1299,1300,
&end
#
# 62 HIS HE1 85 LEU QD2 3.88
&rst
ixpk= 0, nxpk= 0, iat= 927, -1, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,
igr2=1302,1303,1304,
&end
#
# 62 HIS HE1 66 VAL QG1 3.40
&rst
ixpk= 0, nxpk= 0, iat= 927, -1, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58,
igr2= 980, 981, 982,
&end
#
# 96 TYR HD 97 SER HA 4.29
&rst
ixpk= 0, nxpk= 0, iat= -1,1443, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32,
igr1=1428,1437,
&end
#
# 95 ALA QB 96 TYR HD 3.86
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,
igr1=1414,1415,1416,
igr2=1428,1437,
&end
#
# 7 VAL QG1 96 TYR HD 4.47
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.03, r4= 6.53,
igr1= 89, 90, 91,
igr2=1428,1437,
&end
#
# 30 TYR HD 41 VAL HA 4.55
&rst
ixpk= 0, nxpk= 0, iat= -1, 620, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61,
igr1= 439, 448,
&end
#
# 30 TYR HD 38 PRO HA 3.82
&rst
ixpk= 0, nxpk= 0, iat= -1, 574, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79,
igr1= 439, 448,
&end
#
# 26 GLU HG2 30 TYR HD 4.75
&rst
ixpk= 0, nxpk= 0, iat= 378, -1, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83,
igr2= 439, 448,
&end
#
# 29 ILE HB 30 TYR HD 4.36
&rst
ixpk= 0, nxpk= 0, iat= 416, -1, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39,
igr2= 439, 448,
&end
#
# 30 TYR HD 38 PRO HB2 4.08
&rst
ixpk= 0, nxpk= 0, iat= -1, 571, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
igr1= 439, 448,
&end
#
# 30 TYR HD 41 VAL QG2 3.57
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.81, r4= 5.31,
igr1= 439, 448,
igr2= 628, 629, 630,
&end
#
# 73 ARG QD 80 TYR HD 4.37
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01,
igr1=1082,1083,
igr2=1203,1212,
&end
#
# 73 ARG HA 80 TYR HD 4.33
&rst
ixpk= 0, nxpk= 0, iat=1074, -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
igr2=1203,1212,
&end
#
# 80 TYR HD 82 GLU QG 4.95
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.24, r4= 6.74,
igr1=1203,1212,
igr2=1242,1243,
&end
#
# 33 PHE HE 57 VAL QG2 4.93
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.65, r4= 7.15,
igr1= 496, 500,
igr2= 852, 853, 854,
&end
#
# 33 PHE HA 33 PHE HE 4.44
&rst
ixpk= 0, nxpk= 0, iat= 488, -1, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48,
igr2= 496, 500,
&end
#
# 33 PHE HE 57 VAL HB 4.76
&rst
ixpk= 0, nxpk= 0, iat= -1, 846, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
igr1= 496, 500,
&end
#
# 33 PHE HE 68 ALA QB 3.48
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19,
igr1= 496, 500,
igr2=1004,1005,1006,
&end
#
# 29 ILE QG2 33 PHE HE 3.75
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,
igr1= 418, 419, 420,
igr2= 496, 500,
&end
#
# 29 ILE QD1 33 PHE HE 4.92
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.63, r4= 7.13,
igr1= 425, 426, 427,
igr2= 496, 500,
&end
#
# 33 PHE HD 68 ALA QB 3.78
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
igr1= 494, 502,
igr2=1004,1005,1006,
&end
#
# 33 PHE HA 33 PHE HD 3.61
&rst
ixpk= 0, nxpk= 0, iat= 488, -1, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55,
igr2= 494, 502,
&end
#
# 29 ILE QG2 33 PHE HD 3.87
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
igr1= 418, 419, 420,
igr2= 494, 502,
&end
#
# 33 PHE HD 41 VAL QG1 4.54
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.12, r4= 6.62,
igr1= 494, 502,
igr2= 624, 625, 626,
&end
#
# 29 ILE HA 33 PHE HD 4.76
&rst
ixpk= 0, nxpk= 0, iat= 414, -1, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
igr2= 494, 502,
&end
#
# 33 PHE HD 57 VAL QG2 4.65
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.27, r4= 6.77,
igr1= 494, 502,
igr2= 852, 853, 854,
&end
#
# 33 PHE HD 68 ALA HA 4.42
&rst
ixpk= 0, nxpk= 0, iat= -1,1002, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,
igr1= 494, 502,
&end
#
# 5 PHE HA 5 PHE HE 4.27
&rst
ixpk= 0, nxpk= 0, iat= 51, -1, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,
igr2= 59, 63,
&end
#
# 59 PHE HA 59 PHE HD 4.10
&rst
ixpk= 0, nxpk= 0, iat= 875, -1, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
igr2= 881, 889,
&end
#
# 59 PHE HD 65 ALA QB 4.03
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,
igr1= 881, 889,
igr2= 968, 969, 970,
&end
#
# 15 VAL QG2 59 PHE HD 4.30
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
igr1= 200, 201, 202,
igr2= 881, 889,
&end
#
# 57 VAL QG2 59 PHE HD 4.68
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.31, r4= 6.81,
igr1= 852, 853, 854,
igr2= 881, 889,
&end
#
# 39 VAL QG2 59 PHE HD 4.74
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.39, r4= 6.89,
igr1= 588, 589, 590,
igr2= 881, 889,
&end
#
# 22 TYR HD 51 VAL QG2 3.28
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92,
igr1= 312, 321,
igr2= 778, 779, 780,
&end
#
# 32 PHE HE 81 ILE QG2 4.57
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66,
igr1= 476, 480,
igr2=1222,1223,1224,
&end
#
# 32 PHE HE 33 PHE HE 4.77
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.01, r4= 6.51,
igr1= 476, 480,
igr2= 496, 500,
&end
#
# 84 PHE HA 84 PHE HD 4.42
&rst
ixpk= 0, nxpk= 0, iat=1271, -1, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,
igr2=1277,1285,
&end
#
# 57 VAL QG1 59 PHE HE 4.31
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31,
igr1= 848, 849, 850,
igr2= 883, 887,
&end
