NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type | subtype | subsubtype |
|
|
499625 |
2kxn   |
16920 | cing | 1-original | 1 | AMBER | distance | NOE | simple |
#
# 46 ALA H 67 PHE HA 4.09
&rst
ixpk= 0, nxpk= 0, iat= 808,1149, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59,
rk2=50, rk3=50, ir6=1, ialtd=0,
&end
#
# 45 ILE HA 46 ALA H 3.22
&rst
ixpk= 0, nxpk= 0, iat= 791, 808, r1= 1.30, r2= 1.80, r3= 3.22, r4= 3.72, &end
#
# 46 ALA H 66 TYR HB3 4.73
&rst
ixpk= 0, nxpk= 0, iat= 808,1131, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23, &end
#
# 46 ALA H 68 GLU HG3 4.52
&rst
ixpk= 0, nxpk= 0, iat= 808,1175, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02, &end
#
# 45 ILE QD1 46 ALA H 4.74
&rst
ixpk= 0, nxpk= 0, iat= -1, 808, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
igr1= 802, 803, 804,
&end
#
# 45 ILE HB 46 ALA H 4.79
&rst
ixpk= 0, nxpk= 0, iat= 793, 808, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29, &end
#
# 46 ALA H 66 TYR H 5.03
&rst
ixpk= 0, nxpk= 0, iat= 808,1126, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53, &end
#
# 85 LEU HG 86 ASP H 4.61
&rst
ixpk= 0, nxpk= 0, iat=1424,1436, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11, &end
#
# 85 LEU H 86 ASP H 4.40
&rst
ixpk= 0, nxpk= 0, iat=1417,1436, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90, &end
#
# 86 ASP H 87 GLY HA2 4.88
&rst
ixpk= 0, nxpk= 0, iat=1436,1450, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38, &end
#
# 86 ASP H 86 ASP HB3 4.14
&rst
ixpk= 0, nxpk= 0, iat=1436,1441, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64, &end
#
# 85 LEU HB3 86 ASP H 4.38
&rst
ixpk= 0, nxpk= 0, iat=1422,1436, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88, &end
#
# 85 LEU HA 86 ASP H 3.34
&rst
ixpk= 0, nxpk= 0, iat=1419,1436, r1= 1.30, r2= 1.80, r3= 3.34, r4= 3.84, &end
#
# 85 LEU HB2 86 ASP H 4.27
&rst
ixpk= 0, nxpk= 0, iat=1421,1436, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77, &end
#
# 21 LEU H 21 LEU QD1 4.69
&rst
ixpk= 0, nxpk= 0, iat= 402, -1, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13,
igr2= 411, 412, 413,
&end
#
# 21 LEU H 65 VAL QG2 4.52
&rst
ixpk= 0, nxpk= 0, iat= 402, -1, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,
igr2=1120,1121,1122,
&end
#
# 21 LEU H 65 VAL H 3.94
&rst
ixpk= 0, nxpk= 0, iat= 402,1110, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44, &end
#
# 20 CYS HA 21 LEU H 3.20
&rst
ixpk= 0, nxpk= 0, iat= 393, 402, r1= 1.30, r2= 1.80, r3= 3.20, r4= 3.70, &end
#
# 20 CYS HB3 21 LEU H 4.45
&rst
ixpk= 0, nxpk= 0, iat= 396, 402, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95, &end
#
# 21 LEU H 21 LEU HB3 3.57
&rst
ixpk= 0, nxpk= 0, iat= 402, 407, r1= 1.30, r2= 1.80, r3= 3.57, r4= 4.07, &end
#
# 21 LEU H 21 LEU HB2 4.08
&rst
ixpk= 0, nxpk= 0, iat= 402, 406, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58, &end
#
# 21 LEU H 21 LEU QD2 4.71
&rst
ixpk= 0, nxpk= 0, iat= 402, -1, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
igr2= 415, 416, 417,
&end
#
# 85 LEU H 90 ILE H 4.85
&rst
ixpk= 0, nxpk= 0, iat=1417,1503, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35, &end
#
# 85 LEU H 88 ARG H 3.92
&rst
ixpk= 0, nxpk= 0, iat=1417,1455, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42, &end
#
# 84 GLU HA 85 LEU H 3.00
&rst
ixpk= 0, nxpk= 0, iat=1404,1417, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 84 GLU HG2 85 LEU H 3.80
&rst
ixpk= 0, nxpk= 0, iat=1409,1417, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end
#
# 85 LEU H 85 LEU HG 4.83
&rst
ixpk= 0, nxpk= 0, iat=1417,1424, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33, &end
#
# 85 LEU H 85 LEU HB2 3.96
&rst
ixpk= 0, nxpk= 0, iat=1417,1421, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46, &end
#
# 85 LEU H 90 ILE QG2 4.30
&rst
ixpk= 0, nxpk= 0, iat=1417, -1, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
igr2=1509,1510,1511,
&end
#
# 50 ILE H 52 TYR HE 4.76
&rst
ixpk= 0, nxpk= 0, iat= 857, -1, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
igr2= 902, 907,
&end
#
# 49 SER HA 50 ILE H 2.89
&rst
ixpk= 0, nxpk= 0, iat= 848, 857, r1= 1.30, r2= 1.80, r3= 2.89, r4= 3.39, &end
#
# 50 ILE H 63 ALA HA 5.14
&rst
ixpk= 0, nxpk= 0, iat= 857,1082, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64, &end
#
# 50 ILE H 50 ILE HB 3.20
&rst
ixpk= 0, nxpk= 0, iat= 857, 861, r1= 1.30, r2= 1.80, r3= 3.20, r4= 3.70, &end
#
# 50 ILE H 51 VAL H 4.76
&rst
ixpk= 0, nxpk= 0, iat= 857, 876, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26, &end
#
# 32 GLU HG3 50 ILE H 4.34
&rst
ixpk= 0, nxpk= 0, iat= 577, 857, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84, &end
#
# 50 ILE H 50 ILE HG13 3.92
&rst
ixpk= 0, nxpk= 0, iat= 857, 868, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42, &end
#
# 48 VAL QG1 50 ILE H 4.71
&rst
ixpk= 0, nxpk= 0, iat= -1, 857, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
igr1= 836, 837, 838,
&end
#
# 50 ILE H 50 ILE HG12 3.86
&rst
ixpk= 0, nxpk= 0, iat= 857, 867, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36, &end
#
# 50 ILE H 50 ILE QG2 4.24
&rst
ixpk= 0, nxpk= 0, iat= 857, -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
igr2= 863, 864, 865,
&end
#
# 51 VAL H 63 ALA HA 3.79
&rst
ixpk= 0, nxpk= 0, iat= 876,1082, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29, &end
#
# 50 ILE HA 51 VAL H 3.25
&rst
ixpk= 0, nxpk= 0, iat= 859, 876, r1= 1.30, r2= 1.80, r3= 3.25, r4= 3.75, &end
#
# 50 ILE HG13 51 VAL H 5.09
&rst
ixpk= 0, nxpk= 0, iat= 868, 876, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59, &end
#
# 51 VAL H 51 VAL HB 2.98
&rst
ixpk= 0, nxpk= 0, iat= 876, 880, r1= 1.30, r2= 1.80, r3= 2.98, r4= 3.48, &end
#
# 50 ILE QG2 51 VAL H 3.74
&rst
ixpk= 0, nxpk= 0, iat= -1, 876, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1= 863, 864, 865,
&end
#
# 54 GLN H 60 ARG QD 5.14
&rst
ixpk= 0, nxpk= 0, iat= 925, -1, r1= 1.30, r2= 1.80, r3= 5.77, r4= 6.27,
igr2=1039,1040,
&end
#
# 53 ASP HB3 54 GLN H 4.19
&rst
ixpk= 0, nxpk= 0, iat= 918, 925, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69, &end
#
# 53 ASP HB2 54 GLN H 3.32
&rst
ixpk= 0, nxpk= 0, iat= 917, 925, r1= 1.30, r2= 1.80, r3= 3.32, r4= 3.82, &end
#
# 54 GLN H 54 GLN HB3 3.31
&rst
ixpk= 0, nxpk= 0, iat= 925, 930, r1= 1.30, r2= 1.80, r3= 3.31, r4= 3.81, &end
#
# 54 GLN H 54 GLN HB2 3.21
&rst
ixpk= 0, nxpk= 0, iat= 925, 929, r1= 1.30, r2= 1.80, r3= 3.21, r4= 3.71, &end
#
# 54 GLN H 60 ARG QG 4.84
&rst
ixpk= 0, nxpk= 0, iat= 925, -1, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,
igr2=1036,1037,
&end
#
# 54 GLN H 57 ARG H 5.16
&rst
ixpk= 0, nxpk= 0, iat= 925, 970, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66, &end
#
# 70 VAL H 71 ASP H 3.67
&rst
ixpk= 0, nxpk= 0, iat=1196,1212, r1= 1.30, r2= 1.80, r3= 3.67, r4= 4.17, &end
#
# 70 VAL H 72 ASP H 4.65
&rst
ixpk= 0, nxpk= 0, iat=1196,1224, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15, &end
#
# 70 VAL H 73 ALA H 5.04
&rst
ixpk= 0, nxpk= 0, iat=1196,1236, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54, &end
#
# 69 ASN HA 70 VAL H 2.92
&rst
ixpk= 0, nxpk= 0, iat=1184,1196, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42, &end
#
# 69 ASN HB2 70 VAL H 4.15
&rst
ixpk= 0, nxpk= 0, iat=1186,1196, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65, &end
#
# 70 VAL H 70 VAL HB 3.12
&rst
ixpk= 0, nxpk= 0, iat=1196,1200, r1= 1.30, r2= 1.80, r3= 3.12, r4= 3.62, &end
#
# 70 VAL H 73 ALA QB 5.23
&rst
ixpk= 0, nxpk= 0, iat=1196, -1, r1= 1.30, r2= 1.80, r3= 6.28, r4= 6.78,
igr2=1240,1241,1242,
&end
#
# 70 VAL H 70 VAL QG1 3.27
&rst
ixpk= 0, nxpk= 0, iat=1196, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1202,1203,1204,
&end
#
# 50 ILE QG2 52 TYR H 5.30
&rst
ixpk= 0, nxpk= 0, iat= -1, 892, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 863, 864, 865,
&end
#
# 51 VAL H 52 TYR H 4.95
&rst
ixpk= 0, nxpk= 0, iat= 876, 892, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45, &end
#
# 51 VAL HA 52 TYR H 2.97
&rst
ixpk= 0, nxpk= 0, iat= 878, 892, r1= 1.30, r2= 1.80, r3= 2.97, r4= 3.47, &end
#
# 52 TYR H 52 TYR HB3 3.53
&rst
ixpk= 0, nxpk= 0, iat= 892, 897, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03, &end
#
# 51 VAL QG1 52 TYR H 3.82
&rst
ixpk= 0, nxpk= 0, iat= -1, 892, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09,
igr1= 882, 883, 884,
&end
#
# 23 VAL HA 93 ASP H 4.42
&rst
ixpk= 0, nxpk= 0, iat= 430,1562, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92, &end
#
# 93 ASP H 93 ASP HB2 4.19
&rst
ixpk= 0, nxpk= 0, iat=1562,1566, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69, &end
#
# 48 VAL H 66 TYR H 5.01
&rst
ixpk= 0, nxpk= 0, iat= 830,1126, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51, &end
#
# 66 TYR H 66 TYR HD 3.64
&rst
ixpk= 0, nxpk= 0, iat=1126, -1, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59,
igr2=1134,1143,
&end
#
# 65 VAL HA 66 TYR H 3.14
&rst
ixpk= 0, nxpk= 0, iat=1112,1126, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64, &end
#
# 66 TYR H 66 TYR HB3 3.66
&rst
ixpk= 0, nxpk= 0, iat=1126,1131, r1= 1.30, r2= 1.80, r3= 3.66, r4= 4.16, &end
#
# 47 ASP HB2 66 TYR H 4.39
&rst
ixpk= 0, nxpk= 0, iat= 822,1126, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89, &end
#
# 65 VAL HB 66 TYR H 4.49
&rst
ixpk= 0, nxpk= 0, iat=1114,1126, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99, &end
#
# 48 VAL QG1 66 TYR H 4.34
&rst
ixpk= 0, nxpk= 0, iat= -1,1126, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71,
igr1= 836, 837, 838,
&end
#
# 45 ILE QG2 66 TYR H 4.51
&rst
ixpk= 0, nxpk= 0, iat= -1,1126, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,
igr1= 795, 796, 797,
&end
#
# 66 TYR H 66 TYR HE 5.04
&rst
ixpk= 0, nxpk= 0, iat=1126, -1, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
igr2=1136,1141,
&end
#
# 46 ALA QB 66 TYR H 4.96
&rst
ixpk= 0, nxpk= 0, iat= -1,1126, r1= 1.30, r2= 1.80, r3= 5.96, r4= 6.46,
igr1= 812, 813, 814,
&end
#
# 28 LEU H 28 LEU QD2 4.43
&rst
ixpk= 0, nxpk= 0, iat= 501, -1, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82,
igr2= 514, 515, 516,
&end
#
# 28 LEU H 29 TYR H 3.81
&rst
ixpk= 0, nxpk= 0, iat= 501, 520, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31, &end
#
# 28 LEU H 29 TYR HD 4.76
&rst
ixpk= 0, nxpk= 0, iat= 501, -1, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
igr2= 528, 537,
&end
#
# 27 SER HA 28 LEU H 3.13
&rst
ixpk= 0, nxpk= 0, iat= 492, 501, r1= 1.30, r2= 1.80, r3= 3.13, r4= 3.63, &end
#
# 27 SER QB 28 LEU H 3.77
&rst
ixpk= 0, nxpk= 0, iat= -1, 501, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73,
igr1= 494, 495,
&end
#
# 28 LEU H 28 LEU QB 3.18
&rst
ixpk= 0, nxpk= 0, iat= 501, -1, r1= 1.30, r2= 1.80, r3= 3.57, r4= 4.07,
igr2= 505, 506,
&end
#
# 28 LEU H 28 LEU QD1 4.38
&rst
ixpk= 0, nxpk= 0, iat= 501, -1, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76,
igr2= 510, 511, 512,
&end
#
# 67 PHE H 67 PHE HB2 4.07
&rst
ixpk= 0, nxpk= 0, iat=1147,1151, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57, &end
#
# 67 PHE H 67 PHE HD 4.02
&rst
ixpk= 0, nxpk= 0, iat=1147, -1, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01,
igr2=1155,1163,
&end
#
# 19 CYS HA 67 PHE H 4.93
&rst
ixpk= 0, nxpk= 0, iat= 382,1147, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43, &end
#
# 67 PHE H 67 PHE HB3 4.17
&rst
ixpk= 0, nxpk= 0, iat=1147,1152, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67, &end
#
# 65 VAL QG2 67 PHE H 5.30
&rst
ixpk= 0, nxpk= 0, iat= -1,1147, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1=1120,1121,1122,
&end
#
# 19 CYS HB3 67 PHE H 4.97
&rst
ixpk= 0, nxpk= 0, iat= 385,1147, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47, &end
#
# 22 GLY H 23 VAL H 4.58
&rst
ixpk= 0, nxpk= 0, iat= 421, 428, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08, &end
#
# 23 VAL H 64 PHE HA 4.42
&rst
ixpk= 0, nxpk= 0, iat= 428,1092, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92, &end
#
# 23 VAL H 23 VAL HB 3.79
&rst
ixpk= 0, nxpk= 0, iat= 428, 432, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29, &end
#
# 23 VAL H 23 VAL QG1 4.28
&rst
ixpk= 0, nxpk= 0, iat= 428, -1, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
igr2= 434, 435, 436,
&end
#
# 23 VAL H 64 PHE HD 5.31
&rst
ixpk= 0, nxpk= 0, iat= 428, -1, r1= 1.30, r2= 1.80, r3= 5.96, r4= 6.46,
igr2=1098,1106,
&end
#
# 45 ILE H 45 ILE QD1 4.53
&rst
ixpk= 0, nxpk= 0, iat= 789, -1, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94,
igr2= 802, 803, 804,
&end
#
# 45 ILE H 46 ALA H 4.71
&rst
ixpk= 0, nxpk= 0, iat= 789, 808, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21, &end
#
# 45 ILE H 68 GLU HG2 5.02
&rst
ixpk= 0, nxpk= 0, iat= 789,1174, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52, &end
#
# 44 PRO HB2 45 ILE H 4.01
&rst
ixpk= 0, nxpk= 0, iat= 782, 789, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51, &end
#
# 45 ILE H 45 ILE HB 3.23
&rst
ixpk= 0, nxpk= 0, iat= 789, 793, r1= 1.30, r2= 1.80, r3= 3.23, r4= 3.73, &end
#
# 45 ILE H 45 ILE HG13 4.10
&rst
ixpk= 0, nxpk= 0, iat= 789, 800, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60, &end
#
# 45 ILE H 45 ILE HG12 3.89
&rst
ixpk= 0, nxpk= 0, iat= 789, 799, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39, &end
#
# 64 PHE HD 65 VAL H 4.79
&rst
ixpk= 0, nxpk= 0, iat= -1,1110, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88,
igr1=1098,1106,
&end
#
# 64 PHE HA 65 VAL H 3.30
&rst
ixpk= 0, nxpk= 0, iat=1092,1110, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 65 VAL H 65 VAL HB 3.57
&rst
ixpk= 0, nxpk= 0, iat=1110,1114, r1= 1.30, r2= 1.80, r3= 3.57, r4= 4.07, &end
#
# 63 ALA QB 65 VAL H 5.12
&rst
ixpk= 0, nxpk= 0, iat= -1,1110, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65,
igr1=1084,1085,1086,
&end
#
# 65 VAL H 65 VAL QG2 3.96
&rst
ixpk= 0, nxpk= 0, iat=1110, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr2=1120,1121,1122,
&end
#
# 52 TYR HD 53 ASP H 4.46
&rst
ixpk= 0, nxpk= 0, iat= -1, 913, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51,
igr1= 900, 909,
&end
#
# 53 ASP H 59 SER HA 3.92
&rst
ixpk= 0, nxpk= 0, iat= 913,1020, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42, &end