#
# 59 PHE HE 68 ALA QB 3.89
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,
igr1= 883, 887,
igr2=1004,1005,1006,
&end
#
# 57 VAL QG2 59 PHE HE 4.87
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.56, r4= 7.06,
igr1= 852, 853, 854,
igr2= 883, 887,
&end
#
# 36 LEU HB3 59 PHE HE 4.62
&rst
ixpk= 0, nxpk= 0, iat= 536, -1, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,
igr2= 883, 887,
&end
#
# 32 PHE HZ 33 PHE HE 4.91
&rst
ixpk= 0, nxpk= 0, iat= 478, -1, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01,
igr2= 496, 500,
&end
#
# 32 PHE HZ 81 ILE QG2 4.28
&rst
ixpk= 0, nxpk= 0, iat= 478, -1, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
igr2=1222,1223,1224,
&end
#
# 32 PHE HZ 81 ILE HB 4.11
&rst
ixpk= 0, nxpk= 0, iat= 478,1220, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61, &end
#
# 32 PHE HZ 83 LEU QD1 4.31
&rst
ixpk= 0, nxpk= 0, iat= 478, -1, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68,
igr2=1259,1260,1261,
&end
#
# 59 PHE HZ 68 ALA QB 4.05
&rst
ixpk= 0, nxpk= 0, iat= 885, -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
igr2=1004,1005,1006,
&end
#
# 15 VAL QG1 33 PHE HZ 3.37
&rst
ixpk= 0, nxpk= 0, iat= -1, 498, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55,
igr1= 196, 197, 198,
&end
#
# 33 PHE HZ 69 MET QE 4.75
&rst
ixpk= 0, nxpk= 0, iat= 498, -1, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,
igr2=1021,1022,1023,
&end
#
# 13 HIS HD2 61 THR HA 4.04
&rst
ixpk= 0, nxpk= 0, iat= 175, 905, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54, &end
#
# 13 HIS HD2 60 ALA HA 4.16
&rst
ixpk= 0, nxpk= 0, iat= 175, 895, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66, &end
#
# 13 HIS HD2 61 THR QG2 4.20
&rst
ixpk= 0, nxpk= 0, iat= 175, -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr2= 909, 910, 911,
&end
#
# 42 HIS HA 42 HIS HD2 4.37
&rst
ixpk= 0, nxpk= 0, iat= 636, 647, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87, &end
#
# 27 ASN HB2 30 TYR HE 4.23
&rst
ixpk= 0, nxpk= 0, iat= 390, -1, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25,
igr2= 441, 446,
&end
#
# 26 GLU HG2 30 TYR HE 4.30
&rst
ixpk= 0, nxpk= 0, iat= 378, -1, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
igr2= 441, 446,
&end
#
# 30 TYR HE 38 PRO HB2 3.55
&rst
ixpk= 0, nxpk= 0, iat= -1, 571, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48,
igr1= 441, 446,
&end
#
# 30 TYR HE 41 VAL QG1 3.71
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
igr1= 441, 446,
igr2= 624, 625, 626,
&end
#
# 62 HIS QB 62 HIS HD2 3.35
&rst
ixpk= 0, nxpk= 0, iat= -1, 930, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26,
igr1= 921, 922,
&end
#
# 62 HIS HD2 66 VAL QG1 3.56
&rst
ixpk= 0, nxpk= 0, iat= 930, -1, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78,
igr2= 980, 981, 982,
&end
#
# 78 HIS HA 78 HIS HD2 4.23
&rst
ixpk= 0, nxpk= 0, iat=1156,1167, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73, &end
#
# 78 HIS HB2 78 HIS HD2 3.87
&rst
ixpk= 0, nxpk= 0, iat=1158,1167, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37, &end
#
# 77 GLN HG3 78 HIS HD2 4.18
&rst
ixpk= 0, nxpk= 0, iat=1145,1167, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68, &end
#
# 27 ASN HA 30 TYR HE 3.64
&rst
ixpk= 0, nxpk= 0, iat= 388, -1, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59,
igr2= 441, 446,
&end
#
# 62 HIS HD2 89 THR HB 3.84
&rst
ixpk= 0, nxpk= 0, iat= 930,1351, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34, &end
#
# 62 HIS HD2 63 GLU HG3 4.60
&rst
ixpk= 0, nxpk= 0, iat= 930, 942, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, &end
#
# 62 HIS HD2 66 VAL QG2 4.67
&rst
ixpk= 0, nxpk= 0, iat= 930, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2= 984, 985, 986,
&end
#
# 62 HIS HD2 88 THR HA 4.83
&rst
ixpk= 0, nxpk= 0, iat= 930,1335, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33, &end
#
# 73 ARG QD 80 TYR HE 4.05
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
igr1=1082,1083,
igr2=1205,1210,
&end
#
# 80 TYR HE 82 GLU QG 3.65
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
igr1=1205,1210,
igr2=1242,1243,
&end
#
# 73 ARG HG3 80 TYR HE 4.52
&rst
ixpk= 0, nxpk= 0, iat=1080, -1, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,
igr2=1205,1210,
&end
#
# 22 TYR HE 51 VAL QG2 3.89
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,
igr1= 314, 319,
igr2= 778, 779, 780,
&end
#
# 42 HIS HN 56 ASP O 1.8 2.4
&rst
ixpk= 0, nxpk= 0, iat= 634, 840, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90, &end
#
# 56 ASP HN 42 HIS O 1.8 2.4
&rst
ixpk= 0, nxpk= 0, iat= 830, 649, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90, &end
#
# 44 GLU HN 54 GLU O 1.8 2.4
&rst
ixpk= 0, nxpk= 0, iat= 670, 818, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90, &end
#
# 54 GLU HN 44 GLU O 1.8 2.4
&rst
ixpk= 0, nxpk= 0, iat= 805, 683, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90, &end
#
# 13 HIS HN 59 PHE O 1.8 2.4
&rst
ixpk= 0, nxpk= 0, iat= 162, 891, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90, &end
#
# 59 PHE HN 13 HIS O 1.8 2.4
&rst
ixpk= 0, nxpk= 0, iat= 873, 177, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90, &end
#
# 15 VAL HN 57 VAL O 1.8 2.4
&rst
ixpk= 0, nxpk= 0, iat= 190, 856, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90, &end