#
# 53 ASP H 53 ASP HB3 3.36
&rst
ixpk= 0, nxpk= 0, iat= 913, 918, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86, &end
#
# 52 TYR HB2 53 ASP H 3.16
&rst
ixpk= 0, nxpk= 0, iat= 896, 913, r1= 1.30, r2= 1.80, r3= 3.16, r4= 3.66, &end
#
# 53 ASP H 60 ARG QG 3.98
&rst
ixpk= 0, nxpk= 0, iat= 913, -1, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97,
igr2=1036,1037,
&end
#
# 52 TYR H 53 ASP H 4.62
&rst
ixpk= 0, nxpk= 0, iat= 892, 913, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12, &end
#
# 53 ASP H 57 ARG H 5.03
&rst
ixpk= 0, nxpk= 0, iat= 913, 970, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53, &end
#
# 90 ILE H 90 ILE HG13 3.57
&rst
ixpk= 0, nxpk= 0, iat=1503,1514, r1= 1.30, r2= 1.80, r3= 3.57, r4= 4.07, &end
#
# 82 GLY HA3 90 ILE H 4.85
&rst
ixpk= 0, nxpk= 0, iat=1381,1503, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35, &end
#
# 82 GLY HA2 90 ILE H 5.00
&rst
ixpk= 0, nxpk= 0, iat=1380,1503, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 83 MET HG3 90 ILE H 5.09
&rst
ixpk= 0, nxpk= 0, iat=1393,1503, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59, &end
#
# 90 ILE H 90 ILE HB 4.08
&rst
ixpk= 0, nxpk= 0, iat=1503,1507, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58, &end
#
# 89 ARG HB3 90 ILE H 3.97
&rst
ixpk= 0, nxpk= 0, iat=1484,1503, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47, &end
#
# 52 TYR HA 60 ARG H 3.73
&rst
ixpk= 0, nxpk= 0, iat= 894,1029, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23, &end
#
# 59 SER HA 60 ARG H 3.25
&rst
ixpk= 0, nxpk= 0, iat=1020,1029, r1= 1.30, r2= 1.80, r3= 3.25, r4= 3.75, &end
#
# 53 ASP HB3 60 ARG H 4.43
&rst
ixpk= 0, nxpk= 0, iat= 918,1029, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93, &end
#
# 60 ARG H 60 ARG HB3 3.99
&rst
ixpk= 0, nxpk= 0, iat=1029,1034, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49, &end
#
# 60 ARG H 60 ARG QG 3.90
&rst
ixpk= 0, nxpk= 0, iat=1029, -1, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,
igr2=1036,1037,
&end
#
# 60 ARG H 60 ARG HB2 3.90
&rst
ixpk= 0, nxpk= 0, iat=1029,1033, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40, &end
#
# 28 LEU QD1 60 ARG H 5.44
&rst
ixpk= 0, nxpk= 0, iat= -1,1029, r1= 1.30, r2= 1.80, r3= 6.53, r4= 7.03,
igr1= 510, 511, 512,
&end
#
# 52 TYR HD 60 ARG H 4.40
&rst
ixpk= 0, nxpk= 0, iat= -1,1029, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
igr1= 900, 909,
&end
#
# 52 TYR HB2 60 ARG H 5.20
&rst
ixpk= 0, nxpk= 0, iat= 896,1029, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70, &end
#
# 97 THR QG2 98 LYS H 5.17
&rst
ixpk= 0, nxpk= 0, iat= -1,1638, r1= 1.30, r2= 1.80, r3= 6.21, r4= 6.71,
igr1=1630,1631,1632,
&end
#
# 98 LYS H 98 LYS QG 4.51
&rst
ixpk= 0, nxpk= 0, iat=1638, -1, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,
igr2=1645,1646,
&end
#
# 98 LYS H 98 LYS HB2 4.07
&rst
ixpk= 0, nxpk= 0, iat=1638,1642, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57, &end
#
# 84 GLU H 85 LEU H 4.40
&rst
ixpk= 0, nxpk= 0, iat=1402,1417, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90, &end
#
# 83 MET HA 84 GLU H 2.74
&rst
ixpk= 0, nxpk= 0, iat=1387,1402, r1= 1.30, r2= 1.80, r3= 2.74, r4= 3.24, &end
#
# 83 MET HG3 84 GLU H 4.33
&rst
ixpk= 0, nxpk= 0, iat=1393,1402, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83, &end
#
# 84 GLU H 84 GLU HB3 2.96
&rst
ixpk= 0, nxpk= 0, iat=1402,1407, r1= 1.30, r2= 1.80, r3= 2.96, r4= 3.46, &end
#
# 84 GLU H 84 GLU HB2 3.19
&rst
ixpk= 0, nxpk= 0, iat=1402,1406, r1= 1.30, r2= 1.80, r3= 3.19, r4= 3.69, &end
#
# 12 ARG HB2 13 ALA H 4.35
&rst
ixpk= 0, nxpk= 0, iat= 282, 302, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85, &end
#
# 13 ALA H 13 ALA QB 3.40
&rst
ixpk= 0, nxpk= 0, iat= 302, -1, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58,
igr2= 306, 307, 308,
&end
#
# 69 ASN HB3 72 ASP H 3.53
&rst
ixpk= 0, nxpk= 0, iat=1187,1224, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03, &end
#
# 71 ASP HB2 72 ASP H 3.46
&rst
ixpk= 0, nxpk= 0, iat=1216,1224, r1= 1.30, r2= 1.80, r3= 3.46, r4= 3.96, &end
#
# 70 VAL QG1 72 ASP H 5.06
&rst
ixpk= 0, nxpk= 0, iat= -1,1224, r1= 1.30, r2= 1.80, r3= 6.08, r4= 6.58,
igr1=1202,1203,1204,
&end
#
# 18 ASN H 18 ASN HB3 3.68
&rst
ixpk= 0, nxpk= 0, iat= 366, 371, r1= 1.30, r2= 1.80, r3= 3.68, r4= 4.18, &end
#
# 18 ASN H 18 ASN HB2 3.40
&rst
ixpk= 0, nxpk= 0, iat= 366, 370, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90, &end
#
# 72 ASP H 73 ALA QB 4.88
&rst
ixpk= 0, nxpk= 0, iat=1224, -1, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36,
igr2=1240,1241,1242,
&end
#
# 70 VAL HB 72 ASP H 5.21
&rst
ixpk= 0, nxpk= 0, iat=1200,1224, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71, &end
#
# 73 ALA H 74 LYS H 3.58
&rst
ixpk= 0, nxpk= 0, iat=1236,1246, r1= 1.30, r2= 1.80, r3= 3.58, r4= 4.08, &end
#
# 72 ASP H 73 ALA H 3.31
&rst
ixpk= 0, nxpk= 0, iat=1224,1236, r1= 1.30, r2= 1.80, r3= 3.31, r4= 3.81, &end
#
# 70 VAL QG1 73 ALA H 4.97
&rst
ixpk= 0, nxpk= 0, iat= -1,1236, r1= 1.30, r2= 1.80, r3= 5.97, r4= 6.47,
igr1=1202,1203,1204,
&end
#
# 49 SER H 64 PHE H 3.72
&rst
ixpk= 0, nxpk= 0, iat= 846,1090, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22, &end
#
# 49 SER H 63 ALA QB 5.00
&rst
ixpk= 0, nxpk= 0, iat= 846, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr2=1084,1085,1086,
&end
#
# 49 SER H 66 TYR HD 5.41
&rst
ixpk= 0, nxpk= 0, iat= 846, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2=1134,1143,
&end
#
# 49 SER H 64 PHE HD 5.49
&rst
ixpk= 0, nxpk= 0, iat= 846, -1, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66,
igr2=1098,1106,
&end
#
# 48 VAL HB 49 SER H 4.47
&rst
ixpk= 0, nxpk= 0, iat= 834, 846, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97, &end
#
# 49 SER H 65 VAL QG1 5.04
&rst
ixpk= 0, nxpk= 0, iat= 846, -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
igr2=1116,1117,1118,
&end
#
# 85 LEU H 89 ARG H 4.30
&rst
ixpk= 0, nxpk= 0, iat=1417,1479, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 89 ARG H 90 ILE QG2 4.14
&rst
ixpk= 0, nxpk= 0, iat=1479, -1, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47,
igr2=1509,1510,1511,
&end
#
# 32 GLU H 34 ASP H 4.82
&rst
ixpk= 0, nxpk= 0, iat= 569, 608, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32, &end
#
# 32 GLU H 32 GLU HG3 3.30
&rst
ixpk= 0, nxpk= 0, iat= 569, 577, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 32 GLU H 32 GLU HB3 3.38
&rst
ixpk= 0, nxpk= 0, iat= 569, 574, r1= 1.30, r2= 1.80, r3= 3.38, r4= 3.88, &end
#
# 32 GLU H 50 ILE QD1 3.78
&rst
ixpk= 0, nxpk= 0, iat= 569, -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
igr2= 870, 871, 872,
&end
#
# 32 GLU H 32 GLU HG2 4.33
&rst
ixpk= 0, nxpk= 0, iat= 569, 576, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83, &end
#
# 32 GLU H 48 VAL QG1 4.81
&rst
ixpk= 0, nxpk= 0, iat= 569, -1, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28,
igr2= 836, 837, 838,
&end
#
# 32 GLU H 50 ILE HG12 4.59
&rst
ixpk= 0, nxpk= 0, iat= 569, 867, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09, &end
#
# 32 GLU H 50 ILE QG2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 569, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 863, 864, 865,
&end
#
# 88 ARG HB3 89 ARG H 3.97
&rst
ixpk= 0, nxpk= 0, iat=1460,1479, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47, &end
#
# 89 ARG H 89 ARG QD 3.85
&rst
ixpk= 0, nxpk= 0, iat=1479, -1, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82,
igr2=1489,1490,
&end
#
# 88 ARG HB2 89 ARG H 3.34
&rst
ixpk= 0, nxpk= 0, iat=1459,1479, r1= 1.30, r2= 1.80, r3= 3.34, r4= 3.84, &end
#
# 89 ARG H 89 ARG HB2 3.73
&rst
ixpk= 0, nxpk= 0, iat=1479,1483, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23, &end
#
# 71 ASP H 73 ALA H 4.64
&rst
ixpk= 0, nxpk= 0, iat=1212,1236, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14, &end
#
# 69 ASN HA 71 ASP H 4.10
&rst
ixpk= 0, nxpk= 0, iat=1184,1212, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60, &end
#
# 71 ASP H 72 ASP H 3.42
&rst
ixpk= 0, nxpk= 0, iat=1212,1224, r1= 1.30, r2= 1.80, r3= 3.42, r4= 3.92, &end
#
# 69 ASN HB3 71 ASP H 3.91
&rst
ixpk= 0, nxpk= 0, iat=1187,1212, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41, &end
#
# 71 ASP H 71 ASP HB2 3.10
&rst
ixpk= 0, nxpk= 0, iat=1212,1216, r1= 1.30, r2= 1.80, r3= 3.10, r4= 3.60, &end
#
# 70 VAL HB 71 ASP H 3.83
&rst
ixpk= 0, nxpk= 0, iat=1200,1212, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33, &end
#
# 20 CYS H 95 SER QB 5.50
&rst
ixpk= 0, nxpk= 0, iat= 391, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1598,1599,
&end
#
# 12 ARG H 13 ALA H 4.31
&rst
ixpk= 0, nxpk= 0, iat= 278, 302, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81, &end
#
# 11 ASN HA 12 ARG H 3.03
&rst
ixpk= 0, nxpk= 0, iat= 266, 278, r1= 1.30, r2= 1.80, r3= 3.03, r4= 3.53, &end
#
# 11 ASN HB2 12 ARG H 4.10
&rst
ixpk= 0, nxpk= 0, iat= 268, 278, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60, &end
#
# 12 ARG H 12 ARG HB3 3.74
&rst
ixpk= 0, nxpk= 0, iat= 278, 283, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24, &end
#
# 20 CYS H 20 CYS HB3 4.15
&rst
ixpk= 0, nxpk= 0, iat= 391, 396, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65, &end
#
# 48 VAL H 49 SER H 4.31
&rst
ixpk= 0, nxpk= 0, iat= 830, 846, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81, &end
#
# 47 ASP H 48 VAL H 4.46
&rst
ixpk= 0, nxpk= 0, iat= 818, 830, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96, &end
#
# 47 ASP HA 48 VAL H 2.74
&rst
ixpk= 0, nxpk= 0, iat= 820, 830, r1= 1.30, r2= 1.80, r3= 2.74, r4= 3.24, &end
#
# 47 ASP HB2 48 VAL H 3.91
&rst
ixpk= 0, nxpk= 0, iat= 822, 830, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41, &end
#
# 48 VAL H 48 VAL QG1 4.85
&rst
ixpk= 0, nxpk= 0, iat= 830, -1, r1= 1.30, r2= 1.80, r3= 5.82, r4= 6.32,
igr2= 836, 837, 838,
&end
#
# 45 ILE QG2 48 VAL H 5.01
&rst
ixpk= 0, nxpk= 0, iat= -1, 830, r1= 1.30, r2= 1.80, r3= 6.02, r4= 6.52,
igr1= 795, 796, 797,
&end
#
# 48 VAL H 65 VAL QG2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 830, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1120,1121,1122,
&end
#
# 75 GLU H 76 ALA H 3.24
&rst
ixpk= 0, nxpk= 0, iat=1268,1283, r1= 1.30, r2= 1.80, r3= 3.24, r4= 3.74, &end
#
# 42 TYR HB3 76 ALA H 4.53
&rst
ixpk= 0, nxpk= 0, iat= 752,1283, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03, &end
#
# 73 ALA HA 76 ALA H 3.97
&rst
ixpk= 0, nxpk= 0, iat=1238,1283, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47, &end
#
# 73 ALA QB 76 ALA H 4.60
&rst
ixpk= 0, nxpk= 0, iat= -1,1283, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02,
igr1=1240,1241,1242,
&end
#
# 76 ALA H 76 ALA QB 3.29
&rst
ixpk= 0, nxpk= 0, iat=1283, -1, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45,
igr2=1287,1288,1289,
&end
#
# 92 VAL H 93 ASP H 4.71
&rst
ixpk= 0, nxpk= 0, iat=1546,1562, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21, &end
#
# 82 GLY H 92 VAL H 4.73
&rst
ixpk= 0, nxpk= 0, iat=1378,1546, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23, &end
#
# 81 ASN HB3 92 VAL H 4.88
&rst
ixpk= 0, nxpk= 0, iat=1369,1546, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38, &end
#
# 81 ASN HB2 92 VAL H 5.06
&rst
ixpk= 0, nxpk= 0, iat=1368,1546, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56, &end
#
# 92 VAL H 92 VAL QG1 4.14
&rst
ixpk= 0, nxpk= 0, iat=1546, -1, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47,
igr2=1552,1553,1554,
&end
#
# 81 ASN HA 92 VAL H 4.07
&rst
ixpk= 0, nxpk= 0, iat=1366,1546, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57, &end
#
# 23 VAL QG1 92 VAL H 5.38
&rst
ixpk= 0, nxpk= 0, iat= -1,1546, r1= 1.30, r2= 1.80, r3= 6.46, r4= 6.96,
igr1= 434, 435, 436,
&end
#
# 82 GLY H 83 MET H 3.44
&rst
ixpk= 0, nxpk= 0, iat=1378,1385, r1= 1.30, r2= 1.80, r3= 3.44, r4= 3.94, &end
#
# 83 MET H 90 ILE H 4.64
&rst
ixpk= 0, nxpk= 0, iat=1385,1503, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14, &end
#
# 81 ASN HB3 83 MET H 4.93
&rst
ixpk= 0, nxpk= 0, iat=1369,1385, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43, &end
#
# 83 MET H 83 MET HG3 3.70
&rst
ixpk= 0, nxpk= 0, iat=1385,1393, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20, &end
#
# 83 MET H 83 MET HB2 3.24
&rst
ixpk= 0, nxpk= 0, iat=1385,1389, r1= 1.30, r2= 1.80, r3= 3.24, r4= 3.74, &end
#
# 83 MET H 90 ILE HG13 4.13
&rst
ixpk= 0, nxpk= 0, iat=1385,1514, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63, &end
#
# 83 MET H 90 ILE HG12 4.32
&rst
ixpk= 0, nxpk= 0, iat=1385,1513, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82, &end
#
# 83 MET H 90 ILE QD1 4.59
&rst
ixpk= 0, nxpk= 0, iat=1385, -1, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01,
igr2=1516,1517,1518,
&end
#
# 31 THR H 33 ARG H 5.30
&rst
ixpk= 0, nxpk= 0, iat= 555, 584, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, &end
#
# 31 THR H 32 GLU H 5.23
&rst
ixpk= 0, nxpk= 0, iat= 555, 569, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73, &end
#
# 36 ARG H 37 GLU H 3.29
&rst
ixpk= 0, nxpk= 0, iat= 639, 663, r1= 1.30, r2= 1.80, r3= 3.29, r4= 3.79, &end
#
# 35 LEU H 36 ARG H 3.29
&rst
ixpk= 0, nxpk= 0, iat= 620, 639, r1= 1.30, r2= 1.80, r3= 3.29, r4= 3.79, &end
#
# 33 ARG HA 36 ARG H 3.60
&rst
ixpk= 0, nxpk= 0, iat= 586, 639, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10, &end
#
# 34 ASP HB3 36 ARG H 4.69
&rst
ixpk= 0, nxpk= 0, iat= 613, 639, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19, &end
#
# 36 ARG H 36 ARG QB 2.72
&rst
ixpk= 0, nxpk= 0, iat= 639, -1, r1= 1.30, r2= 1.80, r3= 3.05, r4= 3.55,
igr2= 643, 644,
&end
#
# 36 ARG H 48 VAL QG1 3.86
&rst
ixpk= 0, nxpk= 0, iat= 639, -1, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,
igr2= 836, 837, 838,
&end
#
# 35 LEU QD2 36 ARG H 5.36
&rst
ixpk= 0, nxpk= 0, iat= -1, 639, r1= 1.30, r2= 1.80, r3= 6.44, r4= 6.94,
igr1= 633, 634, 635,
&end
#
# 35 LEU QD1 36 ARG H 4.68
&rst
ixpk= 0, nxpk= 0, iat= -1, 639, r1= 1.30, r2= 1.80, r3= 5.62, r4= 6.12,
igr1= 629, 630, 631,
&end
#
# 73 ALA HA 75 GLU H 4.51
&rst
ixpk= 0, nxpk= 0, iat=1238,1268, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01, &end
#
# 75 GLU H 77 LYS H 4.56
&rst
ixpk= 0, nxpk= 0, iat=1268,1293, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06, &end
#
# 72 ASP HA 75 GLU H 3.84
&rst
ixpk= 0, nxpk= 0, iat=1226,1268, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34, &end
#
# 75 GLU H 76 ALA QB 4.77
&rst
ixpk= 0, nxpk= 0, iat=1268, -1, r1= 1.30, r2= 1.80, r3= 5.73, r4= 6.23,
igr2=1287,1288,1289,
&end
#
# 31 THR H 35 LEU H 4.78
&rst
ixpk= 0, nxpk= 0, iat= 555, 620, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28, &end
#
# 30 THR HA 31 THR H 3.11
&rst
ixpk= 0, nxpk= 0, iat= 543, 555, r1= 1.30, r2= 1.80, r3= 3.11, r4= 3.61, &end
#
# 31 THR H 34 ASP HB3 3.82
&rst
ixpk= 0, nxpk= 0, iat= 555, 613, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32, &end
#
# 31 THR H 34 ASP HB2 4.02
&rst
ixpk= 0, nxpk= 0, iat= 555, 612, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52, &end
#
# 93 ASP H 94 PHE H 4.67
&rst
ixpk= 0, nxpk= 0, iat=1562,1574, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17, &end
#
# 21 LEU HA 94 PHE H 5.39
&rst
ixpk= 0, nxpk= 0, iat= 404,1574, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89, &end
#
# 93 ASP HA 94 PHE H 3.13
&rst
ixpk= 0, nxpk= 0, iat=1564,1574, r1= 1.30, r2= 1.80, r3= 3.13, r4= 3.63, &end
#
# 94 PHE H 94 PHE HB3 3.87
&rst
ixpk= 0, nxpk= 0, iat=1574,1579, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37, &end
#
# 77 LYS QD 94 PHE H 4.83
&rst
ixpk= 0, nxpk= 0, iat= -1,1574, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,
igr1=1303,1304,
&end
#
# 77 LYS HG2 94 PHE H 5.49
&rst
ixpk= 0, nxpk= 0, iat=1300,1574, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99, &end
#
# 78 GLU H 80 ALA H 4.39
&rst
ixpk= 0, nxpk= 0, iat=1315,1354, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89, &end
#
# 42 TYR HE 80 ALA H 5.28
&rst
ixpk= 0, nxpk= 0, iat= -1,1354, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43,
igr1= 757, 762,
&end
#
# 78 GLU HA 80 ALA H 5.12
&rst
ixpk= 0, nxpk= 0, iat=1317,1354, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62, &end
#
# 77 LYS HA 80 ALA H 4.73
&rst
ixpk= 0, nxpk= 0, iat=1295,1354, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23, &end
#
# 80 ALA H 81 ASN HB3 5.36
&rst
ixpk= 0, nxpk= 0, iat=1354,1369, r1= 1.30, r2= 1.80, r3= 5.36, r4= 5.86, &end
#
# 80 ALA H 81 ASN HB2 4.65
&rst
ixpk= 0, nxpk= 0, iat=1354,1368, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15, &end
#
# 76 ALA HA 80 ALA H 3.98
&rst
ixpk= 0, nxpk= 0, iat=1285,1354, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48, &end
#
# 79 ARG H 80 ALA H 3.24
&rst
ixpk= 0, nxpk= 0, iat=1330,1354, r1= 1.30, r2= 1.80, r3= 3.24, r4= 3.74, &end
#
# 80 ALA H 81 ASN H 3.29
&rst
ixpk= 0, nxpk= 0, iat=1354,1364, r1= 1.30, r2= 1.80, r3= 3.29, r4= 3.79, &end
#
# 79 ARG HB3 80 ALA H 4.18
&rst
ixpk= 0, nxpk= 0, iat=1335,1354, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68, &end
#
# 79 ARG HG3 80 ALA H 4.57
&rst
ixpk= 0, nxpk= 0, iat=1338,1354, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07, &end
#
# 79 ARG HB2 80 ALA H 3.85
&rst
ixpk= 0, nxpk= 0, iat=1334,1354, r1= 1.30, r2= 1.80, r3= 3.85, r4= 4.35, &end
#
# 80 ALA H 80 ALA QB 3.26
&rst
ixpk= 0, nxpk= 0, iat=1354, -1, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42,
igr2=1358,1359,1360,
&end
#
# 62 PHE H 63 ALA H 4.71
&rst
ixpk= 0, nxpk= 0, iat=1060,1080, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21, &end
#
# 50 ILE HA 63 ALA H 4.47
&rst
ixpk= 0, nxpk= 0, iat= 859,1080, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97, &end
#
# 23 VAL H 63 ALA H 3.95
&rst
ixpk= 0, nxpk= 0, iat= 428,1080, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45, &end
#
# 62 PHE HD 63 ALA H 4.24
&rst
ixpk= 0, nxpk= 0, iat= -1,1080, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr1=1068,1076,
&end
#
# 62 PHE HA 63 ALA H 3.43
&rst
ixpk= 0, nxpk= 0, iat=1062,1080, r1= 1.30, r2= 1.80, r3= 3.43, r4= 3.93, &end
#
# 62 PHE HB3 63 ALA H 3.93
&rst
ixpk= 0, nxpk= 0, iat=1065,1080, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, &end
#
# 62 PHE HB2 63 ALA H 3.69
&rst
ixpk= 0, nxpk= 0, iat=1064,1080, r1= 1.30, r2= 1.80, r3= 3.69, r4= 4.19, &end
#
# 23 VAL HB 63 ALA H 3.85
&rst
ixpk= 0, nxpk= 0, iat= 432,1080, r1= 1.30, r2= 1.80, r3= 3.85, r4= 4.35, &end
#
# 63 ALA H 63 ALA QB 3.63
&rst
ixpk= 0, nxpk= 0, iat=1080, -1, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86,
igr2=1084,1085,1086,
&end
#
# 24 PHE HD 63 ALA H 5.15
&rst
ixpk= 0, nxpk= 0, iat= -1,1080, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28,
igr1= 452, 460,
&end
#
# 37 GLU H 38 VAL H 3.42
&rst
ixpk= 0, nxpk= 0, iat= 663, 678, r1= 1.30, r2= 1.80, r3= 3.42, r4= 3.92, &end
#
# 34 ASP HA 37 GLU H 4.00
&rst
ixpk= 0, nxpk= 0, iat= 610, 663, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 37 GLU H 37 GLU HG3 3.62
&rst
ixpk= 0, nxpk= 0, iat= 663, 671, r1= 1.30, r2= 1.80, r3= 3.62, r4= 4.12, &end
#
# 37 GLU H 37 GLU HB2 2.89
&rst
ixpk= 0, nxpk= 0, iat= 663, 667, r1= 1.30, r2= 1.80, r3= 2.89, r4= 3.39, &end
#
# 86 ASP H 88 ARG H 4.91
&rst
ixpk= 0, nxpk= 0, iat=1436,1455, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41, &end
#
# 84 GLU HA 88 ARG H 4.16
&rst
ixpk= 0, nxpk= 0, iat=1404,1455, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66, &end
#
# 88 ARG H 90 ILE QG2 5.08
&rst
ixpk= 0, nxpk= 0, iat=1455, -1, r1= 1.30, r2= 1.80, r3= 6.10, r4= 6.60,
igr2=1509,1510,1511,
&end
#
# 88 ARG H 89 ARG H 4.31
&rst
ixpk= 0, nxpk= 0, iat=1455,1479, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81, &end
#
# 86 ASP HA 88 ARG H 4.60
&rst
ixpk= 0, nxpk= 0, iat=1438,1455, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, &end
#
# 88 ARG H 89 ARG QD 4.24
&rst
ixpk= 0, nxpk= 0, iat=1455, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr2=1489,1490,
&end
#
# 88 ARG H 88 ARG HB3 3.45
&rst
ixpk= 0, nxpk= 0, iat=1455,1460, r1= 1.30, r2= 1.80, r3= 3.45, r4= 3.95, &end
#
# 88 ARG H 88 ARG HB2 3.23
&rst
ixpk= 0, nxpk= 0, iat=1455,1459, r1= 1.30, r2= 1.80, r3= 3.23, r4= 3.73, &end
#
# 88 ARG H 88 ARG QG 3.92
&rst
ixpk= 0, nxpk= 0, iat=1455, -1, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,
igr2=1462,1463,
&end
#
# 32 GLU HA 34 ASP H 5.33
&rst
ixpk= 0, nxpk= 0, iat= 571, 608, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83, &end
#
# 33 ARG H 48 VAL QG1 5.00
&rst
ixpk= 0, nxpk= 0, iat= 584, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr2= 836, 837, 838,
&end
#
# 33 ARG H 33 ARG HB3 3.29
&rst
ixpk= 0, nxpk= 0, iat= 584, 589, r1= 1.30, r2= 1.80, r3= 3.29, r4= 3.79, &end
#
# 32 GLU H 33 ARG H 3.59
&rst
ixpk= 0, nxpk= 0, iat= 569, 584, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09, &end
#
# 33 ARG H 33 ARG HD3 5.27
&rst
ixpk= 0, nxpk= 0, iat= 584, 595, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77, &end
#
# 33 ARG H 33 ARG HB2 3.13
&rst
ixpk= 0, nxpk= 0, iat= 584, 588, r1= 1.30, r2= 1.80, r3= 3.13, r4= 3.63, &end
#
# 31 THR QG2 33 ARG H 5.05
&rst
ixpk= 0, nxpk= 0, iat= -1, 584, r1= 1.30, r2= 1.80, r3= 6.06, r4= 6.56,
igr1= 561, 562, 563,
&end
#
# 31 THR H 34 ASP H 4.35
&rst
ixpk= 0, nxpk= 0, iat= 555, 608, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85, &end
#
# 34 ASP H 36 ARG H 4.67
&rst
ixpk= 0, nxpk= 0, iat= 608, 639, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17, &end
#
# 33 ARG H 34 ASP H 3.43
&rst
ixpk= 0, nxpk= 0, iat= 584, 608, r1= 1.30, r2= 1.80, r3= 3.43, r4= 3.93, &end
#
# 34 ASP H 35 LEU H 3.53
&rst
ixpk= 0, nxpk= 0, iat= 608, 620, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03, &end
#
# 34 ASP H 34 ASP HB3 3.39
&rst
ixpk= 0, nxpk= 0, iat= 608, 613, r1= 1.30, r2= 1.80, r3= 3.39, r4= 3.89, &end
#
# 34 ASP H 34 ASP HB2 3.51
&rst
ixpk= 0, nxpk= 0, iat= 608, 612, r1= 1.30, r2= 1.80, r3= 3.51, r4= 4.01, &end
#
# 33 ARG HB3 34 ASP H 3.56
&rst
ixpk= 0, nxpk= 0, iat= 589, 608, r1= 1.30, r2= 1.80, r3= 3.56, r4= 4.06, &end
#
# 33 ARG HB2 34 ASP H 3.41
&rst
ixpk= 0, nxpk= 0, iat= 588, 608, r1= 1.30, r2= 1.80, r3= 3.41, r4= 3.91, &end
#
# 33 ARG QG 34 ASP H 4.39
&rst
ixpk= 0, nxpk= 0, iat= -1, 608, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43,
igr1= 591, 592,
&end
#
# 30 THR H 31 THR H 4.80
&rst
ixpk= 0, nxpk= 0, iat= 541, 555, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, &end
#
# 28 LEU H 30 THR H 4.83
&rst
ixpk= 0, nxpk= 0, iat= 501, 541, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33, &end
#
# 29 TYR H 30 THR H 3.35
&rst
ixpk= 0, nxpk= 0, iat= 520, 541, r1= 1.30, r2= 1.80, r3= 3.35, r4= 3.85, &end
#
# 27 SER QB 30 THR H 3.79
&rst
ixpk= 0, nxpk= 0, iat= -1, 541, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75,
igr1= 494, 495,
&end
#
# 30 THR H 30 THR HB 3.14
&rst
ixpk= 0, nxpk= 0, iat= 541, 545, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64, &end
#
# 29 TYR HB3 30 THR H 4.54
&rst
ixpk= 0, nxpk= 0, iat= 525, 541, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04, &end
#
# 29 TYR HB2 30 THR H 4.38
&rst
ixpk= 0, nxpk= 0, iat= 524, 541, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88, &end
#
# 30 THR H 30 THR QG2 4.05
&rst
ixpk= 0, nxpk= 0, iat= 541, -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
igr2= 547, 548, 549,
&end
#
# 39 PHE HB3 41 LYS H 5.00
&rst
ixpk= 0, nxpk= 0, iat= 699, 725, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 41 LYS H 42 TYR H 3.44
&rst
ixpk= 0, nxpk= 0, iat= 725, 747, r1= 1.30, r2= 1.80, r3= 3.44, r4= 3.94, &end
#
# 41 LYS H 42 TYR HD 4.37
&rst
ixpk= 0, nxpk= 0, iat= 725, -1, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,
igr2= 755, 764,
&end
#
# 39 PHE HA 41 LYS H 4.27
&rst
ixpk= 0, nxpk= 0, iat= 696, 725, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77, &end
#
# 38 VAL HA 41 LYS H 4.70
&rst
ixpk= 0, nxpk= 0, iat= 680, 725, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, &end
#
# 41 LYS H 42 TYR HB2 4.97
&rst
ixpk= 0, nxpk= 0, iat= 725, 751, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47, &end
#
# 41 LYS H 41 LYS QE 4.94
&rst
ixpk= 0, nxpk= 0, iat= 725, -1, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,
igr2= 738, 739,
&end
#
# 41 LYS H 41 LYS HG3 3.68
&rst
ixpk= 0, nxpk= 0, iat= 725, 733, r1= 1.30, r2= 1.80, r3= 3.68, r4= 4.18, &end
#
# 38 VAL QG1 41 LYS H 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 725, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 684, 685, 686,
&end
#
# 41 LYS H 45 ILE QD1 5.31
&rst
ixpk= 0, nxpk= 0, iat= 725, -1, r1= 1.30, r2= 1.80, r3= 6.38, r4= 6.88,
igr2= 802, 803, 804,
&end
#
# 11 ASN H 11 ASN HB3 3.82
&rst
ixpk= 0, nxpk= 0, iat= 264, 269, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32, &end
#
# 11 ASN H 11 ASN HB2 3.84
&rst
ixpk= 0, nxpk= 0, iat= 264, 268, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34, &end
#
# 33 ARG H 36 ARG H 5.00
&rst
ixpk= 0, nxpk= 0, iat= 584, 639, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 33 ARG H 50 ILE QD1 5.03
&rst
ixpk= 0, nxpk= 0, iat= 584, -1, r1= 1.30, r2= 1.80, r3= 6.04, r4= 6.54,
igr2= 870, 871, 872,
&end
#
# 67 PHE HD 68 GLU H 4.76
&rst
ixpk= 0, nxpk= 0, iat= -1,1167, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
igr1=1155,1163,
&end
#
# 68 GLU H 68 GLU HG2 4.14
&rst
ixpk= 0, nxpk= 0, iat=1167,1174, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64, &end
#
# 46 ALA H 68 GLU H 4.45
&rst
ixpk= 0, nxpk= 0, iat= 808,1167, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95, &end
#
# 45 ILE QD1 68 GLU H 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1167, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 802, 803, 804,
&end
#
# 45 ILE HA 68 GLU H 4.44
&rst
ixpk= 0, nxpk= 0, iat= 791,1167, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94, &end
#
# 67 PHE HB3 68 GLU H 4.33
&rst
ixpk= 0, nxpk= 0, iat=1152,1167, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83, &end
#
# 67 PHE HB2 68 GLU H 4.46
&rst
ixpk= 0, nxpk= 0, iat=1151,1167, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96, &end
#
# 68 GLU H 68 GLU HG3 3.55
&rst
ixpk= 0, nxpk= 0, iat=1167,1175, r1= 1.30, r2= 1.80, r3= 3.55, r4= 4.05, &end
#
# 46 ALA QB 68 GLU H 5.41
&rst
ixpk= 0, nxpk= 0, iat= -1,1167, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,
igr1= 812, 813, 814,
&end
#
# 45 ILE QG2 68 GLU H 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1167, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 795, 796, 797,
&end
#
# 58 ARG H 59 SER H 4.62
&rst
ixpk= 0, nxpk= 0, iat= 994,1018, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12, &end
#
# 58 ARG H 58 ARG HB3 3.81
&rst
ixpk= 0, nxpk= 0, iat= 994, 999, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31, &end
#
# 52 TYR HD 58 ARG H 5.18
&rst
ixpk= 0, nxpk= 0, iat= -1, 994, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31,
igr1= 900, 909,
&end
#
# 53 ASP H 58 ARG H 4.17
&rst
ixpk= 0, nxpk= 0, iat= 913, 994, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67, &end
#
# 57 ARG HD3 58 ARG H 4.50
&rst
ixpk= 0, nxpk= 0, iat= 981, 994, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 57 ARG HD2 58 ARG H 3.87
&rst
ixpk= 0, nxpk= 0, iat= 980, 994, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37, &end
#
# 53 ASP HB2 58 ARG H 3.88
&rst
ixpk= 0, nxpk= 0, iat= 917, 994, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38, &end
#
# 57 ARG HB3 58 ARG H 3.04
&rst
ixpk= 0, nxpk= 0, iat= 975, 994, r1= 1.30, r2= 1.80, r3= 3.04, r4= 3.54, &end
#
# 74 LYS H 77 LYS H 5.19
&rst
ixpk= 0, nxpk= 0, iat=1246,1293, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69, &end
#
# 76 ALA H 77 LYS H 3.80
&rst
ixpk= 0, nxpk= 0, iat=1283,1293, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end
#
# 77 LYS H 78 GLU H 3.35
&rst
ixpk= 0, nxpk= 0, iat=1293,1315, r1= 1.30, r2= 1.80, r3= 3.35, r4= 3.85, &end
#
# 74 LYS HA 77 LYS H 3.72
&rst
ixpk= 0, nxpk= 0, iat=1248,1293, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22, &end
#
# 77 LYS H 78 GLU QB 4.20
&rst
ixpk= 0, nxpk= 0, iat=1293, -1, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
igr2=1319,1320,
&end
#
# 77 LYS H 77 LYS HB3 3.05
&rst
ixpk= 0, nxpk= 0, iat=1293,1298, r1= 1.30, r2= 1.80, r3= 3.05, r4= 3.55, &end
#
# 76 ALA QB 77 LYS H 3.54
&rst
ixpk= 0, nxpk= 0, iat= -1,1293, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75,