#
# 57 VAL HN 15 VAL O 1.8 2.4
&rst
ixpk= 0, nxpk= 0, iat= 842, 204, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90, &end
#
# 17 MET HN 55 ALA O 1.8 2.4
&rst
ixpk= 0, nxpk= 0, iat= 223, 828, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90, &end
#
# 55 ALA HN 17 MET O 1.8 2.4
&rst
ixpk= 0, nxpk= 0, iat= 820, 238, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90, &end
#
# 14 CYS HN 86 ASN O 1.8 2.4
&rst
ixpk= 0, nxpk= 0, iat= 179,1320, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90, &end
#
# 86 ASN HN 14 CYS O 1.8 2.4
&rst
ixpk= 0, nxpk= 0, iat=1308, 188, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90, &end
#
# 16 HIS HN 84 PHE O 1.8 2.4
&rst
ixpk= 0, nxpk= 0, iat= 206,1287, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90, &end
#
# 84 PHE HN 16 HIS O 1.8 2.4
&rst
ixpk= 0, nxpk= 0, iat=1269, 221, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90, &end
#
# 18 ARG HN 82 GLU O 1.8 2.4
&rst
ixpk= 0, nxpk= 0, iat= 240,1248, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90, &end
#
# 82 GLU HN 18 ARG O 1.8 2.4
&rst
ixpk= 0, nxpk= 0, iat=1235, 262, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90, &end
#
# 29 ILE HN 25 THR O 1.8 2.4
&rst
ixpk= 0, nxpk= 0, iat= 412, 369, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90, &end
#
# 30 TYR HN 26 GLU O 1.8 2.4
&rst
ixpk= 0, nxpk= 0, iat= 431, 384, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90, &end
#
# 32 PHE HN 28 ASP O 1.8 2.4
&rst
ixpk= 0, nxpk= 0, iat= 466, 410, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90, &end
#
# 33 PHE HN 29 ILE O 1.8 2.4
&rst
ixpk= 0, nxpk= 0, iat= 486, 429, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90, &end
#
# 64 GLU HN 60 ALA O 1.8 2.4
&rst
ixpk= 0, nxpk= 0, iat= 949, 901, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90, &end
#
# 65 ALA HN 61 THR O 1.8 2.4
&rst
ixpk= 0, nxpk= 0, iat= 964, 915, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90, &end
#
# 66 VAL HN 62 HIS O 1.8 2.4
&rst
ixpk= 0, nxpk= 0, iat= 974, 932, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90, &end
#
# 67 ALA HN 63 GLU O 1.8 2.4
&rst
ixpk= 0, nxpk= 0, iat= 990, 947, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90, &end
#
# 68 ALA HN 64 GLU O 1.8 2.4
&rst
ixpk= 0, nxpk= 0, iat=1000, 962, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90, &end
#
# 69 MET HN 65 ALA O 1.8 2.4
&rst
ixpk= 0, nxpk= 0, iat=1010, 972, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90, &end
#
# 42 HIS N 56 ASP O 2.4 3.4
&rst
ixpk= 0, nxpk= 0, iat= 633, 840, r1= 1.90, r2= 2.40, r3= 3.40, r4= 3.90, &end
#
# 56 ASP N 42 HIS O 2.4 3.4
&rst
ixpk= 0, nxpk= 0, iat= 829, 649, r1= 1.90, r2= 2.40, r3= 3.40, r4= 3.90, &end
#
# 44 GLU N 54 GLU O 2.4 3.4
&rst
ixpk= 0, nxpk= 0, iat= 669, 818, r1= 1.90, r2= 2.40, r3= 3.40, r4= 3.90, &end
#
# 54 GLU N 44 GLU O 2.4 3.4
&rst
ixpk= 0, nxpk= 0, iat= 804, 683, r1= 1.90, r2= 2.40, r3= 3.40, r4= 3.90, &end
#
# 13 HIS N 59 PHE O 2.4 3.4
&rst
ixpk= 0, nxpk= 0, iat= 161, 891, r1= 1.90, r2= 2.40, r3= 3.40, r4= 3.90, &end
#
# 59 PHE N 13 HIS O 2.4 3.4
&rst
ixpk= 0, nxpk= 0, iat= 872, 177, r1= 1.90, r2= 2.40, r3= 3.40, r4= 3.90, &end
#
# 15 VAL N 57 VAL O 2.4 3.4
&rst
ixpk= 0, nxpk= 0, iat= 189, 856, r1= 1.90, r2= 2.40, r3= 3.40, r4= 3.90, &end
#
# 57 VAL N 15 VAL O 2.4 3.4
&rst
ixpk= 0, nxpk= 0, iat= 841, 204, r1= 1.90, r2= 2.40, r3= 3.40, r4= 3.90, &end
#
# 17 MET N 55 ALA O 2.4 3.4
&rst
ixpk= 0, nxpk= 0, iat= 222, 828, r1= 1.90, r2= 2.40, r3= 3.40, r4= 3.90, &end
#
# 55 ALA N 17 MET O 2.4 3.4
&rst
ixpk= 0, nxpk= 0, iat= 819, 238, r1= 1.90, r2= 2.40, r3= 3.40, r4= 3.90, &end
#
# 14 CYS N 86 ASN O 2.4 3.4
&rst
ixpk= 0, nxpk= 0, iat= 178,1320, r1= 1.90, r2= 2.40, r3= 3.40, r4= 3.90, &end
#
# 86 ASN N 14 CYS O 2.4 3.4
&rst
ixpk= 0, nxpk= 0, iat=1307, 188, r1= 1.90, r2= 2.40, r3= 3.40, r4= 3.90, &end
#
# 16 HIS N 84 PHE O 2.4 3.4
&rst
ixpk= 0, nxpk= 0, iat= 205,1287, r1= 1.90, r2= 2.40, r3= 3.40, r4= 3.90, &end
#
# 84 PHE N 16 HIS O 2.4 3.4
&rst
ixpk= 0, nxpk= 0, iat=1268, 221, r1= 1.90, r2= 2.40, r3= 3.40, r4= 3.90, &end
#
# 18 ARG N 82 GLU O 2.4 3.4
&rst
ixpk= 0, nxpk= 0, iat= 239,1248, r1= 1.90, r2= 2.40, r3= 3.40, r4= 3.90, &end
#
# 82 GLU N 18 ARG O 2.4 3.4
&rst
ixpk= 0, nxpk= 0, iat=1234, 262, r1= 1.90, r2= 2.40, r3= 3.40, r4= 3.90, &end
#
# 29 ILE N 25 THR O 2.4 3.4
&rst
ixpk= 0, nxpk= 0, iat= 411, 369, r1= 1.90, r2= 2.40, r3= 3.40, r4= 3.90, &end
#
# 30 TYR N 26 GLU O 2.4 3.4
&rst
ixpk= 0, nxpk= 0, iat= 430, 384, r1= 1.90, r2= 2.40, r3= 3.40, r4= 3.90, &end
#
# 32 PHE N 28 ASP O 2.4 3.4
&rst
ixpk= 0, nxpk= 0, iat= 465, 410, r1= 1.90, r2= 2.40, r3= 3.40, r4= 3.90, &end
#
# 33 PHE N 29 ILE O 2.4 3.4
&rst
ixpk= 0, nxpk= 0, iat= 485, 429, r1= 1.90, r2= 2.40, r3= 3.40, r4= 3.90, &end
#
# 64 GLU N 60 ALA O 2.4 3.4
&rst
ixpk= 0, nxpk= 0, iat= 948, 901, r1= 1.90, r2= 2.40, r3= 3.40, r4= 3.90, &end
#
# 65 ALA N 61 THR O 2.4 3.4
&rst
ixpk= 0, nxpk= 0, iat= 963, 915, r1= 1.90, r2= 2.40, r3= 3.40, r4= 3.90, &end
#
# 66 VAL N 62 HIS O 2.4 3.4
&rst
ixpk= 0, nxpk= 0, iat= 973, 932, r1= 1.90, r2= 2.40, r3= 3.40, r4= 3.90, &end
#
# 67 ALA N 63 GLU O 2.4 3.4
&rst
ixpk= 0, nxpk= 0, iat= 989, 947, r1= 1.90, r2= 2.40, r3= 3.40, r4= 3.90, &end
#
# 68 ALA N 64 GLU O 2.4 3.4
&rst
ixpk= 0, nxpk= 0, iat= 999, 962, r1= 1.90, r2= 2.40, r3= 3.40, r4= 3.90, &end