igr1=1287,1288,1289,
&end
#
# 21 LEU QD1 77 LYS H 4.67
&rst
ixpk= 0, nxpk= 0, iat= -1,1293, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 411, 412, 413,
&end
#
# 77 LYS H 77 LYS HG2 4.49
&rst
ixpk= 0, nxpk= 0, iat=1293,1300, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99, &end
#
# 77 LYS H 80 ALA H 5.20
&rst
ixpk= 0, nxpk= 0, iat=1293,1354, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70, &end
#
# 77 LYS H 77 LYS QE 4.58
&rst
ixpk= 0, nxpk= 0, iat=1293, -1, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
igr2=1306,1307,
&end
#
# 52 TYR HD 59 SER H 4.17
&rst
ixpk= 0, nxpk= 0, iat= -1,1018, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,
igr1= 900, 909,
&end
#
# 52 TYR HE 59 SER H 4.61
&rst
ixpk= 0, nxpk= 0, iat= -1,1018, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67,
igr1= 902, 907,
&end
#
# 58 ARG HA 59 SER H 2.87
&rst
ixpk= 0, nxpk= 0, iat= 996,1018, r1= 1.30, r2= 1.80, r3= 2.87, r4= 3.37, &end
#
# 59 SER H 59 SER HB2 3.35
&rst
ixpk= 0, nxpk= 0, iat=1018,1022, r1= 1.30, r2= 1.80, r3= 3.35, r4= 3.85, &end
#
# 57 ARG HD3 59 SER H 4.91
&rst
ixpk= 0, nxpk= 0, iat= 981,1018, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41, &end
#
# 57 ARG HB3 59 SER H 3.81
&rst
ixpk= 0, nxpk= 0, iat= 975,1018, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31, &end
#
# 33 ARG H 35 LEU H 4.36
&rst
ixpk= 0, nxpk= 0, iat= 584, 620, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86, &end
#
# 34 ASP HB3 35 LEU H 3.55
&rst
ixpk= 0, nxpk= 0, iat= 613, 620, r1= 1.30, r2= 1.80, r3= 3.55, r4= 4.05, &end
#
# 34 ASP HB2 35 LEU H 3.76
&rst
ixpk= 0, nxpk= 0, iat= 612, 620, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26, &end
#
# 35 LEU H 35 LEU HB3 3.20
&rst
ixpk= 0, nxpk= 0, iat= 620, 625, r1= 1.30, r2= 1.80, r3= 3.20, r4= 3.70, &end
#
# 33 ARG HB2 35 LEU H 5.08
&rst
ixpk= 0, nxpk= 0, iat= 588, 620, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58, &end
#
# 35 LEU H 35 LEU HG 3.39
&rst
ixpk= 0, nxpk= 0, iat= 620, 627, r1= 1.30, r2= 1.80, r3= 3.39, r4= 3.89, &end
#
# 35 LEU H 35 LEU HB2 3.55
&rst
ixpk= 0, nxpk= 0, iat= 620, 624, r1= 1.30, r2= 1.80, r3= 3.55, r4= 4.05, &end
#
# 35 LEU H 35 LEU QD1 4.23
&rst
ixpk= 0, nxpk= 0, iat= 620, -1, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,
igr2= 629, 630, 631,
&end
#
# 81 ASN H 82 GLY H 4.92
&rst
ixpk= 0, nxpk= 0, iat=1364,1378, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42, &end
#
# 54 GLN H 55 GLN H 3.39
&rst
ixpk= 0, nxpk= 0, iat= 925, 942, r1= 1.30, r2= 1.80, r3= 3.39, r4= 3.89, &end
#
# 55 GLN H 57 ARG H 4.26
&rst
ixpk= 0, nxpk= 0, iat= 942, 970, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76, &end
#
# 53 ASP HB3 55 GLN H 4.53
&rst
ixpk= 0, nxpk= 0, iat= 918, 942, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03, &end
#
# 55 GLN H 55 GLN HG3 3.93
&rst
ixpk= 0, nxpk= 0, iat= 942, 950, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, &end
#
# 54 GLN HB3 55 GLN H 3.03
&rst
ixpk= 0, nxpk= 0, iat= 930, 942, r1= 1.30, r2= 1.80, r3= 3.03, r4= 3.53, &end
#
# 82 GLY H 90 ILE QD1 5.32
&rst
ixpk= 0, nxpk= 0, iat=1378, -1, r1= 1.30, r2= 1.80, r3= 6.39, r4= 6.89,
igr2=1516,1517,1518,
&end
#
# 82 GLY H 82 GLY HA3 2.91
&rst
ixpk= 0, nxpk= 0, iat=1378,1381, r1= 1.30, r2= 1.80, r3= 2.91, r4= 3.41, &end
#
# 81 ASN HB3 82 GLY H 4.39
&rst
ixpk= 0, nxpk= 0, iat=1369,1378, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89, &end
#
# 81 ASN HB2 82 GLY H 4.87
&rst
ixpk= 0, nxpk= 0, iat=1368,1378, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37, &end
#
# 82 GLY H 92 VAL QG1 4.48
&rst
ixpk= 0, nxpk= 0, iat=1378, -1, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88,
igr2=1552,1553,1554,
&end
#
# 57 ARG H 58 ARG H 3.54
&rst
ixpk= 0, nxpk= 0, iat= 970, 994, r1= 1.30, r2= 1.80, r3= 3.54, r4= 4.04, &end
#
# 57 ARG H 57 ARG HA 2.84
&rst
ixpk= 0, nxpk= 0, iat= 970, 972, r1= 1.30, r2= 1.80, r3= 2.84, r4= 3.34, &end
#
# 53 ASP HB2 57 ARG H 4.36
&rst
ixpk= 0, nxpk= 0, iat= 917, 970, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86, &end
#
# 57 ARG H 57 ARG HB2 3.86
&rst
ixpk= 0, nxpk= 0, iat= 970, 974, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36, &end
#
# 70 VAL HA 74 LYS H 5.07
&rst
ixpk= 0, nxpk= 0, iat=1198,1246, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57, &end
#
# 42 TYR H 42 TYR HE 5.11
&rst
ixpk= 0, nxpk= 0, iat= 747, -1, r1= 1.30, r2= 1.80, r3= 5.74, r4= 6.24,
igr2= 757, 762,
&end
#
# 74 LYS H 75 GLU H 3.51
&rst
ixpk= 0, nxpk= 0, iat=1246,1268, r1= 1.30, r2= 1.80, r3= 3.51, r4= 4.01, &end
#
# 72 ASP HA 74 LYS H 4.05
&rst
ixpk= 0, nxpk= 0, iat=1226,1246, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55, &end
#
# 74 LYS H 74 LYS HB3 3.33
&rst
ixpk= 0, nxpk= 0, iat=1246,1251, r1= 1.30, r2= 1.80, r3= 3.33, r4= 3.83, &end
#
# 74 LYS H 74 LYS HG3 3.68
&rst
ixpk= 0, nxpk= 0, iat=1246,1254, r1= 1.30, r2= 1.80, r3= 3.68, r4= 4.18, &end
#
# 74 LYS H 74 LYS HG2 3.53
&rst
ixpk= 0, nxpk= 0, iat=1246,1253, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03, &end
#
# 13 ALA HA 14 ASN H 3.45
&rst
ixpk= 0, nxpk= 0, iat= 304, 312, r1= 1.30, r2= 1.80, r3= 3.45, r4= 3.95, &end
#
# 14 ASN H 14 ASN HB3 3.91
&rst
ixpk= 0, nxpk= 0, iat= 312, 317, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41, &end
#
# 14 ASN H 14 ASN HB2 3.84
&rst
ixpk= 0, nxpk= 0, iat= 312, 316, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34, &end
#
# 13 ALA QB 14 ASN H 4.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 312, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr1= 306, 307, 308,
&end
#
# 42 TYR H 45 ILE QD1 5.24
&rst
ixpk= 0, nxpk= 0, iat= 747, -1, r1= 1.30, r2= 1.80, r3= 6.29, r4= 6.79,
igr2= 802, 803, 804,
&end
#
# 42 TYR H 42 TYR HD 3.53
&rst
ixpk= 0, nxpk= 0, iat= 747, -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
igr2= 755, 764,
&end
#
# 40 SER HA 42 TYR H 4.34
&rst
ixpk= 0, nxpk= 0, iat= 716, 747, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84, &end
#
# 42 TYR H 42 TYR HB3 3.75
&rst
ixpk= 0, nxpk= 0, iat= 747, 752, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25, &end
#
# 42 TYR H 42 TYR HB2 3.60
&rst
ixpk= 0, nxpk= 0, iat= 747, 751, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10, &end
#
# 41 LYS HB2 42 TYR H 3.78
&rst
ixpk= 0, nxpk= 0, iat= 729, 747, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28, &end
#
# 38 VAL HA 42 TYR H 5.48
&rst
ixpk= 0, nxpk= 0, iat= 680, 747, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98, &end
#
# 41 LYS HG3 42 TYR H 5.50
&rst
ixpk= 0, nxpk= 0, iat= 733, 747, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 38 VAL H 39 PHE H 3.51
&rst
ixpk= 0, nxpk= 0, iat= 678, 694, r1= 1.30, r2= 1.80, r3= 3.51, r4= 4.01, &end
#
# 37 GLU HB2 38 VAL H 3.40
&rst
ixpk= 0, nxpk= 0, iat= 667, 678, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90, &end
#
# 38 VAL H 38 VAL HB 3.14
&rst
ixpk= 0, nxpk= 0, iat= 678, 682, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64, &end
#
# 38 VAL H 39 PHE HB2 4.60
&rst
ixpk= 0, nxpk= 0, iat= 678, 698, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, &end
#
# 68 GLU H 69 ASN H 3.83
&rst
ixpk= 0, nxpk= 0, iat=1167,1182, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33, &end
#
# 67 PHE HD 69 ASN H 4.46
&rst
ixpk= 0, nxpk= 0, iat= -1,1182, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51,
igr1=1155,1163,
&end
#
# 67 PHE HB3 69 ASN H 3.93
&rst
ixpk= 0, nxpk= 0, iat=1152,1182, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, &end
#
# 69 ASN H 69 ASN HB3 3.58
&rst
ixpk= 0, nxpk= 0, iat=1182,1187, r1= 1.30, r2= 1.80, r3= 3.58, r4= 4.08, &end
#
# 69 ASN H 69 ASN HB2 3.92
&rst
ixpk= 0, nxpk= 0, iat=1182,1186, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42, &end
#
# 68 GLU HG3 69 ASN H 3.90
&rst
ixpk= 0, nxpk= 0, iat=1175,1182, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40, &end
#
# 68 GLU HG2 69 ASN H 4.21
&rst
ixpk= 0, nxpk= 0, iat=1174,1182, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71, &end
#
# 69 ASN H 73 ALA QB 5.44
&rst
ixpk= 0, nxpk= 0, iat=1182, -1, r1= 1.30, r2= 1.80, r3= 6.53, r4= 7.03,
igr2=1240,1241,1242,
&end
#
# 79 ARG H 81 ASN H 4.55
&rst
ixpk= 0, nxpk= 0, iat=1330,1364, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05, &end
#
# 79 ARG H 79 ARG HG3 3.52
&rst
ixpk= 0, nxpk= 0, iat=1330,1338, r1= 1.30, r2= 1.80, r3= 3.52, r4= 4.02, &end
#
# 79 ARG H 79 ARG HB2 3.46
&rst
ixpk= 0, nxpk= 0, iat=1330,1334, r1= 1.30, r2= 1.80, r3= 3.46, r4= 3.96, &end
#
# 79 ARG H 80 ALA QB 4.63
&rst
ixpk= 0, nxpk= 0, iat=1330, -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
igr2=1358,1359,1360,
&end
#
# 78 GLU QB 79 ARG H 3.31
&rst
ixpk= 0, nxpk= 0, iat= -1,1330, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22,
igr1=1319,1320,
&end
#
# 25 GLY H 26 LEU H 4.30
&rst
ixpk= 0, nxpk= 0, iat= 464, 471, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 26 LEU H 27 SER H 4.68
&rst
ixpk= 0, nxpk= 0, iat= 471, 490, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18, &end
#
# 26 LEU H 26 LEU HG 3.47
&rst
ixpk= 0, nxpk= 0, iat= 471, 478, r1= 1.30, r2= 1.80, r3= 3.47, r4= 3.97, &end
#
# 26 LEU H 26 LEU HB2 3.73
&rst
ixpk= 0, nxpk= 0, iat= 471, 475, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23, &end
#
# 26 LEU H 26 LEU QD2 4.02
&rst
ixpk= 0, nxpk= 0, iat= 471, -1, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
igr2= 484, 485, 486,
&end
#
# 26 LEU H 26 LEU QD1 4.22
&rst
ixpk= 0, nxpk= 0, iat= 471, -1, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,
igr2= 480, 481, 482,
&end
#
# 39 PHE H 40 SER HA 5.34
&rst
ixpk= 0, nxpk= 0, iat= 694, 716, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84, &end
#
# 27 SER H 28 LEU H 5.06
&rst
ixpk= 0, nxpk= 0, iat= 490, 501, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56, &end
#
# 39 PHE H 39 PHE HD 3.35
&rst
ixpk= 0, nxpk= 0, iat= 694, -1, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26,
igr2= 702, 710,
&end
#
# 39 PHE H 42 TYR HD 5.15
&rst
ixpk= 0, nxpk= 0, iat= 694, -1, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28,
igr2= 755, 764,
&end
#
# 39 PHE H 41 LYS H 4.39
&rst
ixpk= 0, nxpk= 0, iat= 694, 725, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89, &end
#
# 35 LEU HA 39 PHE H 4.43
&rst
ixpk= 0, nxpk= 0, iat= 622, 694, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93, &end
#
# 39 PHE H 39 PHE HB3 3.59
&rst
ixpk= 0, nxpk= 0, iat= 694, 699, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09, &end
#
# 39 PHE H 39 PHE HB2 3.38
&rst
ixpk= 0, nxpk= 0, iat= 694, 698, r1= 1.30, r2= 1.80, r3= 3.38, r4= 3.88, &end
#
# 37 GLU HB2 39 PHE H 4.66
&rst
ixpk= 0, nxpk= 0, iat= 667, 694, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16, &end
#
# 38 VAL HB 39 PHE H 3.31
&rst
ixpk= 0, nxpk= 0, iat= 682, 694, r1= 1.30, r2= 1.80, r3= 3.31, r4= 3.81, &end
#
# 38 VAL QG1 39 PHE H 4.08
&rst
ixpk= 0, nxpk= 0, iat= -1, 694, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,
igr1= 684, 685, 686,
&end
#
# 39 PHE H 45 ILE QD1 4.32
&rst
ixpk= 0, nxpk= 0, iat= 694, -1, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,
igr2= 802, 803, 804,
&end
#
# 40 SER H 42 TYR HD 4.93
&rst
ixpk= 0, nxpk= 0, iat= 714, -1, r1= 1.30, r2= 1.80, r3= 5.53, r4= 6.03,
igr2= 755, 764,
&end
#
# 40 SER H 41 LYS H 3.58
&rst
ixpk= 0, nxpk= 0, iat= 714, 725, r1= 1.30, r2= 1.80, r3= 3.58, r4= 4.08, &end
#
# 39 PHE HB3 40 SER H 4.12
&rst
ixpk= 0, nxpk= 0, iat= 699, 714, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62, &end
#
# 40 SER H 45 ILE HG12 5.02
&rst
ixpk= 0, nxpk= 0, iat= 714, 799, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52, &end
#
# 39 PHE H 40 SER H 3.49
&rst
ixpk= 0, nxpk= 0, iat= 694, 714, r1= 1.30, r2= 1.80, r3= 3.49, r4= 3.99, &end
#
# 39 PHE HD 40 SER H 4.33
&rst
ixpk= 0, nxpk= 0, iat= -1, 714, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
igr1= 702, 710,
&end
#
# 40 SER H 40 SER HB2 3.33
&rst
ixpk= 0, nxpk= 0, iat= 714, 718, r1= 1.30, r2= 1.80, r3= 3.33, r4= 3.83, &end
#
# 38 VAL HA 40 SER H 4.74
&rst
ixpk= 0, nxpk= 0, iat= 680, 714, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24, &end
#
# 39 PHE HB2 40 SER H 4.05
&rst
ixpk= 0, nxpk= 0, iat= 698, 714, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55, &end
#
# 38 VAL HB 40 SER H 5.48
&rst
ixpk= 0, nxpk= 0, iat= 682, 714, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98, &end
#
# 40 SER H 45 ILE HG13 4.29
&rst
ixpk= 0, nxpk= 0, iat= 714, 800, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79, &end
#
# 38 VAL QG2 40 SER H 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 714, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 688, 689, 690,
&end
#
# 40 SER H 45 ILE QG2 5.04
&rst
ixpk= 0, nxpk= 0, iat= 714, -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
igr2= 795, 796, 797,
&end
#
# 40 SER H 45 ILE QD1 4.15
&rst
ixpk= 0, nxpk= 0, iat= 714, -1, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48,
igr2= 802, 803, 804,
&end
#
# 27 SER HA 29 TYR H 4.13
&rst
ixpk= 0, nxpk= 0, iat= 492, 520, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63, &end
#
# 27 SER QB 29 TYR H 4.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 520, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1= 494, 495,
&end
#
# 29 TYR H 29 TYR HB3 3.73
&rst
ixpk= 0, nxpk= 0, iat= 520, 525, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23, &end
#
# 29 TYR H 29 TYR HB2 3.61
&rst
ixpk= 0, nxpk= 0, iat= 520, 524, r1= 1.30, r2= 1.80, r3= 3.61, r4= 4.11, &end
#
# 28 LEU QB 29 TYR H 3.88
&rst
ixpk= 0, nxpk= 0, iat= -1, 520, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86,
igr1= 505, 506,
&end
#
# 28 LEU QD2 29 TYR H 5.41
&rst
ixpk= 0, nxpk= 0, iat= -1, 520, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,
igr1= 514, 515, 516,
&end
#
# 28 LEU QD1 29 TYR H 5.40
&rst
ixpk= 0, nxpk= 0, iat= -1, 520, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
igr1= 510, 511, 512,
&end
#
# 76 ALA H 78 GLU H 4.88
&rst
ixpk= 0, nxpk= 0, iat=1283,1315, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38, &end
#
# 78 GLU H 79 ARG H 3.14
&rst
ixpk= 0, nxpk= 0, iat=1315,1330, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64, &end