#
# 69 MET N 65 ALA O 2.4 3.4
&rst
ixpk= 0, nxpk= 0, iat=1009, 972, r1= 1.90, r2= 2.40, r3= 3.40, r4= 3.90, &end
#
# 106 RADE H8 106 RADE H1' 2.50
&rst
ixpk= 0, nxpk= 0, iat=1573,1570, r1= 1.30, r2= 1.80, r3= 2.50, r4= 3.00,
rk2=20.0, rk3=20.0, ir6=1, ialtd=0,
&end
#
# 106 RADE H8 106 RADE H2' 5.00
&rst
ixpk= 0, nxpk= 0, iat=1573,1588, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 106 RADE H8 106 RADE H4' 5.00
&rst
ixpk= 0, nxpk= 0, iat=1573,1567, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 106 RADE H8 106 RADE Q5' 5.50
&rst
ixpk= 0, nxpk= 0, iat=1573, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1564,1565,
&end
#
# 106 RADE H2 106 RADE H1' 5.50
&rst
ixpk= 0, nxpk= 0, iat=1582,1570, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 106 RADE H1' 106 RADE H2' 4.00
&rst
ixpk= 0, nxpk= 0, iat=1570,1588, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 106 RADE H1' 106 RADE H3' 4.00
&rst
ixpk= 0, nxpk= 0, iat=1570,1586, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 106 RADE H1' 106 RADE H4' 4.00
&rst
ixpk= 0, nxpk= 0, iat=1570,1567, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 106 RADE H1' 106 RADE Q5' 5.50
&rst
ixpk= 0, nxpk= 0, iat=1570, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1564,1565,
&end
#
# 106 RADE H3' 106 RADE H4' 4.00
&rst
ixpk= 0, nxpk= 0, iat=1586,1567, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 106 RADE H4' 106 RADE Q5' 4.00
&rst
ixpk= 0, nxpk= 0, iat=1567, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2=1564,1565,
&end
#
# 106 RADE H1' 107 RGUA H8 5.00
&rst
ixpk= 0, nxpk= 0, iat=1570,1606, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 106 RADE Q5' 107 RGUA H8 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1606, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1564,1565,
&end
#
# 107 RGUA H1' 106 RADE H1' 4.50
&rst
ixpk= 0, nxpk= 0, iat=1603,1570, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 107 RGUA Q5' 106 RADE H1' 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1570, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1597,1598,
&end
#
# 107 RGUA H8 106 RADE H4' 5.50
&rst
ixpk= 0, nxpk= 0, iat=1606,1567, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 107 RGUA H8 107 RGUA H1' 4.00
&rst
ixpk= 0, nxpk= 0, iat=1606,1603, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 107 RGUA H8 107 RGUA H2' 4.00
&rst
ixpk= 0, nxpk= 0, iat=1606,1622, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 107 RGUA H8 107 RGUA H3' 4.00
&rst
ixpk= 0, nxpk= 0, iat=1606,1620, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 107 RGUA H8 107 RGUA H4' 5.00
&rst
ixpk= 0, nxpk= 0, iat=1606,1600, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 107 RGUA H8 107 RGUA Q5' 5.00
&rst
ixpk= 0, nxpk= 0, iat=1606, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2=1597,1598,
&end
#
# 107 RGUA H1' 107 RGUA H2' 4.00
&rst
ixpk= 0, nxpk= 0, iat=1603,1622, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 107 RGUA H1' 107 RGUA H3' 4.50
&rst
ixpk= 0, nxpk= 0, iat=1603,1620, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 107 RGUA H1' 107 RGUA H4' 4.00
&rst
ixpk= 0, nxpk= 0, iat=1603,1600, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 107 RGUA H1' 107 RGUA Q5' 5.00
&rst
ixpk= 0, nxpk= 0, iat=1603, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2=1597,1598,
&end
#
# 107 RGUA H3' 107 RGUA H4' 4.00
&rst
ixpk= 0, nxpk= 0, iat=1620,1600, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 107 RGUA H3' 107 RGUA Q5' 4.50
&rst
ixpk= 0, nxpk= 0, iat=1620, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1597,1598,
&end
#
# 107 RGUA H4' 107 RGUA Q5' 4.00
&rst
ixpk= 0, nxpk= 0, iat=1600, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2=1597,1598,
&end
#
# 107 RGUA H2' 108 RGUA H8 5.00
&rst
ixpk= 0, nxpk= 0, iat=1622,1640, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 107 RGUA H3' 108 RGUA H8 5.00
&rst
ixpk= 0, nxpk= 0, iat=1620,1640, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 107 RGUA H4' 108 RGUA H8 5.50
&rst
ixpk= 0, nxpk= 0, iat=1600,1640, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 107 RGUA Q5' 108 RGUA H8 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1640, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1597,1598,
&end
#
# 108 RGUA H2' 107 RGUA H1' 5.50
&rst
ixpk= 0, nxpk= 0, iat=1656,1603, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 108 RGUA H4' 107 RGUA H1' 5.00
&rst
ixpk= 0, nxpk= 0, iat=1634,1603, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 108 RGUA Q5' 107 RGUA H1' 4.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1603, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1=1631,1632,
&end
#
# 108 RGUA H8 108 RGUA H1' 4.00
&rst
ixpk= 0, nxpk= 0, iat=1640,1637, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 108 RGUA H8 108 RGUA H2' 3.00
&rst
ixpk= 0, nxpk= 0, iat=1640,1656, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 108 RGUA H8 108 RGUA H3' 3.00
&rst
ixpk= 0, nxpk= 0, iat=1640,1654, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 108 RGUA H8 108 RGUA H4' 5.00
&rst
ixpk= 0, nxpk= 0, iat=1640,1634, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 108 RGUA H8 108 RGUA Q5' 5.50
&rst
ixpk= 0, nxpk= 0, iat=1640, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1631,1632,
&end
#
# 108 RGUA H1' 108 RGUA H2' 4.00
&rst
ixpk= 0, nxpk= 0, iat=1637,1656, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 108 RGUA H1' 108 RGUA H4' 4.50
&rst
ixpk= 0, nxpk= 0, iat=1637,1634, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 108 RGUA H1' 108 RGUA Q5' 5.50
&rst
ixpk= 0, nxpk= 0, iat=1637, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1631,1632,
&end
#
# 108 RGUA H2' 108 RGUA H3' 4.00
&rst
ixpk= 0, nxpk= 0, iat=1656,1654, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 108 RGUA H2' 108 RGUA H4' 5.00
&rst
ixpk= 0, nxpk= 0, iat=1656,1634, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 108 RGUA H2' 108 RGUA Q5' 5.50
&rst
ixpk= 0, nxpk= 0, iat=1656, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1631,1632,
&end
#
# 108 RGUA H3' 108 RGUA H4' 4.00
&rst
ixpk= 0, nxpk= 0, iat=1654,1634, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 108 RGUA H3' 108 RGUA Q5' 4.50
&rst
ixpk= 0, nxpk= 0, iat=1654, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1631,1632,
&end
#
# 108 RGUA H4' 108 RGUA Q5' 4.50
&rst
ixpk= 0, nxpk= 0, iat=1634, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1631,1632,
&end
#
# 108 RGUA H1' 109 RGUA H2' 5.00
&rst
ixpk= 0, nxpk= 0, iat=1637,1690, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 108 RGUA H1' 109 RGUA H3' 5.50
&rst
ixpk= 0, nxpk= 0, iat=1637,1688, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 108 RGUA H1' 109 RGUA H4' 5.50
&rst
ixpk= 0, nxpk= 0, iat=1637,1668, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 108 RGUA H2' 109 RGUA H2' 5.00
&rst
ixpk= 0, nxpk= 0, iat=1656,1690, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 108 RGUA H2' 109 RGUA H3' 5.50
&rst
ixpk= 0, nxpk= 0, iat=1656,1688, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 108 RGUA H2' 109 RGUA H8 5.50
&rst
ixpk= 0, nxpk= 0, iat=1656,1674, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 108 RGUA H3' 109 RGUA H2' 4.50
&rst
ixpk= 0, nxpk= 0, iat=1654,1690, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 108 RGUA H3' 109 RGUA H3' 4.50
&rst
ixpk= 0, nxpk= 0, iat=1654,1688, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 108 RGUA H3' 109 RGUA H8 5.00
&rst
ixpk= 0, nxpk= 0, iat=1654,1674, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 108 RGUA H4' 109 RGUA H1' 5.50
&rst
ixpk= 0, nxpk= 0, iat=1634,1671, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 108 RGUA H4' 109 RGUA H2' 5.50
&rst
ixpk= 0, nxpk= 0, iat=1634,1690, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 108 RGUA H4' 109 RGUA H3' 5.50
&rst
ixpk= 0, nxpk= 0, iat=1634,1688, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 108 RGUA H4' 109 RGUA H4' 4.50
&rst
ixpk= 0, nxpk= 0, iat=1634,1668, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 108 RGUA H4' 109 RGUA H8 5.50
&rst
ixpk= 0, nxpk= 0, iat=1634,1674, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 108 RGUA Q5' 109 RGUA H1' 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1671, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1631,1632,
&end
#
# 108 RGUA Q5' 109 RGUA H2' 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1690, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1631,1632,
&end
#
# 108 RGUA Q5' 109 RGUA H3' 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1688, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1631,1632,
&end
#
# 108 RGUA Q5' 109 RGUA H4' 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1668, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1631,1632,
&end
#
# 108 RGUA Q5' 109 RGUA H8 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1674, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1631,1632,
&end
#
# 109 RGUA H8 109 RGUA H1' 3.00
&rst
ixpk= 0, nxpk= 0, iat=1674,1671, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 109 RGUA H8 109 RGUA H2' 4.50
&rst
ixpk= 0, nxpk= 0, iat=1674,1690, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 109 RGUA H8 109 RGUA H3' 5.00
&rst
ixpk= 0, nxpk= 0, iat=1674,1688, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 109 RGUA H8 109 RGUA H4' 5.00
&rst
ixpk= 0, nxpk= 0, iat=1674,1668, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 109 RGUA H8 109 RGUA Q5' 5.50
&rst
ixpk= 0, nxpk= 0, iat=1674, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1665,1666,
&end
#
# 109 RGUA H1' 109 RGUA H2' 4.00
&rst
ixpk= 0, nxpk= 0, iat=1671,1690, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 109 RGUA H1' 109 RGUA H3' 5.00
&rst
ixpk= 0, nxpk= 0, iat=1671,1688, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 109 RGUA H1' 109 RGUA H4' 4.50
&rst
ixpk= 0, nxpk= 0, iat=1671,1668, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 109 RGUA H1' 109 RGUA Q5' 5.50
&rst
ixpk= 0, nxpk= 0, iat=1671, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1665,1666,
&end
#
# 109 RGUA H2' 109 RGUA H3' 4.00
&rst
ixpk= 0, nxpk= 0, iat=1690,1688, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 109 RGUA H2' 109 RGUA H4' 4.50
&rst
ixpk= 0, nxpk= 0, iat=1690,1668, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 109 RGUA H2' 109 RGUA Q5' 5.00
&rst
ixpk= 0, nxpk= 0, iat=1690, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2=1665,1666,
&end
#
# 109 RGUA H3' 109 RGUA H4' 4.50
&rst