#
# 78 GLU H 79 ARG HA 5.30
&rst
ixpk= 0, nxpk= 0, iat=1315,1332, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, &end
#
# 78 GLU H 78 GLU HG3 3.74
&rst
ixpk= 0, nxpk= 0, iat=1315,1323, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24, &end
#
# 78 GLU H 78 GLU QB 3.05
&rst
ixpk= 0, nxpk= 0, iat=1315, -1, r1= 1.30, r2= 1.80, r3= 3.42, r4= 3.92,
igr2=1319,1320,
&end
#
# 77 LYS HB3 78 GLU H 4.02
&rst
ixpk= 0, nxpk= 0, iat=1298,1315, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52, &end
#
# 77 LYS QD 78 GLU H 4.12
&rst
ixpk= 0, nxpk= 0, iat= -1,1315, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
igr1=1303,1304,
&end
#
# 77 LYS HG3 78 GLU H 4.92
&rst
ixpk= 0, nxpk= 0, iat=1301,1315, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42, &end
#
# 77 LYS HG2 78 GLU H 5.21
&rst
ixpk= 0, nxpk= 0, iat=1300,1315, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71, &end
#
# 26 LEU HA 27 SER H 2.98
&rst
ixpk= 0, nxpk= 0, iat= 473, 490, r1= 1.30, r2= 1.80, r3= 2.98, r4= 3.48, &end
#
# 27 SER H 88 ARG QD 4.94
&rst
ixpk= 0, nxpk= 0, iat= 490, -1, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,
igr2=1465,1466,
&end
#
# 26 LEU HB3 27 SER H 4.64
&rst
ixpk= 0, nxpk= 0, iat= 476, 490, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14, &end
#
# 26 LEU QD2 27 SER H 4.23
&rst
ixpk= 0, nxpk= 0, iat= -1, 490, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,
igr1= 484, 485, 486,
&end
#
# 26 LEU QD1 27 SER H 5.16
&rst
ixpk= 0, nxpk= 0, iat= -1, 490, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70,
igr1= 480, 481, 482,
&end
#
# 47 ASP H 66 TYR HB2 3.73
&rst
ixpk= 0, nxpk= 0, iat= 818,1130, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23, &end
#
# 47 ASP H 68 GLU HG2 5.12
&rst
ixpk= 0, nxpk= 0, iat= 818,1174, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62, &end
#
# 46 ALA H 47 ASP H 3.34
&rst
ixpk= 0, nxpk= 0, iat= 808, 818, r1= 1.30, r2= 1.80, r3= 3.34, r4= 3.84, &end
#
# 47 ASP H 66 TYR H 3.94
&rst
ixpk= 0, nxpk= 0, iat= 818,1126, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44, &end
#
# 47 ASP H 65 VAL HA 4.86
&rst
ixpk= 0, nxpk= 0, iat= 818,1112, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36, &end
#
# 45 ILE HA 47 ASP H 4.13
&rst
ixpk= 0, nxpk= 0, iat= 791, 818, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63, &end
#
# 47 ASP H 66 TYR HB3 3.44
&rst
ixpk= 0, nxpk= 0, iat= 818,1131, r1= 1.30, r2= 1.80, r3= 3.44, r4= 3.94, &end
#
# 47 ASP H 47 ASP HB3 4.03
&rst
ixpk= 0, nxpk= 0, iat= 818, 823, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53, &end
#
# 47 ASP H 47 ASP HB2 3.84
&rst
ixpk= 0, nxpk= 0, iat= 818, 822, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34, &end
#
# 45 ILE HB 47 ASP H 4.91
&rst
ixpk= 0, nxpk= 0, iat= 793, 818, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41, &end
#
# 46 ALA QB 47 ASP H 3.55
&rst
ixpk= 0, nxpk= 0, iat= -1, 818, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76,
igr1= 812, 813, 814,
&end
#
# 45 ILE QG2 47 ASP H 3.48
&rst
ixpk= 0, nxpk= 0, iat= -1, 818, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68,
igr1= 795, 796, 797,
&end
#
# 47 ASP H 65 VAL QG2 4.83
&rst
ixpk= 0, nxpk= 0, iat= 818, -1, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
igr2=1120,1121,1122,
&end
#
# 47 ASP H 66 TYR HD 4.57
&rst
ixpk= 0, nxpk= 0, iat= 818, -1, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63,
igr2=1134,1143,
&end
#
# 64 PHE H 65 VAL H 4.82
&rst
ixpk= 0, nxpk= 0, iat=1090,1110, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32, &end
#
# 64 PHE H 64 PHE HD 4.15
&rst
ixpk= 0, nxpk= 0, iat=1090, -1, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,
igr2=1098,1106,
&end
#
# 63 ALA HA 64 PHE H 3.28
&rst
ixpk= 0, nxpk= 0, iat=1082,1090, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78, &end
#
# 49 SER HB3 64 PHE H 4.55
&rst
ixpk= 0, nxpk= 0, iat= 851,1090, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05, &end
#
# 50 ILE HA 64 PHE H 3.93
&rst
ixpk= 0, nxpk= 0, iat= 859,1090, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, &end
#
# 64 PHE H 64 PHE HB3 4.07
&rst
ixpk= 0, nxpk= 0, iat=1090,1095, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57, &end
#
# 64 PHE H 64 PHE HB2 4.06
&rst
ixpk= 0, nxpk= 0, iat=1090,1094, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56, &end
#
# 63 ALA QB 64 PHE H 3.45
&rst
ixpk= 0, nxpk= 0, iat= -1,1090, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64,
igr1=1084,1085,1086,
&end
#
# 23 VAL QG2 64 PHE H 5.35
&rst
ixpk= 0, nxpk= 0, iat= -1,1090, r1= 1.30, r2= 1.80, r3= 6.43, r4= 6.93,
igr1= 438, 439, 440,
&end
#
# 51 VAL H 64 PHE H 4.72
&rst
ixpk= 0, nxpk= 0, iat= 876,1090, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, &end
#
# 50 ILE HG13 64 PHE H 5.50
&rst
ixpk= 0, nxpk= 0, iat= 868,1090, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 94 PHE HB3 95 SER H 4.56
&rst
ixpk= 0, nxpk= 0, iat=1579,1594, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06, &end
#
# 94 PHE HB2 95 SER H 4.83
&rst
ixpk= 0, nxpk= 0, iat=1578,1594, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33, &end
#
# 21 LEU HA 95 SER H 4.06
&rst
ixpk= 0, nxpk= 0, iat= 404,1594, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56, &end
#
# 21 LEU QD1 95 SER H 4.98
&rst
ixpk= 0, nxpk= 0, iat= -1,1594, r1= 1.30, r2= 1.80, r3= 5.98, r4= 6.48,
igr1= 411, 412, 413,
&end
#
# 96 ILE QD1 97 THR H 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1624, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1618,1619,1620,
&end
#
# 96 ILE HB 97 THR H 4.90
&rst
ixpk= 0, nxpk= 0, iat=1609,1624, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40, &end
#
# 81 ASN H 83 MET H 4.93
&rst
ixpk= 0, nxpk= 0, iat=1364,1385, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43, &end
#
# 78 GLU HA 81 ASN H 5.13
&rst
ixpk= 0, nxpk= 0, iat=1317,1364, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63, &end
#
# 81 ASN H 81 ASN HB3 3.49
&rst
ixpk= 0, nxpk= 0, iat=1364,1369, r1= 1.30, r2= 1.80, r3= 3.49, r4= 3.99, &end
#
# 81 ASN H 81 ASN HB2 3.54
&rst
ixpk= 0, nxpk= 0, iat=1364,1368, r1= 1.30, r2= 1.80, r3= 3.54, r4= 4.04, &end
#
# 81 ASN H 92 VAL QG1 4.93
&rst
ixpk= 0, nxpk= 0, iat=1364, -1, r1= 1.30, r2= 1.80, r3= 5.92, r4= 6.42,
igr2=1552,1553,1554,
&end
#
# 54 GLN H 56 SER H 4.58
&rst
ixpk= 0, nxpk= 0, iat= 925, 959, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08, &end
#
# 56 SER H 57 ARG H 3.20
&rst
ixpk= 0, nxpk= 0, iat= 959, 970, r1= 1.30, r2= 1.80, r3= 3.20, r4= 3.70, &end
#
# 56 SER H 58 ARG H 4.94
&rst
ixpk= 0, nxpk= 0, iat= 959, 994, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44, &end
#
# 56 SER H 56 SER QB 3.45
&rst
ixpk= 0, nxpk= 0, iat= 959, -1, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37,
igr2= 963, 964,
&end
#
# 53 ASP HB2 56 SER H 4.32
&rst
ixpk= 0, nxpk= 0, iat= 917, 959, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82, &end
#
# 55 GLN HG3 56 SER H 4.43
&rst
ixpk= 0, nxpk= 0, iat= 950, 959, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93, &end
#
# 55 GLN HB3 56 SER H 3.06
&rst
ixpk= 0, nxpk= 0, iat= 947, 959, r1= 1.30, r2= 1.80, r3= 3.06, r4= 3.56, &end
#
# 56 SER H 57 ARG HB3 4.80
&rst
ixpk= 0, nxpk= 0, iat= 959, 975, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, &end
#
# 56 SER H 57 ARG HB2 5.15
&rst
ixpk= 0, nxpk= 0, iat= 959, 974, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65, &end
#
# 53 ASP HB3 56 SER H 4.60
&rst
ixpk= 0, nxpk= 0, iat= 918, 959, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, &end
#
# 62 PHE H 62 PHE HD 4.56
&rst
ixpk= 0, nxpk= 0, iat=1060, -1, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
igr2=1068,1076,
&end
#
# 50 ILE QG2 62 PHE H 5.11
&rst
ixpk= 0, nxpk= 0, iat= -1,1060, r1= 1.30, r2= 1.80, r3= 6.14, r4= 6.64,
igr1= 863, 864, 865,
&end
#
# 60 ARG HB2 62 PHE H 4.81
&rst
ixpk= 0, nxpk= 0, iat=1033,1060, r1= 1.30, r2= 1.80, r3= 4.81, r4= 5.31, &end
#
# 21 LEU HA 22 GLY H 3.29
&rst
ixpk= 0, nxpk= 0, iat= 404, 421, r1= 1.30, r2= 1.80, r3= 3.29, r4= 3.79, &end
#
# 21 LEU HB3 22 GLY H 4.32
&rst
ixpk= 0, nxpk= 0, iat= 407, 421, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82, &end
#
# 21 LEU HB2 22 GLY H 3.96
&rst
ixpk= 0, nxpk= 0, iat= 406, 421, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46, &end
#
# 21 LEU QD1 22 GLY H 4.48
&rst
ixpk= 0, nxpk= 0, iat= -1, 421, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88,
igr1= 411, 412, 413,
&end
#
# 22 GLY H 23 VAL QG2 5.17
&rst
ixpk= 0, nxpk= 0, iat= 421, -1, r1= 1.30, r2= 1.80, r3= 6.21, r4= 6.71,
igr2= 438, 439, 440,
&end
#
# 61 GLY H 62 PHE H 3.64
&rst
ixpk= 0, nxpk= 0, iat=1053,1060, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14, &end
#
# 60 ARG QD 61 GLY H 5.20
&rst
ixpk= 0, nxpk= 0, iat= -1,1053, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
igr1=1039,1040,
&end
#
# 60 ARG HB3 61 GLY H 5.00
&rst
ixpk= 0, nxpk= 0, iat=1034,1053, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 60 ARG QG 61 GLY H 4.82
&rst
ixpk= 0, nxpk= 0, iat= -1,1053, r1= 1.30, r2= 1.80, r3= 5.41, r4= 5.91,
igr1=1036,1037,
&end
#
# 60 ARG HB2 61 GLY H 4.36
&rst
ixpk= 0, nxpk= 0, iat=1033,1053, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86, &end
#
# 28 LEU QD1 61 GLY H 4.12
&rst
ixpk= 0, nxpk= 0, iat= -1,1053, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1= 510, 511, 512,
&end
#
# 43 GLY H 76 ALA QB 5.50
&rst
ixpk= 0, nxpk= 0, iat= 768, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1287,1288,1289,
&end
#
# 40 SER H 43 GLY H 5.31
&rst
ixpk= 0, nxpk= 0, iat= 714, 768, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81, &end
#
# 41 LYS H 43 GLY H 4.75
&rst
ixpk= 0, nxpk= 0, iat= 725, 768, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25, &end
#
# 41 LYS HB2 43 GLY H 5.28
&rst
ixpk= 0, nxpk= 0, iat= 729, 768, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78, &end
#
# 42 TYR H 43 GLY H 3.35
&rst
ixpk= 0, nxpk= 0, iat= 747, 768, r1= 1.30, r2= 1.80, r3= 3.35, r4= 3.85, &end
#
# 42 TYR HB3 43 GLY H 4.31
&rst
ixpk= 0, nxpk= 0, iat= 752, 768, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81, &end
#
# 42 TYR HB2 43 GLY H 4.12
&rst
ixpk= 0, nxpk= 0, iat= 751, 768, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62, &end
#
# 43 GLY H 45 ILE QD1 5.22
&rst
ixpk= 0, nxpk= 0, iat= 768, -1, r1= 1.30, r2= 1.80, r3= 6.27, r4= 6.77,
igr2= 802, 803, 804,
&end
#
# 86 ASP H 87 GLY H 3.66
&rst
ixpk= 0, nxpk= 0, iat=1436,1448, r1= 1.30, r2= 1.80, r3= 3.66, r4= 4.16, &end
#
# 85 LEU H 87 GLY H 4.65
&rst
ixpk= 0, nxpk= 0, iat=1417,1448, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15, &end
#
# 87 GLY H 88 ARG H 3.49
&rst
ixpk= 0, nxpk= 0, iat=1448,1455, r1= 1.30, r2= 1.80, r3= 3.49, r4= 3.99, &end
#
# 86 ASP HA 87 GLY H 3.30
&rst
ixpk= 0, nxpk= 0, iat=1438,1448, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 86 ASP HB2 87 GLY H 4.62
&rst
ixpk= 0, nxpk= 0, iat=1440,1448, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12, &end
#
# 84 GLU HG2 87 GLY H 4.37
&rst
ixpk= 0, nxpk= 0, iat=1409,1448, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87, &end
#
# 85 LEU QD2 87 GLY H 5.35
&rst
ixpk= 0, nxpk= 0, iat= -1,1448, r1= 1.30, r2= 1.80, r3= 6.43, r4= 6.93,
igr1=1430,1431,1432,
&end
#
# 85 LEU HA 87 GLY H 4.52
&rst
ixpk= 0, nxpk= 0, iat=1419,1448, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02, &end
#
# 86 ASP HB3 87 GLY H 4.74
&rst
ixpk= 0, nxpk= 0, iat=1441,1448, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24, &end
#
# 30 THR HB 31 THR H 4.43
&rst
ixpk= 0, nxpk= 0, iat= 545, 555, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93, &end
#
# 38 VAL HA 41 LYS QE 4.47
&rst
ixpk= 0, nxpk= 0, iat= 680, -1, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52,
igr2= 738, 739,
&end
#
# 49 SER HB3 50 ILE H 4.16
&rst
ixpk= 0, nxpk= 0, iat= 851, 857, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66, &end
#
# 49 SER H 49 SER HB3 3.97
&rst
ixpk= 0, nxpk= 0, iat= 846, 851, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47, &end
#
# 49 SER HB3 63 ALA QB 4.59
&rst
ixpk= 0, nxpk= 0, iat= 851, -1, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01,
igr2=1084,1085,1086,
&end
#
# 49 SER H 49 SER HB2 3.75
&rst
ixpk= 0, nxpk= 0, iat= 846, 850, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25, &end
#
# 49 SER HB2 50 ILE H 4.16
&rst
ixpk= 0, nxpk= 0, iat= 850, 857, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66, &end
#
# 49 SER HB2 64 PHE HB2 4.42
&rst
ixpk= 0, nxpk= 0, iat= 850,1094, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92, &end
#
# 37 GLU HB2 38 VAL HA 4.18
&rst
ixpk= 0, nxpk= 0, iat= 667, 680, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68, &end
#
# 38 VAL HA 38 VAL QG1 3.44
&rst
ixpk= 0, nxpk= 0, iat= 680, -1, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63,
igr2= 684, 685, 686,
&end
#
# 70 VAL HA 73 ALA H 4.16
&rst
ixpk= 0, nxpk= 0, iat=1198,1236, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66, &end
#
# 70 VAL HA 73 ALA QB 3.77
&rst
ixpk= 0, nxpk= 0, iat=1198, -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
igr2=1240,1241,1242,
&end
#
# 70 VAL HA 70 VAL QG1 3.35
&rst
ixpk= 0, nxpk= 0, iat=1198, -1, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52,
igr2=1202,1203,1204,
&end
#
# 70 VAL HA 73 ALA HA 4.33
&rst
ixpk= 0, nxpk= 0, iat=1198,1238, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83, &end
#
# 49 SER HB3 64 PHE HD 4.36
&rst
ixpk= 0, nxpk= 0, iat= 851, -1, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39,
igr2=1098,1106,
&end
#
# 70 VAL HA 72 ASP H 4.80
&rst
ixpk= 0, nxpk= 0, iat=1198,1224, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, &end
#
# 95 SER H 95 SER QB 3.75
&rst
ixpk= 0, nxpk= 0, iat=1594, -1, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71,
igr2=1598,1599,
&end
#
# 30 THR HA 34 ASP HB2 4.48
&rst
ixpk= 0, nxpk= 0, iat= 543, 612, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98, &end
#
# 30 THR HA 34 ASP HB3 4.73
&rst
ixpk= 0, nxpk= 0, iat= 543, 613, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23, &end
#
# 59 SER HB3 60 ARG H 4.73
&rst
ixpk= 0, nxpk= 0, iat=1023,1029, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23, &end