ixpk= 0, nxpk= 0, iat=1688,1668, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 109 RGUA H3' 109 RGUA Q5' 5.00
&rst
ixpk= 0, nxpk= 0, iat=1688, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2=1665,1666,
&end
#
# 109 RGUA Q5' 109 RGUA H4' 4.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1668, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1=1665,1666,
&end
#
# 109 RGUA H8 110 RADE H8 5.50
&rst
ixpk= 0, nxpk= 0, iat=1674,1708, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 109 RGUA H8 111 URA H5 5.50
&rst
ixpk= 0, nxpk= 0, iat=1674,1743, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 109 RGUA H8 110 RADE H2' 5.50
&rst
ixpk= 0, nxpk= 0, iat=1674,1723, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 109 RGUA H8 110 RADE H3' 5.50
&rst
ixpk= 0, nxpk= 0, iat=1674,1721, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 109 RGUA H8 110 RADE H4' 5.50
&rst
ixpk= 0, nxpk= 0, iat=1674,1702, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 109 RGUA H1' 110 RADE H8 5.50
&rst
ixpk= 0, nxpk= 0, iat=1671,1708, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 109 RGUA H1' 111 URA H5 5.50
&rst
ixpk= 0, nxpk= 0, iat=1671,1743, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 109 RGUA H2' 110 RADE H4' 5.00
&rst
ixpk= 0, nxpk= 0, iat=1690,1702, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 109 RGUA H2' 110 RADE Q5' 5.50
&rst
ixpk= 0, nxpk= 0, iat=1690, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1699,1700,
&end
#
# 109 RGUA H2' 110 RADE H8 5.50
&rst
ixpk= 0, nxpk= 0, iat=1690,1708, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 109 RGUA H2' 111 URA H5 5.50
&rst
ixpk= 0, nxpk= 0, iat=1690,1743, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 109 RGUA H3' 110 RADE H4' 5.50
&rst
ixpk= 0, nxpk= 0, iat=1688,1702, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 109 RGUA H3' 110 RADE Q5' 5.50
&rst
ixpk= 0, nxpk= 0, iat=1688, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1699,1700,
&end
#
# 109 RGUA H3' 110 RADE H8 5.50
&rst
ixpk= 0, nxpk= 0, iat=1688,1708, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 109 RGUA H4' 110 RADE H8 5.50
&rst
ixpk= 0, nxpk= 0, iat=1668,1708, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 110 RADE H8 110 RADE H1' 4.00
&rst
ixpk= 0, nxpk= 0, iat=1708,1705, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 110 RADE H8 110 RADE H2' 4.00
&rst
ixpk= 0, nxpk= 0, iat=1708,1723, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 110 RADE H8 110 RADE H3' 4.00
&rst
ixpk= 0, nxpk= 0, iat=1708,1721, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 110 RADE H8 110 RADE H4' 5.00
&rst
ixpk= 0, nxpk= 0, iat=1708,1702, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 110 RADE H8 110 RADE Q5' 5.00
&rst
ixpk= 0, nxpk= 0, iat=1708, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2=1699,1700,
&end
#
# 110 RADE H1' 110 RADE H2' 4.00
&rst
ixpk= 0, nxpk= 0, iat=1705,1723, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 110 RADE H1' 110 RADE H3' 4.00
&rst
ixpk= 0, nxpk= 0, iat=1705,1721, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 110 RADE H1' 110 RADE H4' 4.00
&rst
ixpk= 0, nxpk= 0, iat=1705,1702, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 110 RADE H1' 110 RADE Q5' 5.00
&rst
ixpk= 0, nxpk= 0, iat=1705, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2=1699,1700,
&end
#
# 110 RADE H2' 110 RADE H4' 4.00
&rst
ixpk= 0, nxpk= 0, iat=1723,1702, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 110 RADE H2' 110 RADE Q5' 4.00
&rst
ixpk= 0, nxpk= 0, iat=1723, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2=1699,1700,
&end
#
# 110 RADE H3' 110 RADE H4' 4.00
&rst
ixpk= 0, nxpk= 0, iat=1721,1702, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 110 RADE H3' 110 RADE Q5' 4.00
&rst
ixpk= 0, nxpk= 0, iat=1721, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2=1699,1700,
&end
#
# 110 RADE H4' 110 RADE Q5' 4.00
&rst
ixpk= 0, nxpk= 0, iat=1702, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2=1699,1700,
&end
#
# 110 RADE H8 111 URA H3' 5.50
&rst
ixpk= 0, nxpk= 0, iat=1708,1751, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 110 RADE H8 111 URA H5 5.50
&rst
ixpk= 0, nxpk= 0, iat=1708,1743, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 110 RADE H8 111 URA H6 5.50
&rst
ixpk= 0, nxpk= 0, iat=1708,1741, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 110 RADE H2 111 URA H1' 5.00
&rst
ixpk= 0, nxpk= 0, iat=1717,1738, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 110 RADE H2 111 URA H5 5.50
&rst
ixpk= 0, nxpk= 0, iat=1717,1743, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 110 RADE H2 111 URA H6 5.50
&rst
ixpk= 0, nxpk= 0, iat=1717,1741, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 110 RADE H2 111 URA H2' 5.50
&rst
ixpk= 0, nxpk= 0, iat=1717,1753, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 110 RADE H1' 111 URA H1' 5.00
&rst
ixpk= 0, nxpk= 0, iat=1705,1738, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 110 RADE H1' 111 URA H2' 5.50
&rst
ixpk= 0, nxpk= 0, iat=1705,1753, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 110 RADE H1' 111 URA H3' 5.00
&rst
ixpk= 0, nxpk= 0, iat=1705,1751, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 110 RADE H1' 111 URA H5 5.50
&rst
ixpk= 0, nxpk= 0, iat=1705,1743, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 110 RADE H1' 111 URA H6 5.50
&rst
ixpk= 0, nxpk= 0, iat=1705,1741, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 110 RADE H4' 111 URA H5 5.50
&rst
ixpk= 0, nxpk= 0, iat=1702,1743, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 110 RADE H4' 111 URA H6 5.50
&rst
ixpk= 0, nxpk= 0, iat=1702,1741, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 111 URA H6 111 URA H5 3.00
&rst
ixpk= 0, nxpk= 0, iat=1741,1743, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 111 URA H6 111 URA H1' 4.00
&rst
ixpk= 0, nxpk= 0, iat=1741,1738, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 111 URA H6 111 URA H2' 3.50
&rst
ixpk= 0, nxpk= 0, iat=1741,1753, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 111 URA H6 111 URA H3' 3.50
&rst
ixpk= 0, nxpk= 0, iat=1741,1751, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 111 URA H6 111 URA H4' 5.00
&rst
ixpk= 0, nxpk= 0, iat=1741,1735, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 111 URA H6 111 URA Q5' 4.50
&rst
ixpk= 0, nxpk= 0, iat=1741, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1732,1733,
&end
#
# 111 URA H5 111 URA H1' 5.50
&rst
ixpk= 0, nxpk= 0, iat=1743,1738, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 111 URA H5 111 URA H2' 5.00
&rst
ixpk= 0, nxpk= 0, iat=1743,1753, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 111 URA H5 111 URA H3' 5.00
&rst
ixpk= 0, nxpk= 0, iat=1743,1751, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 111 URA H5 111 URA H4' 5.50
&rst
ixpk= 0, nxpk= 0, iat=1743,1735, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 111 URA H5 111 URA Q5' 4.50
&rst
ixpk= 0, nxpk= 0, iat=1743, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1732,1733,
&end
#
# 111 URA H1' 111 URA H2' 4.00
&rst
ixpk= 0, nxpk= 0, iat=1738,1753, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 111 URA H1' 111 URA H3' 4.00
&rst
ixpk= 0, nxpk= 0, iat=1738,1751, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 111 URA H1' 111 URA H4' 5.50
&rst
ixpk= 0, nxpk= 0, iat=1738,1735, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 107 RGUA H1 20 LEU O 1.8 2.4
&rst
ixpk= 0, nxpk= 0, iat=1612, 288, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90,
rk2=20.0, rk3=20.0, ir6=1, ialtd=0,
&end
#
# 107 RGUA N1 20 LEU O 2.4 3.4
&rst
ixpk= 0, nxpk= 0, iat=1611, 288, r1= 1.90, r2= 2.40, r3= 3.40, r4= 3.90, &end
#
# 19 GLY HN 109 RGUA O6 1.8 2.4
&rst
ixpk= 0, nxpk= 0, iat= 264,1678, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90, &end
#
# 19 GLY N 109 RGUA O6 2.4 3.4
&rst
ixpk= 0, nxpk= 0, iat= 263,1678, r1= 1.90, r2= 2.40, r3= 3.40, r4= 3.90, &end
#
# 106 RADE H2 22 TYR HD 4.00
&rst
ixpk= 0, nxpk= 0, iat=1582, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
rk2=20.0, rk3=20.0, ir6=1, ialtd=0,
igr2= 312, 321,
&end
#
# 106 RADE H2 22 TYR HE 4.00
&rst
ixpk= 0, nxpk= 0, iat=1582, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2= 314, 319,
&end
#
# 106 RADE H2 22 TYR QB 5.50
&rst
ixpk= 0, nxpk= 0, iat=1582, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 308, 309,
&end
#
# 106 RADE H2 50 ARG QG 4.50
&rst
ixpk= 0, nxpk= 0, iat=1582, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 751, 752,
&end
#
# 106 RADE H2 50 ARG QD 4.50
&rst
ixpk= 0, nxpk= 0, iat=1582, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 754, 755,
&end
#
# 106 RADE H8 22 TYR HE 4.00
&rst
ixpk= 0, nxpk= 0, iat=1573, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2= 314, 319,
&end
#
# 106 RADE H1' 22 TYR HE 4.50
&rst
ixpk= 0, nxpk= 0, iat=1570, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 314, 319,
&end
#
# 106 RADE H2' 22 TYR HE 5.50
&rst
ixpk= 0, nxpk= 0, iat=1588, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 314, 319,
&end
#
# 106 RADE H4' 22 TYR HE 4.50
&rst
ixpk= 0, nxpk= 0, iat=1567, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 314, 319,
&end
#
# 106 RADE Q5' 22 TYR HE 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1564,1565,
igr2= 314, 319,
&end
#
# 106 RADE Q5' 50 ARG QG 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1564,1565,
igr2= 751, 752,
&end
#
# 107 RGUA H8 22 TYR HD 5.50
&rst
ixpk= 0, nxpk= 0, iat=1606, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 312, 321,
&end
#
# 107 RGUA H8 22 TYR HE 4.00
&rst
ixpk= 0, nxpk= 0, iat=1606, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2= 314, 319,
&end
#
# 107 RGUA H1' 22 TYR HE 4.50
&rst
ixpk= 0, nxpk= 0, iat=1603, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 314, 319,
&end
#
# 107 RGUA H1 109 RGUA H1 5.50
&rst
ixpk= 0, nxpk= 0, iat=1612,1680, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 107 RGUA H1 21 PRO QB 4.50
&rst
ixpk= 0, nxpk= 0, iat=1612, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 297, 298,
&end
#
# 107 RGUA H1 21 PRO QD 4.50
&rst
ixpk= 0, nxpk= 0, iat=1612, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 291, 292,
&end
#
# 107 RGUA H1 21 PRO QG 4.50
&rst
ixpk= 0, nxpk= 0, iat=1612, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 294, 295,
&end
#
# 107 RGUA H1 22 TYR QB 4.50
&rst
ixpk= 0, nxpk= 0, iat=1612, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 308, 309,
&end
#
# 108 RGUA H8 80 TYR HD 4.50
&rst