#
# 59 SER H 59 SER HB3 3.86
&rst
ixpk= 0, nxpk= 0, iat=1018,1023, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36, &end
#
# 52 TYR HA 59 SER HB3 2.95
&rst
ixpk= 0, nxpk= 0, iat= 894,1023, r1= 1.30, r2= 1.80, r3= 2.95, r4= 3.45, &end
#
# 58 ARG HA 59 SER HB2 4.53
&rst
ixpk= 0, nxpk= 0, iat= 996,1022, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03, &end
#
# 27 SER QB 86 ASP HB3 3.82
&rst
ixpk= 0, nxpk= 0, iat= -1,1441, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79,
igr1= 494, 495,
&end
#
# 27 SER H 27 SER QB 3.45
&rst
ixpk= 0, nxpk= 0, iat= 490, -1, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37,
igr2= 494, 495,
&end
#
# 27 SER QB 88 ARG QD 4.10
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67,
igr1= 494, 495,
igr2=1465,1466,
&end
#
# 26 LEU QD2 27 SER QB 5.26
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.09, r4= 7.59,
igr1= 484, 485, 486,
igr2= 494, 495,
&end
#
# 27 SER QB 28 LEU QB 5.29
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.66, r4= 7.16,
igr1= 494, 495,
igr2= 505, 506,
&end
#
# 40 SER HB2 45 ILE QD1 4.56
&rst
ixpk= 0, nxpk= 0, iat= 718, -1, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98,
igr2= 802, 803, 804,
&end
#
# 39 PHE HA 42 TYR HE 3.86
&rst
ixpk= 0, nxpk= 0, iat= 696, -1, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,
igr2= 757, 762,
&end
#
# 17 PRO HA 18 ASN H 2.93
&rst
ixpk= 0, nxpk= 0, iat= 362, 366, r1= 1.30, r2= 1.80, r3= 2.93, r4= 3.43, &end
#
# 44 PRO HA 45 ILE H 3.43
&rst
ixpk= 0, nxpk= 0, iat= 785, 789, r1= 1.30, r2= 1.80, r3= 3.43, r4= 3.93, &end
#
# 39 PHE H 40 SER HB3 4.58
&rst
ixpk= 0, nxpk= 0, iat= 694, 719, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08, &end
#
# 40 SER H 40 SER HB3 3.77
&rst
ixpk= 0, nxpk= 0, iat= 714, 719, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27, &end
#
# 40 SER HB3 41 LYS H 4.86
&rst
ixpk= 0, nxpk= 0, iat= 719, 725, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36, &end
#
# 40 SER HB3 45 ILE QD1 4.50
&rst
ixpk= 0, nxpk= 0, iat= 719, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 802, 803, 804,
&end
#
# 40 SER HB3 45 ILE HG13 4.66
&rst
ixpk= 0, nxpk= 0, iat= 719, 800, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16, &end
#
# 39 PHE HA 39 PHE HD 3.79
&rst
ixpk= 0, nxpk= 0, iat= 696, -1, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75,
igr2= 702, 710,
&end
#
# 39 PHE HA 42 TYR HD 3.41
&rst
ixpk= 0, nxpk= 0, iat= 696, -1, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33,
igr2= 755, 764,
&end
#
# 39 PHE HA 45 ILE QD1 4.94
&rst
ixpk= 0, nxpk= 0, iat= 696, -1, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43,
igr2= 802, 803, 804,
&end
#
# 40 SER HB2 41 LYS H 4.67
&rst
ixpk= 0, nxpk= 0, iat= 718, 725, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17, &end
#
# 51 VAL HA 52 TYR HD 4.63
&rst
ixpk= 0, nxpk= 0, iat= 878, -1, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,
igr2= 900, 909,
&end
#
# 48 VAL HA 48 VAL QG1 3.52
&rst
ixpk= 0, nxpk= 0, iat= 832, -1, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73,
igr2= 836, 837, 838,
&end
#
# 48 VAL HA 49 SER HB2 4.31
&rst
ixpk= 0, nxpk= 0, iat= 832, 850, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81, &end
#
# 48 VAL HA 49 SER H 3.18
&rst
ixpk= 0, nxpk= 0, iat= 832, 846, r1= 1.30, r2= 1.80, r3= 3.18, r4= 3.68, &end
#
# 90 ILE HA 90 ILE QG2 3.43
&rst
ixpk= 0, nxpk= 0, iat=1505, -1, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62,
igr2=1509,1510,1511,
&end
#
# 48 VAL HA 65 VAL QG2 4.20
&rst
ixpk= 0, nxpk= 0, iat= 832, -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr2=1120,1121,1122,
&end
#
# 40 SER HA 43 GLY H 3.95
&rst
ixpk= 0, nxpk= 0, iat= 716, 768, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45, &end
#
# 40 SER HA 45 ILE HG13 4.01
&rst
ixpk= 0, nxpk= 0, iat= 716, 800, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51, &end
#
# 40 SER HA 45 ILE HG12 3.69
&rst
ixpk= 0, nxpk= 0, iat= 716, 799, r1= 1.30, r2= 1.80, r3= 3.69, r4= 4.19, &end
#
# 40 SER HA 45 ILE QD1 3.85
&rst
ixpk= 0, nxpk= 0, iat= 716, -1, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
igr2= 802, 803, 804,
&end
#
# 40 SER HA 45 ILE H 4.64
&rst
ixpk= 0, nxpk= 0, iat= 716, 789, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14, &end
#
# 45 ILE QG2 65 VAL HA 4.88
&rst
ixpk= 0, nxpk= 0, iat= -1,1112, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36,
igr1= 795, 796, 797,
&end
#
# 49 SER H 65 VAL HA 4.17
&rst
ixpk= 0, nxpk= 0, iat= 846,1112, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67, &end
#
# 65 VAL HA 66 TYR HD 4.48
&rst
ixpk= 0, nxpk= 0, iat=1112, -1, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,
igr2=1134,1143,
&end
#
# 48 VAL HA 65 VAL HA 3.66
&rst
ixpk= 0, nxpk= 0, iat= 832,1112, r1= 1.30, r2= 1.80, r3= 3.66, r4= 4.16, &end
#
# 48 VAL QG1 65 VAL HA 3.92
&rst
ixpk= 0, nxpk= 0, iat= -1,1112, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
igr1= 836, 837, 838,
&end
#
# 65 VAL HA 65 VAL QG1 3.57
&rst
ixpk= 0, nxpk= 0, iat=1112, -1, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79,
igr2=1116,1117,1118,
&end
#
# 50 ILE HA 63 ALA QB 3.43
&rst
ixpk= 0, nxpk= 0, iat= 859, -1, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62,
igr2=1084,1085,1086,
&end
#
# 32 GLU HA 50 ILE HG13 4.69
&rst
ixpk= 0, nxpk= 0, iat= 571, 868, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19, &end
#
# 32 GLU HA 36 ARG H 4.72
&rst
ixpk= 0, nxpk= 0, iat= 571, 639, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, &end
#
# 32 GLU HA 35 LEU H 4.20
&rst
ixpk= 0, nxpk= 0, iat= 571, 620, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 50 ILE HA 50 ILE QD1 4.75
&rst
ixpk= 0, nxpk= 0, iat= 859, -1, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,
igr2= 870, 871, 872,
&end
#
# 31 THR HA 32 GLU HA 4.41
&rst
ixpk= 0, nxpk= 0, iat= 557, 571, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91, &end
#
# 23 VAL HA 23 VAL QG1 3.91
&rst
ixpk= 0, nxpk= 0, iat= 430, -1, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,
igr2= 434, 435, 436,
&end
#
# 23 VAL HA 92 VAL HA 3.96
&rst
ixpk= 0, nxpk= 0, iat= 430,1548, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46, &end
#
# 36 ARG HA 36 ARG QB 3.01
&rst
ixpk= 0, nxpk= 0, iat= 641, -1, r1= 1.30, r2= 1.80, r3= 3.38, r4= 3.88,
igr2= 643, 644,
&end
#
# 36 ARG HA 48 VAL QG1 3.91
&rst
ixpk= 0, nxpk= 0, iat= 641, -1, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,
igr2= 836, 837, 838,
&end
#
# 74 LYS HA 74 LYS HG2 3.46
&rst
ixpk= 0, nxpk= 0, iat=1248,1253, r1= 1.30, r2= 1.80, r3= 3.46, r4= 3.96, &end
#
# 70 VAL QG2 74 LYS HA 4.85
&rst
ixpk= 0, nxpk= 0, iat= -1,1248, r1= 1.30, r2= 1.80, r3= 5.82, r4= 6.32,
igr1=1206,1207,1208,
&end
#
# 77 LYS HA 78 GLU HA 4.88
&rst
ixpk= 0, nxpk= 0, iat=1295,1317, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38, &end
#
# 77 LYS HA 92 VAL HB 4.16
&rst
ixpk= 0, nxpk= 0, iat=1295,1550, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66, &end
#
# 77 LYS HA 77 LYS HG3 3.26
&rst
ixpk= 0, nxpk= 0, iat=1295,1301, r1= 1.30, r2= 1.80, r3= 3.26, r4= 3.76, &end
#
# 23 VAL QG1 92 VAL HA 4.66
&rst
ixpk= 0, nxpk= 0, iat= -1,1548, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,
igr1= 434, 435, 436,
&end
#
# 23 VAL QG2 92 VAL HA 4.65
&rst
ixpk= 0, nxpk= 0, iat= -1,1548, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08,
igr1= 438, 439, 440,
&end
#
# 92 VAL HA 93 ASP H 3.21
&rst
ixpk= 0, nxpk= 0, iat=1548,1562, r1= 1.30, r2= 1.80, r3= 3.21, r4= 3.71, &end
#
# 92 VAL HA 92 VAL QG1 3.68
&rst
ixpk= 0, nxpk= 0, iat=1548, -1, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92,
igr2=1552,1553,1554,
&end
#
# 37 GLU HA 38 VAL HA 4.43
&rst
ixpk= 0, nxpk= 0, iat= 665, 680, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93, &end
#
# 36 ARG HA 37 GLU HA 4.63
&rst
ixpk= 0, nxpk= 0, iat= 641, 665, r1= 1.30, r2= 1.80, r3= 4.63, r4= 5.13, &end
#
# 77 LYS HA 77 LYS QE 4.86
&rst
ixpk= 0, nxpk= 0, iat=1295, -1, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96,
igr2=1306,1307,
&end
#
# 33 ARG HA 33 ARG HB3 2.95
&rst
ixpk= 0, nxpk= 0, iat= 586, 589, r1= 1.30, r2= 1.80, r3= 2.95, r4= 3.45, &end
#
# 33 ARG HA 33 ARG HD3 4.74
&rst
ixpk= 0, nxpk= 0, iat= 586, 595, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24, &end
#
# 33 ARG HA 33 ARG QG 3.84
&rst
ixpk= 0, nxpk= 0, iat= 586, -1, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81,
igr2= 591, 592,
&end
#
# 42 TYR HA 76 ALA QB 5.06
&rst
ixpk= 0, nxpk= 0, iat= 749, -1, r1= 1.30, r2= 1.80, r3= 6.08, r4= 6.58,
igr2=1287,1288,1289,
&end
#
# 67 PHE HA 68 GLU HA 4.51
&rst
ixpk= 0, nxpk= 0, iat=1149,1169, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01, &end
#
# 68 GLU HA 68 GLU HG2 3.00
&rst
ixpk= 0, nxpk= 0, iat=1169,1174, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 46 ALA QB 68 GLU HA 4.16
&rst
ixpk= 0, nxpk= 0, iat= -1,1169, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
igr1= 812, 813, 814,
&end
#
# 45 ILE HA 46 ALA QB 4.55
&rst
ixpk= 0, nxpk= 0, iat= 791, -1, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96,
igr2= 812, 813, 814,
&end
#
# 45 ILE HA 67 PHE HA 3.64
&rst
ixpk= 0, nxpk= 0, iat= 791,1149, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14, &end
#
# 68 GLU HA 70 VAL QG1 5.21
&rst
ixpk= 0, nxpk= 0, iat=1169, -1, r1= 1.30, r2= 1.80, r3= 6.26, r4= 6.76,
igr2=1202,1203,1204,
&end
#
# 78 GLU HA 81 ASN HB3 4.14
&rst
ixpk= 0, nxpk= 0, iat=1317,1369, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64, &end
#
# 54 GLN HA 54 GLN HG2 3.61
&rst
ixpk= 0, nxpk= 0, iat= 927, 932, r1= 1.30, r2= 1.80, r3= 3.61, r4= 4.11, &end
#
# 78 GLU HA 78 GLU HG2 3.56
&rst
ixpk= 0, nxpk= 0, iat=1317,1322, r1= 1.30, r2= 1.80, r3= 3.56, r4= 4.06, &end
#
# 78 GLU HA 78 GLU QB 2.79
&rst
ixpk= 0, nxpk= 0, iat=1317, -1, r1= 1.30, r2= 1.80, r3= 3.13, r4= 3.63,
igr2=1319,1320,
&end
#
# 77 LYS HB3 78 GLU HA 4.39
&rst
ixpk= 0, nxpk= 0, iat=1298,1317, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89, &end
#
# 77 LYS QD 78 GLU HA 4.37
&rst
ixpk= 0, nxpk= 0, iat= -1,1317, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,
igr1=1303,1304,
&end
#
# 55 GLN HA 55 GLN HB3 2.84
&rst
ixpk= 0, nxpk= 0, iat= 944, 947, r1= 1.30, r2= 1.80, r3= 2.84, r4= 3.34, &end
#
# 52 TYR HD 59 SER HA 4.24
&rst
ixpk= 0, nxpk= 0, iat= -1,1020, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr1= 900, 909,
&end
#
# 55 GLN HA 55 GLN HG2 3.51
&rst
ixpk= 0, nxpk= 0, iat= 944, 949, r1= 1.30, r2= 1.80, r3= 3.51, r4= 4.01, &end
#
# 11 ASN HA 12 ARG HA 4.82
&rst
ixpk= 0, nxpk= 0, iat= 266, 280, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32, &end
#
# 41 LYS HA 41 LYS HB2 3.00
&rst
ixpk= 0, nxpk= 0, iat= 727, 729, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 52 TYR H 59 SER HA 4.97
&rst
ixpk= 0, nxpk= 0, iat= 892,1020, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47, &end
#
# 52 TYR HA 59 SER HA 3.47
&rst
ixpk= 0, nxpk= 0, iat= 894,1020, r1= 1.30, r2= 1.80, r3= 3.47, r4= 3.97, &end
#
# 34 ASP HA 34 ASP HB2 2.94
&rst
ixpk= 0, nxpk= 0, iat= 610, 612, r1= 1.30, r2= 1.80, r3= 2.94, r4= 3.44, &end
#
# 27 SER HA 27 SER QB 3.00
&rst
ixpk= 0, nxpk= 0, iat= 492, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2= 494, 495,
&end
#
# 35 LEU HA 39 PHE HE 4.45
&rst
ixpk= 0, nxpk= 0, iat= 622, -1, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49,
igr2= 704, 708,
&end
#
# 41 LYS HA 43 GLY H 4.88
&rst
ixpk= 0, nxpk= 0, iat= 727, 768, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38, &end
#
# 41 LYS HA 41 LYS QE 4.55
&rst
ixpk= 0, nxpk= 0, iat= 727, -1, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61,
igr2= 738, 739,
&end
#
# 21 LEU H 66 TYR HA 4.44
&rst
ixpk= 0, nxpk= 0, iat= 402,1128, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94, &end
#
# 66 TYR HA 66 TYR HD 4.36
&rst
ixpk= 0, nxpk= 0, iat=1128, -1, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39,
igr2=1134,1143,
&end
#
# 29 TYR HA 29 TYR HE 4.63
&rst
ixpk= 0, nxpk= 0, iat= 522, -1, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,
igr2= 530, 535,
&end
#
# 34 ASP HA 37 GLU HB2 3.57
&rst
ixpk= 0, nxpk= 0, iat= 610, 667, r1= 1.30, r2= 1.80, r3= 3.57, r4= 4.07, &end
#
# 42 TYR HE 79 ARG HA 4.73
&rst
ixpk= 0, nxpk= 0, iat= -1,1332, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,
igr1= 757, 762,
&end
#
# 79 ARG HA 79 ARG HG2 3.40
&rst
ixpk= 0, nxpk= 0, iat=1332,1337, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90, &end
#
# 35 LEU HA 48 VAL QG1 5.45
&rst
ixpk= 0, nxpk= 0, iat= 622, -1, r1= 1.30, r2= 1.80, r3= 6.55, r4= 7.05,
igr2= 836, 837, 838,
&end
#
# 56 SER H 57 ARG HA 4.34
&rst
ixpk= 0, nxpk= 0, iat= 959, 972, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84, &end
#
# 57 ARG HA 57 ARG HG2 3.46
&rst
ixpk= 0, nxpk= 0, iat= 972, 977, r1= 1.30, r2= 1.80, r3= 3.46, r4= 3.96, &end
#
# 27 SER HA 88 ARG QD 4.14
&rst
ixpk= 0, nxpk= 0, iat= 492, -1, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,
igr2=1465,1466,
&end
#
# 27 SER HA 28 LEU QD1 5.19
&rst
ixpk= 0, nxpk= 0, iat= 492, -1, r1= 1.30, r2= 1.80, r3= 6.23, r4= 6.73,
igr2= 510, 511, 512,
&end
#
# 48 VAL QG1 49 SER HA 4.27
&rst
ixpk= 0, nxpk= 0, iat= -1, 848, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63,
igr1= 836, 837, 838,
&end
#
# 28 LEU HA 30 THR H 4.57
&rst
ixpk= 0, nxpk= 0, iat= 503, 541, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07, &end
#
# 28 LEU HA 28 LEU HG 4.07
&rst
ixpk= 0, nxpk= 0, iat= 503, 508, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57, &end
#
# 64 PHE HA 64 PHE HD 4.42
&rst
ixpk= 0, nxpk= 0, iat=1092, -1, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,
igr2=1098,1106,
&end
#
# 89 ARG HA 90 ILE QG2 5.27
&rst
ixpk= 0, nxpk= 0, iat=1481, -1, r1= 1.30, r2= 1.80, r3= 6.33, r4= 6.83,
igr2=1509,1510,1511,
&end
#
# 83 MET HA 90 ILE QD1 5.06
&rst
ixpk= 0, nxpk= 0, iat=1387, -1, r1= 1.30, r2= 1.80, r3= 6.08, r4= 6.58,
igr2=1516,1517,1518,
&end
#
# 24 PHE HA 62 PHE HA 4.66
&rst
ixpk= 0, nxpk= 0, iat= 446,1062, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16, &end
#
# 81 ASN HA 82 GLY H 3.30
&rst
ixpk= 0, nxpk= 0, iat=1366,1378, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 80 ALA QB 81 ASN HA 5.20