ixpk= 0, nxpk= 0, iat=1640, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1203,1212,
&end
#
# 108 RGUA H8 80 TYR HE 4.50
&rst
ixpk= 0, nxpk= 0, iat=1640, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1205,1210,
&end
#
# 108 RGUA H1' 80 TYR HE 4.50
&rst
ixpk= 0, nxpk= 0, iat=1637, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1205,1210,
&end
#
# 108 RGUA H1 79 ARG QB 4.00
&rst
ixpk= 0, nxpk= 0, iat=1646, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2=1175,1176,
&end
#
# 108 RGUA H1 79 ARG QG 4.00
&rst
ixpk= 0, nxpk= 0, iat=1646, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2=1178,1179,
&end
#
# 108 RGUA H1 80 TYR HN 4.00
&rst
ixpk= 0, nxpk= 0, iat=1646,1195, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 108 RGUA H1 80 TYR HB2 4.50
&rst
ixpk= 0, nxpk= 0, iat=1646,1199, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 108 RGUA H1 80 TYR HB3 4.50
&rst
ixpk= 0, nxpk= 0, iat=1646,1200, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 108 RGUA H1 80 TYR HD 4.50
&rst
ixpk= 0, nxpk= 0, iat=1646, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1203,1212,
&end
#
# 108 RGUA H1 80 TYR HE 4.50
&rst
ixpk= 0, nxpk= 0, iat=1646, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1205,1210,
&end
#
# 108 RGUA H1 81 ILE HA 4.50
&rst
ixpk= 0, nxpk= 0, iat=1646,1218, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 108 RGUA H1 81 ILE QD1 4.50
&rst
ixpk= 0, nxpk= 0, iat=1646, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2=1229,1230,1231,
&end
#
# 108 RGUA H1 81 ILE QG2 4.50
&rst
ixpk= 0, nxpk= 0, iat=1646, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2=1222,1223,1224,
&end
#
# 108 RGUA H1 82 GLU QG 4.00
&rst
ixpk= 0, nxpk= 0, iat=1646, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2=1242,1243,
&end
#
# 109 RGUA H1 19 GLY HN 4.50
&rst
ixpk= 0, nxpk= 0, iat=1680, 264, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 109 RGUA H1 18 ARG HE 4.50
&rst
ixpk= 0, nxpk= 0, iat=1680, 253, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 110 RADE H8 84 PHE HD 4.50
&rst
ixpk= 0, nxpk= 0, iat=1708, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1277,1285,
&end
#
# 110 RADE H8 84 PHE HE 4.50
&rst
ixpk= 0, nxpk= 0, iat=1708, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1279,1283,
&end
#
# 110 RADE H8 73 ARG QB 4.50
&rst
ixpk= 0, nxpk= 0, iat=1708, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1076,1077,
&end
#
# 110 RADE H8 73 ARG QD 4.50
&rst
ixpk= 0, nxpk= 0, iat=1708, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1082,1083,
&end
#
# 110 RADE H2 84 PHE HZ 4.50
&rst
ixpk= 0, nxpk= 0, iat=1717,1281, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 110 RADE H2 84 PHE HD 4.50
&rst
ixpk= 0, nxpk= 0, iat=1717, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1277,1285,
&end
#
# 110 RADE H2 84 PHE HE 4.50
&rst
ixpk= 0, nxpk= 0, iat=1717, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1279,1283,
&end
#
# 110 RADE H2 73 ARG HA 5.50
&rst
ixpk= 0, nxpk= 0, iat=1717,1074, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 110 RADE H2 73 ARG QB 4.50
&rst
ixpk= 0, nxpk= 0, iat=1717, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1076,1077,
&end
#
# 110 RADE H2 73 ARG QG 4.50
&rst
ixpk= 0, nxpk= 0, iat=1717, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1079,1080,
&end
#
# 110 RADE H2 73 ARG QD 4.50
&rst
ixpk= 0, nxpk= 0, iat=1717, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1082,1083,
&end
#
# 110 RADE H1' 84 PHE HD 4.50
&rst
ixpk= 0, nxpk= 0, iat=1705, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1277,1285,
&end
#
# 110 RADE H1' 73 ARG QD 4.50
&rst
ixpk= 0, nxpk= 0, iat=1705, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1082,1083,
&end
#
# 111 URA H6 84 PHE HD 4.50
&rst
ixpk= 0, nxpk= 0, iat=1741, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1277,1285,
&end
#
# 111 URA H5 84 PHE HZ 4.50
&rst
ixpk= 0, nxpk= 0, iat=1743,1281, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 111 URA H5 84 PHE HD 4.50
&rst
ixpk= 0, nxpk= 0, iat=1743, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1277,1285,
&end
#
# 111 URA H5 84 PHE HE 4.50
&rst
ixpk= 0, nxpk= 0, iat=1743, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1279,1283,
&end
#
# 111 URA H1' 84 PHE HZ 4.00
&rst
ixpk= 0, nxpk= 0, iat=1738,1281, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 111 URA H1' 84 PHE HD 5.50
&rst
ixpk= 0, nxpk= 0, iat=1738, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1277,1285,
&end
#
# 111 URA H1' 84 PHE HE 5.00
&rst
ixpk= 0, nxpk= 0, iat=1738, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2=1279,1283,
&end
#
# 111 URA H2' 84 PHE HZ 4.50
&rst
ixpk= 0, nxpk= 0, iat=1753,1281, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 111 URA H2' 84 PHE HD 4.00
&rst
ixpk= 0, nxpk= 0, iat=1753, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2=1277,1285,
&end
#
# 111 URA H2' 84 PHE HE 4.50
&rst
ixpk= 0, nxpk= 0, iat=1753, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1279,1283,
&end
#
# 111 URA H3' 84 PHE HD 5.00
&rst
ixpk= 0, nxpk= 0, iat=1751, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2=1277,1285,
&end
#
# 111 URA Q5' 84 PHE HE 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1732,1733,
igr2=1279,1283,
&end
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