&rst
ixpk= 0, nxpk= 0, iat= -1,1366, r1= 1.30, r2= 1.80, r3= 6.24, r4= 6.74,
igr1=1358,1359,1360,
&end
#
# 81 ASN HA 92 VAL QG1 3.74
&rst
ixpk= 0, nxpk= 0, iat=1366, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2=1552,1553,1554,
&end
#
# 98 LYS HA 98 LYS QG 3.65
&rst
ixpk= 0, nxpk= 0, iat=1640, -1, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,
igr2=1645,1646,
&end
#
# 84 GLU HA 85 LEU HB2 5.10
&rst
ixpk= 0, nxpk= 0, iat=1404,1421, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60, &end
#
# 84 GLU HA 87 GLY H 4.38
&rst
ixpk= 0, nxpk= 0, iat=1404,1448, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88, &end
#
# 84 GLU HA 90 ILE H 4.14
&rst
ixpk= 0, nxpk= 0, iat=1404,1503, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64, &end
#
# 84 GLU HA 90 ILE QG2 5.09
&rst
ixpk= 0, nxpk= 0, iat=1404, -1, r1= 1.30, r2= 1.80, r3= 6.11, r4= 6.61,
igr2=1509,1510,1511,
&end
#
# 58 ARG HA 59 SER HA 4.47
&rst
ixpk= 0, nxpk= 0, iat= 996,1020, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97, &end
#
# 58 ARG HA 58 ARG HB2 2.99
&rst
ixpk= 0, nxpk= 0, iat= 996, 998, r1= 1.30, r2= 1.80, r3= 2.99, r4= 3.49, &end
#
# 73 ALA HA 77 LYS H 4.79
&rst
ixpk= 0, nxpk= 0, iat=1238,1293, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29, &end
#
# 85 LEU HA 85 LEU QD2 3.70
&rst
ixpk= 0, nxpk= 0, iat=1419, -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
igr2=1430,1431,1432,
&end
#
# 67 PHE HD 73 ALA HA 4.30
&rst
ixpk= 0, nxpk= 0, iat= -1,1238, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
igr1=1155,1163,
&end
#
# 76 ALA HA 79 ARG HB2 4.82
&rst
ixpk= 0, nxpk= 0, iat=1285,1334, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32, &end
#
# 42 TYR HB2 76 ALA HA 4.51
&rst
ixpk= 0, nxpk= 0, iat= 751,1285, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01, &end
#
# 42 TYR HD 76 ALA HA 4.13
&rst
ixpk= 0, nxpk= 0, iat= -1,1285, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,
igr1= 755, 764,
&end
#
# 42 TYR HE 76 ALA HA 4.63
&rst
ixpk= 0, nxpk= 0, iat= -1,1285, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,
igr1= 757, 762,
&end
#
# 26 LEU HA 28 LEU QD2 4.55
&rst
ixpk= 0, nxpk= 0, iat= 473, -1, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96,
igr2= 514, 515, 516,
&end
#
# 26 LEU HA 26 LEU QD1 4.52
&rst
ixpk= 0, nxpk= 0, iat= 473, -1, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,
igr2= 480, 481, 482,
&end
#
# 26 LEU HA 88 ARG QD 4.94
&rst
ixpk= 0, nxpk= 0, iat= 473, -1, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,
igr2=1465,1466,
&end
#
# 45 ILE QG2 46 ALA HA 4.82
&rst
ixpk= 0, nxpk= 0, iat= -1, 810, r1= 1.30, r2= 1.80, r3= 5.79, r4= 6.29,
igr1= 795, 796, 797,
&end
#
# 13 ALA HA 14 ASN HB2 4.66
&rst
ixpk= 0, nxpk= 0, iat= 304, 316, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16, &end
#
# 21 LEU HA 21 LEU QD1 3.85
&rst
ixpk= 0, nxpk= 0, iat= 404, -1, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
igr2= 411, 412, 413,
&end
#
# 46 ALA HA 68 GLU HG2 4.34
&rst
ixpk= 0, nxpk= 0, iat= 810,1174, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84, &end
#
# 21 LEU HA 77 LYS QE 4.73
&rst
ixpk= 0, nxpk= 0, iat= 404, -1, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,
igr2=1306,1307,
&end
#
# 80 ALA HA 83 MET HG3 4.66
&rst
ixpk= 0, nxpk= 0, iat=1356,1393, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16, &end
#
# 80 ALA HA 83 MET HB3 4.11
&rst
ixpk= 0, nxpk= 0, iat=1356,1390, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61, &end
#
# 80 ALA HA 83 MET HB2 4.20
&rst
ixpk= 0, nxpk= 0, iat=1356,1389, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 69 ASN HA 70 VAL HA 4.61
&rst
ixpk= 0, nxpk= 0, iat=1184,1198, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11, &end
#
# 69 ASN HA 70 VAL QG1 4.19
&rst
ixpk= 0, nxpk= 0, iat=1184, -1, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,
igr2=1202,1203,1204,
&end
#
# 50 ILE HA 63 ALA HA 3.47
&rst
ixpk= 0, nxpk= 0, iat= 859,1082, r1= 1.30, r2= 1.80, r3= 3.47, r4= 3.97, &end
#
# 50 ILE HG13 63 ALA HA 4.33
&rst
ixpk= 0, nxpk= 0, iat= 868,1082, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83, &end
#
# 50 ILE QG2 63 ALA HA 4.67
&rst
ixpk= 0, nxpk= 0, iat= -1,1082, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 863, 864, 865,
&end
#
# 60 ARG HB2 61 GLY HA3 5.09
&rst
ixpk= 0, nxpk= 0, iat=1033,1056, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59, &end
#
# 28 LEU QB 61 GLY HA3 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1056, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 505, 506,
&end
#
# 28 LEU QD1 61 GLY HA3 4.34
&rst
ixpk= 0, nxpk= 0, iat= -1,1056, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71,
igr1= 510, 511, 512,
&end
#
# 60 ARG HB2 61 GLY HA2 4.78
&rst
ixpk= 0, nxpk= 0, iat=1033,1055, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28, &end
#
# 28 LEU QD1 61 GLY HA2 4.31
&rst
ixpk= 0, nxpk= 0, iat= -1,1055, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68,
igr1= 510, 511, 512,
&end
#
# 28 LEU QB 61 GLY HA2 4.44
&rst
ixpk= 0, nxpk= 0, iat= -1,1055, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48,
igr1= 505, 506,
&end
#
# 86 ASP H 87 GLY HA3 4.38
&rst
ixpk= 0, nxpk= 0, iat=1436,1451, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88, &end
#
# 93 ASP H 93 ASP HB3 4.21
&rst
ixpk= 0, nxpk= 0, iat=1562,1567, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71, &end
#
# 93 ASP HB3 94 PHE H 4.26
&rst
ixpk= 0, nxpk= 0, iat=1567,1574, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76, &end
#
# 22 GLY QA 64 PHE HB3 3.88
&rst
ixpk= 0, nxpk= 0, iat= -1,1095, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86,
igr1= 423, 424,
&end
#
# 85 LEU H 85 LEU HB3 4.14
&rst
ixpk= 0, nxpk= 0, iat=1417,1422, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64, &end
#
# 22 GLY QA 23 VAL QG1 5.05
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 423, 424,
igr2= 434, 435, 436,
&end
#
# 85 LEU HB2 90 ILE QG2 4.21
&rst
ixpk= 0, nxpk= 0, iat=1421, -1, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,
igr2=1509,1510,1511,
&end
#
# 46 ALA QB 47 ASP HB3 4.70
&rst
ixpk= 0, nxpk= 0, iat= -1, 823, r1= 1.30, r2= 1.80, r3= 5.64, r4= 6.14,
igr1= 812, 813, 814,
&end
#
# 47 ASP HB3 48 VAL H 4.09
&rst
ixpk= 0, nxpk= 0, iat= 823, 830, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59, &end
#
# 47 ASP HB3 66 TYR HD 4.51
&rst
ixpk= 0, nxpk= 0, iat= 823, -1, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,
igr2=1134,1143,
&end
#
# 47 ASP HB2 66 TYR HD 4.26
&rst
ixpk= 0, nxpk= 0, iat= 822, -1, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28,
igr2=1134,1143,
&end
#
# 60 ARG HA 60 ARG QD 4.43
&rst
ixpk= 0, nxpk= 0, iat=1031, -1, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47,
igr2=1039,1040,
&end
#
# 46 ALA QB 47 ASP HB2 4.86
&rst
ixpk= 0, nxpk= 0, iat= -1, 822, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
igr1= 812, 813, 814,
&end
#
# 53 ASP HB2 60 ARG QD 4.37
&rst
ixpk= 0, nxpk= 0, iat= 917, -1, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,
igr2=1039,1040,
&end
#
# 53 ASP H 60 ARG QD 4.83
&rst
ixpk= 0, nxpk= 0, iat= 913, -1, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,
igr2=1039,1040,
&end
#
# 42 TYR HD 79 ARG QD 4.58
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.77, r4= 6.27,
igr1= 755, 764,
igr2=1340,1341,
&end
#
# 42 TYR HE 79 ARG QD 3.76
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,
igr1= 757, 762,
igr2=1340,1341,
&end
#
# 79 ARG HA 79 ARG QD 3.33
&rst
ixpk= 0, nxpk= 0, iat=1332, -1, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24,
igr2=1340,1341,
&end
#
# 28 LEU QD2 88 ARG QD 4.44
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr1= 514, 515, 516,
igr2=1465,1466,
&end
#
# 57 ARG HA 57 ARG HD3 4.42
&rst
ixpk= 0, nxpk= 0, iat= 972, 981, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92, &end
#
# 57 ARG HD3 58 ARG HB3 3.34
&rst
ixpk= 0, nxpk= 0, iat= 981, 999, r1= 1.30, r2= 1.80, r3= 3.34, r4= 3.84, &end
#
# 57 ARG HD3 58 ARG HB2 2.70
&rst
ixpk= 0, nxpk= 0, iat= 981, 998, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20, &end
#
# 21 LEU HB3 93 ASP HA 4.39
&rst
ixpk= 0, nxpk= 0, iat= 407,1564, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89, &end
#
# 26 LEU HB3 26 LEU QD2 3.89
&rst
ixpk= 0, nxpk= 0, iat= 476, -1, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,
igr2= 484, 485, 486,
&end
#
# 21 LEU HB2 65 VAL QG2 5.13
&rst
ixpk= 0, nxpk= 0, iat= 406, -1, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66,
igr2=1120,1121,1122,
&end
#
# 21 LEU HB2 93 ASP HA 5.34
&rst
ixpk= 0, nxpk= 0, iat= 406,1564, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84, &end
#
# 79 ARG H 79 ARG QD 3.97
&rst
ixpk= 0, nxpk= 0, iat=1330, -1, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96,
igr2=1340,1341,
&end
#
# 75 GLU HG2 79 ARG QD 4.49
&rst
ixpk= 0, nxpk= 0, iat=1275, -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr2=1340,1341,
&end
#
# 64 PHE HB3 66 TYR HE 4.77
&rst
ixpk= 0, nxpk= 0, iat=1095, -1, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85,
igr2=1136,1141,
&end
#
# 21 LEU HB2 67 PHE HB2 5.13
&rst
ixpk= 0, nxpk= 0, iat= 406,1151, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63, &end
#
# 64 PHE HB3 65 VAL H 4.49
&rst
ixpk= 0, nxpk= 0, iat=1095,1110, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99, &end
#
# 49 SER HB3 64 PHE HB2 4.59
&rst
ixpk= 0, nxpk= 0, iat= 851,1094, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09, &end
#
# 35 LEU HB2 48 VAL QG1 4.01
&rst
ixpk= 0, nxpk= 0, iat= 624, -1, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32,
igr2= 836, 837, 838,
&end
#
# 35 LEU HB2 35 LEU QD2 4.16
&rst
ixpk= 0, nxpk= 0, iat= 624, -1, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
igr2= 633, 634, 635,
&end
#
# 89 ARG HA 89 ARG QD 3.93
&rst
ixpk= 0, nxpk= 0, iat=1481, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr2=1489,1490,
&end
#
# 33 ARG HA 33 ARG HD2 4.44
&rst
ixpk= 0, nxpk= 0, iat= 586, 594, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94, &end
#
# 53 ASP HB3 58 ARG H 4.12
&rst
ixpk= 0, nxpk= 0, iat= 918, 994, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62, &end
#
# 77 LYS QE 94 PHE H 4.06
&rst
ixpk= 0, nxpk= 0, iat= -1,1574, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06,
igr1=1306,1307,
&end
#
# 41 LYS QE 42 TYR HD 3.83
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
igr1= 738, 739,
igr2= 755, 764,
&end
#
# 77 LYS QE 93 ASP HA 3.02
&rst
ixpk= 0, nxpk= 0, iat= -1,1564, r1= 1.30, r2= 1.80, r3= 3.39, r4= 3.89,
igr1=1306,1307,
&end
#
# 77 LYS HG3 77 LYS QE 3.43
&rst
ixpk= 0, nxpk= 0, iat=1301, -1, r1= 1.30, r2= 1.80, r3= 3.85, r4= 4.35,
igr2=1306,1307,
&end
#
# 77 LYS HG2 77 LYS QE 3.62
&rst
ixpk= 0, nxpk= 0, iat=1300, -1, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56,
igr2=1306,1307,
&end
#
# 53 ASP H 53 ASP HB2 3.81
&rst
ixpk= 0, nxpk= 0, iat= 913, 917, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31, &end
#
# 35 LEU HB3 36 ARG H 4.28
&rst
ixpk= 0, nxpk= 0, iat= 625, 639, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78, &end
#
# 32 GLU HA 35 LEU HB3 4.42
&rst
ixpk= 0, nxpk= 0, iat= 571, 625, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92, &end
#
# 35 LEU HB3 48 VAL QG1 4.12
&rst
ixpk= 0, nxpk= 0, iat= 625, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr2= 836, 837, 838,
&end
#
# 98 LYS HB2 98 LYS QE 3.16
&rst
ixpk= 0, nxpk= 0, iat=1642, -1, r1= 1.30, r2= 1.80, r3= 3.55, r4= 4.05,
igr2=1651,1652,
&end
#
# 98 LYS QG 98 LYS QE 3.30
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66,
igr1=1645,1646,
igr2=1651,1652,
&end
#
# 62 PHE HB3 63 ALA QB 4.98
&rst
ixpk= 0, nxpk= 0, iat=1065, -1, r1= 1.30, r2= 1.80, r3= 5.98, r4= 6.48,
igr2=1084,1085,1086,
&end
#
# 69 ASN HB3 70 VAL QG1 5.50
&rst
ixpk= 0, nxpk= 0, iat=1187, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1202,1203,1204,
&end
#
# 69 ASN HB3 70 VAL H 4.48
&rst
ixpk= 0, nxpk= 0, iat=1187,1196, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98, &end
#
# 69 ASN HB3 73 ALA H 4.61
&rst
ixpk= 0, nxpk= 0, iat=1187,1236, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11, &end
#
# 52 TYR H 52 TYR HB2 4.07
&rst
ixpk= 0, nxpk= 0, iat= 892, 896, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57, &end
#
# 24 PHE HA 62 PHE HB2 4.44
&rst
ixpk= 0, nxpk= 0, iat= 446,1064, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94, &end
#
# 69 ASN HB2 72 ASP H 4.73
&rst
ixpk= 0, nxpk= 0, iat=1186,1224, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23, &end
#
# 52 TYR HB3 59 SER HA 3.91
&rst
ixpk= 0, nxpk= 0, iat= 897,1020, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41, &end
#
# 52 TYR HB2 59 SER HA 4.09
&rst
ixpk= 0, nxpk= 0, iat= 896,1020, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59, &end
#
# 72 ASP HB2 73 ALA H 4.54
&rst
ixpk= 0, nxpk= 0, iat=1228,1236, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04, &end
#
# 94 PHE H 94 PHE HB2 4.03
&rst
ixpk= 0, nxpk= 0, iat=1574,1578, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53, &end
#
# 67 PHE HB2 73 ALA QB 4.44
&rst
ixpk= 0, nxpk= 0, iat=1151, -1, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83,
igr2=1240,1241,1242,
&end
#
# 27 SER QB 86 ASP HB2 3.62
&rst
ixpk= 0, nxpk= 0, iat= -1,1440, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56,
igr1= 494, 495,
&end
#
# 72 ASP H 72 ASP HB2 4.10
&rst
ixpk= 0, nxpk= 0, iat=1224,1228, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60, &end
#
# 71 ASP HB3 72 ASP H 4.68
&rst
ixpk= 0, nxpk= 0, iat=1217,1224, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18, &end
#
# 85 LEU HG 86 ASP HB3 4.50
&rst
ixpk= 0, nxpk= 0, iat=1424,1441, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 27 SER HA 28 LEU QB 4.57
&rst
ixpk= 0, nxpk= 0, iat= 492, -1, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63,
igr2= 505, 506,
&end
#
# 67 PHE HB3 73 ALA QB 4.53
&rst
ixpk= 0, nxpk= 0, iat=1152, -1, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94,
igr2=1240,1241,1242,
&end
#
# 71 ASP H 71 ASP HB3 3.58
&rst
ixpk= 0, nxpk= 0, iat=1212,1217, r1= 1.30, r2= 1.80, r3= 3.58, r4= 4.08, &end
#
# 45 ILE HB 46 ALA HA 4.97
&rst
ixpk= 0, nxpk= 0, iat= 793, 810, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47, &end
#
# 45 ILE HB 45 ILE QD1 4.21
&rst
ixpk= 0, nxpk= 0, iat= 793, -1, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,
igr2= 802, 803, 804,
&end
#
# 47 ASP HB2 66 TYR HB3 4.19
&rst
ixpk= 0, nxpk= 0, iat= 822,1131, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69, &end
#
# 47 ASP HB2 66 TYR HB2 4.26
&rst
ixpk= 0, nxpk= 0, iat= 822,1130, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76, &end
#
# 90 ILE HB 90 ILE QD1 3.66
&rst
ixpk= 0, nxpk= 0, iat=1507, -1, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,
igr2=1516,1517,1518,
&end
#
# 46 ALA QB 66 TYR HB3 4.32
&rst
ixpk= 0, nxpk= 0, iat= -1,1131, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,
igr1= 812, 813, 814,
&end
#
# 11 ASN HB3 12 ARG H 4.48
&rst
ixpk= 0, nxpk= 0, iat= 269, 278, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98, &end
#
# 81 ASN HB2 92 VAL QG1 4.82
&rst
ixpk= 0, nxpk= 0, iat=1368, -1, r1= 1.30, r2= 1.80, r3= 5.79, r4= 6.29,
igr2=1552,1553,1554,
&end
#
# 13 ALA QB 14 ASN HB2 4.67
&rst
ixpk= 0, nxpk= 0, iat= -1, 316, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 306, 307, 308,
&end
#
# 42 TYR HB2 67 PHE HE 4.96
&rst
ixpk= 0, nxpk= 0, iat= 751, -1, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07,
igr2=1157,1161,
&end
#
# 42 TYR HB2 76 ALA QB 4.47
&rst
ixpk= 0, nxpk= 0, iat= 751, -1, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,
igr2=1287,1288,1289,
&end
#
# 50 ILE HB 51 VAL H 4.76
&rst
ixpk= 0, nxpk= 0, iat= 861, 876, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26, &end
#
# 50 ILE HB 52 TYR HE 4.11
&rst
ixpk= 0, nxpk= 0, iat= 861, -1, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,
igr2= 902, 907,
&end
#
# 31 THR HA 50 ILE HB 4.83
&rst
ixpk= 0, nxpk= 0, iat= 557, 861, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33, &end
#
# 32 GLU HG3 50 ILE HB 4.63
&rst
ixpk= 0, nxpk= 0, iat= 577, 861, r1= 1.30, r2= 1.80, r3= 4.63, r4= 5.13, &end
#
# 32 GLU HG2 50 ILE HG12 4.65
&rst
ixpk= 0, nxpk= 0, iat= 576, 867, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15, &end
#
# 32 GLU HG2 50 ILE H 4.45
&rst
ixpk= 0, nxpk= 0, iat= 576, 857, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95, &end
#
# 32 GLU HA 32 GLU HG2 4.09
&rst
ixpk= 0, nxpk= 0, iat= 571, 576, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59, &end
#
# 32 GLU HG2 50 ILE HB 4.94
&rst
ixpk= 0, nxpk= 0, iat= 576, 861, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44, &end
#
# 32 GLU HG2 48 VAL QG1 4.36
&rst
ixpk= 0, nxpk= 0, iat= 576, -1, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,
igr2= 836, 837, 838,
&end
#
# 32 GLU HA 32 GLU HG3 3.97
&rst
ixpk= 0, nxpk= 0, iat= 571, 577, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47, &end
#
# 32 GLU HG3 48 VAL QG1 4.45
&rst
ixpk= 0, nxpk= 0, iat= 577, -1, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
igr2= 836, 837, 838,
&end
#
# 32 GLU HG2 50 ILE HG13 4.48
&rst
ixpk= 0, nxpk= 0, iat= 576, 868, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98, &end
#
# 32 GLU HG3 50 ILE HG12 4.93
&rst
ixpk= 0, nxpk= 0, iat= 577, 867, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43, &end
#
# 84 GLU HG3 87 GLY HA3 4.97
&rst
ixpk= 0, nxpk= 0, iat=1410,1451, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47, &end
#
# 84 GLU HG3 85 LEU H 4.29
&rst
ixpk= 0, nxpk= 0, iat=1410,1417, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79, &end
#
# 84 GLU HG3 87 GLY H 5.02
&rst
ixpk= 0, nxpk= 0, iat=1410,1448, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52, &end
#
# 84 GLU HA 84 GLU HG3 3.97
&rst
ixpk= 0, nxpk= 0, iat=1404,1410, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47, &end
#
# 84 GLU HG3 89 ARG H 4.62
&rst
ixpk= 0, nxpk= 0, iat=1410,1479, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12, &end
#
# 84 GLU HG2 88 ARG H 4.68
&rst
ixpk= 0, nxpk= 0, iat=1409,1455, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18, &end
#
# 84 GLU HA 84 GLU HG2 4.05
&rst
ixpk= 0, nxpk= 0, iat=1404,1409, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55, &end
#
# 67 PHE HA 68 GLU HG2 4.22
&rst
ixpk= 0, nxpk= 0, iat=1149,1174, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72, &end
#
# 37 GLU HG2 38 VAL H 4.75
&rst
ixpk= 0, nxpk= 0, iat= 670, 678, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25, &end
#
# 78 GLU HA 78 GLU HG3 3.72
&rst
ixpk= 0, nxpk= 0, iat=1317,1323, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22, &end
#
# 77 LYS QD 78 GLU HG3 4.59
&rst
ixpk= 0, nxpk= 0, iat= -1,1323, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,
igr1=1303,1304,
&end
#
# 34 ASP HA 37 GLU HG3 4.68
&rst
ixpk= 0, nxpk= 0, iat= 610, 671, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18, &end
#
# 37 GLU HA 37 GLU HG3 3.69
&rst
ixpk= 0, nxpk= 0, iat= 665, 671, r1= 1.30, r2= 1.80, r3= 3.69, r4= 4.19, &end
#
# 37 GLU HG3 38 VAL H 4.14
&rst
ixpk= 0, nxpk= 0, iat= 671, 678, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64, &end
#
# 37 GLU HG3 38 VAL QG1 5.13
&rst
ixpk= 0, nxpk= 0, iat= 671, -1, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66,
igr2= 684, 685, 686,
&end
#
# 75 GLU HG2 76 ALA H 4.59
&rst
ixpk= 0, nxpk= 0, iat=1275,1283, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09, &end
#
# 37 GLU H 37 GLU HG2 3.81
&rst
ixpk= 0, nxpk= 0, iat= 663, 670, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31, &end
#
# 37 GLU HA 37 GLU HG2 3.77
&rst
ixpk= 0, nxpk= 0, iat= 665, 670, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27, &end
#
# 78 GLU H 78 GLU HG2 3.83
&rst
ixpk= 0, nxpk= 0, iat=1315,1322, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33, &end
#
# 75 GLU HG2 79 ARG HG2 4.99
&rst
ixpk= 0, nxpk= 0, iat=1275,1337, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49, &end
#
# 48 VAL HB 65 VAL HA 4.63
&rst
ixpk= 0, nxpk= 0, iat= 834,1112, r1= 1.30, r2= 1.80, r3= 4.63, r4= 5.13, &end
#
# 48 VAL H 48 VAL HB 3.82
&rst
ixpk= 0, nxpk= 0, iat= 830, 834, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32, &end
#
# 81 ASN HA 92 VAL HB 4.22
&rst
ixpk= 0, nxpk= 0, iat=1366,1550, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72, &end
#
# 81 ASN H 92 VAL HB 4.54
&rst
ixpk= 0, nxpk= 0, iat=1364,1550, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04, &end
#
# 81 ASN HB2 92 VAL HB 4.28
&rst
ixpk= 0, nxpk= 0, iat=1368,1550, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78, &end
#
# 92 VAL HB 93 ASP H 4.88
&rst
ixpk= 0, nxpk= 0, iat=1550,1562, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38, &end
#
# 92 VAL H 92 VAL HB 4.07
&rst
ixpk= 0, nxpk= 0, iat=1546,1550, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57, &end
#
# 55 GLN HA 55 GLN HG3 3.69
&rst
ixpk= 0, nxpk= 0, iat= 944, 950, r1= 1.30, r2= 1.80, r3= 3.69, r4= 4.19, &end
#
# 55 GLN H 55 GLN HG2 4.21
&rst
ixpk= 0, nxpk= 0, iat= 942, 949, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71, &end
#
# 65 VAL HB 67 PHE HE 4.83
&rst
ixpk= 0, nxpk= 0, iat=1114, -1, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,
igr2=1157,1161,
&end
#
# 21 LEU QD2 65 VAL HB 5.34
&rst
ixpk= 0, nxpk= 0, iat= -1,1114, r1= 1.30, r2= 1.80, r3= 6.41, r4= 6.91,
igr1= 415, 416, 417,
&end
#
# 39 PHE HE 65 VAL HB 4.93
&rst
ixpk= 0, nxpk= 0, iat= -1,1114, r1= 1.30, r2= 1.80, r3= 5.53, r4= 6.03,
igr1= 704, 708,
&end
#
# 54 GLN HA 54 GLN HG3 3.84
&rst
ixpk= 0, nxpk= 0, iat= 927, 933, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34, &end
#
# 54 GLN H 54 GLN HG2 4.45
&rst
ixpk= 0, nxpk= 0, iat= 925, 932, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95, &end
#
# 21 LEU HB2 65 VAL HB 4.39
&rst
ixpk= 0, nxpk= 0, iat= 406,1114, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89, &end
#
# 54 GLN H 54 GLN HG3 4.24
&rst
ixpk= 0, nxpk= 0, iat= 925, 933, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74, &end
#
# 83 MET HB3 84 GLU H 3.82
&rst
ixpk= 0, nxpk= 0, iat=1390,1402, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32, &end
#
# 83 MET H 83 MET HB3 3.71
&rst
ixpk= 0, nxpk= 0, iat=1385,1390, r1= 1.30, r2= 1.80, r3= 3.71, r4= 4.21, &end
#
# 83 MET HB3 90 ILE QD1 5.03
&rst
ixpk= 0, nxpk= 0, iat=1390, -1, r1= 1.30, r2= 1.80, r3= 6.04, r4= 6.54,
igr2=1516,1517,1518,
&end
#
# 80 ALA QB 83 MET HB3 5.15
&rst
ixpk= 0, nxpk= 0, iat= -1,1390, r1= 1.30, r2= 1.80, r3= 6.18, r4= 6.68,
igr1=1358,1359,1360,
&end
#
# 83 MET HB2 90 ILE QD1 4.78
&rst
ixpk= 0, nxpk= 0, iat=1389, -1, r1= 1.30, r2= 1.80, r3= 5.74, r4= 6.24,
igr2=1516,1517,1518,
&end
#
# 70 VAL QG2 74 LYS HB3 2.98
&rst
ixpk= 0, nxpk= 0, iat= -1,1251, r1= 1.30, r2= 1.80, r3= 3.58, r4= 4.08,
igr1=1206,1207,1208,
&end
#
# 74 LYS HB3 75 GLU H 4.12
&rst
ixpk= 0, nxpk= 0, iat=1251,1268, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62, &end
#
# 70 VAL HA 74 LYS HB3 4.53
&rst
ixpk= 0, nxpk= 0, iat=1198,1251, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03, &end
#
# 74 LYS H 74 LYS HB2 3.88
&rst
ixpk= 0, nxpk= 0, iat=1246,1250, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38, &end
#
# 74 LYS HB2 75 GLU H 3.98
&rst
ixpk= 0, nxpk= 0, iat=1250,1268, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48, &end
#
# 17 PRO HB2 18 ASN H 3.87
&rst
ixpk= 0, nxpk= 0, iat= 359, 366, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37, &end
#
# 58 ARG HB3 59 SER H 4.21
&rst
ixpk= 0, nxpk= 0, iat= 999,1018, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71, &end
#
# 58 ARG HB2 59 SER H 4.48
&rst
ixpk= 0, nxpk= 0, iat= 998,1018, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98, &end
#
# 58 ARG H 58 ARG HB2 3.68
&rst
ixpk= 0, nxpk= 0, iat= 994, 998, r1= 1.30, r2= 1.80, r3= 3.68, r4= 4.18, &end
#
# 69 ASN HA 70 VAL HB 4.60
&rst
ixpk= 0, nxpk= 0, iat=1184,1200, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, &end
#
# 77 LYS H 77 LYS HB2 3.97
&rst
ixpk= 0, nxpk= 0, iat=1293,1297, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47, &end
#
# 41 LYS HB3 42 TYR H 4.41
&rst
ixpk= 0, nxpk= 0, iat= 730, 747, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91, &end
#
# 41 LYS H 41 LYS HB3 3.51
&rst
ixpk= 0, nxpk= 0, iat= 725, 730, r1= 1.30, r2= 1.80, r3= 3.51, r4= 4.01, &end
#
# 41 LYS H 41 LYS HB2 3.58
&rst
ixpk= 0, nxpk= 0, iat= 725, 729, r1= 1.30, r2= 1.80, r3= 3.58, r4= 4.08, &end
#
# 80 ALA QB 83 MET HG3 5.07
&rst
ixpk= 0, nxpk= 0, iat= -1,1393, r1= 1.30, r2= 1.80, r3= 6.09, r4= 6.59,
igr1=1358,1359,1360,
&end
#
# 83 MET HG3 90 ILE QD1 4.31
&rst
ixpk= 0, nxpk= 0, iat=1393, -1, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68,
igr2=1516,1517,1518,
&end
#
# 83 MET H 83 MET HG2 4.45
&rst
ixpk= 0, nxpk= 0, iat=1385,1392, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95, &end
#
# 79 ARG H 79 ARG HB3 4.01
&rst
ixpk= 0, nxpk= 0, iat=1330,1335, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51, &end
#
# 41 LYS HB3 41 LYS QE 4.93
&rst
ixpk= 0, nxpk= 0, iat= 730, -1, r1= 1.30, r2= 1.80, r3= 5.53, r4= 6.03,
igr2= 738, 739,
&end
#
# 41 LYS HB2 41 LYS QE 4.99
&rst
ixpk= 0, nxpk= 0, iat= 729, -1, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,
igr2= 738, 739,
&end
#
# 42 TYR HE 79 ARG HB3 4.14
&rst
ixpk= 0, nxpk= 0, iat= -1,1335, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,
igr1= 757, 762,
&end
#
# 79 ARG HB3 79 ARG QD 3.89
&rst
ixpk= 0, nxpk= 0, iat=1335, -1, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87,
igr2=1340,1341,
&end
#
# 42 TYR HE 79 ARG HB2 4.18
&rst
ixpk= 0, nxpk= 0, iat= -1,1334, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19,
igr1= 757, 762,
&end
#
# 11 ASN HA 12 ARG HB3 4.01
&rst
ixpk= 0, nxpk= 0, iat= 266, 283, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51, &end
#
# 36 ARG QB 45 ILE QG2 5.23
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.05, r4= 7.55,
igr1= 643, 644,
igr2= 795, 796, 797,
&end
#
# 36 ARG QB 48 VAL QG2 4.06
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
igr1= 643, 644,
igr2= 840, 841, 842,
&end
#
# 33 ARG HB3 33 ARG HD3 3.86
&rst
ixpk= 0, nxpk= 0, iat= 589, 595, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36, &end
#
# 33 ARG HB2 33 ARG QG 2.77
&rst
ixpk= 0, nxpk= 0, iat= 588, -1, r1= 1.30, r2= 1.80, r3= 3.11, r4= 3.61,
igr2= 591, 592,
&end
#
# 20 CYS HB2 66 TYR HD 4.68
&rst
ixpk= 0, nxpk= 0, iat= 395, -1, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75,
igr2=1134,1143,
&end
#
# 75 GLU QB 76 ALA QB 4.72
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1=1272,1273,
igr2=1287,1288,1289,
&end
#
# 49 SER HA 50 ILE HG13 4.94
&rst
ixpk= 0, nxpk= 0, iat= 848, 868, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44, &end
#
# 50 ILE HA 50 ILE HG13 4.14
&rst
ixpk= 0, nxpk= 0, iat= 859, 868, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64, &end
#
# 32 GLU HG3 50 ILE HG13 4.39
&rst
ixpk= 0, nxpk= 0, iat= 577, 868, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89, &end
#
# 77 LYS QD 93 ASP HA 3.67
&rst
ixpk= 0, nxpk= 0, iat= -1,1564, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62,
igr1=1303,1304,
&end
#
# 77 LYS QD 78 GLU HG2 4.63
&rst
ixpk= 0, nxpk= 0, iat= -1,1322, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,
igr1=1303,1304,
&end
#
# 20 CYS HB3 95 SER QB 4.14
&rst
ixpk= 0, nxpk= 0, iat= 396, -1, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,
igr2=1598,1599,
&end
#
# 20 CYS HB2 21 LEU H 4.79
&rst
ixpk= 0, nxpk= 0, iat= 395, 402, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29, &end
#
# 20 CYS HB2 66 TYR HE 4.86
&rst
ixpk= 0, nxpk= 0, iat= 395, -1, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96,
igr2=1136,1141,
&end
#
# 20 CYS HB2 95 SER QB 4.53
&rst
ixpk= 0, nxpk= 0, iat= 395, -1, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,
igr2=1598,1599,
&end
#
# 37 GLU HB2 38 VAL QG2 5.41
&rst
ixpk= 0, nxpk= 0, iat= 667, -1, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,
igr2= 688, 689, 690,
&end
#
# 75 GLU QB 76 ALA H 3.88
&rst
ixpk= 0, nxpk= 0, iat= -1,1283, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86,
igr1=1272,1273,
&end
#
# 31 THR HA 50 ILE HG12 4.77
&rst
ixpk= 0, nxpk= 0, iat= 557, 867, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27, &end
#
# 37 GLU H 37 GLU HB3 3.70
&rst
ixpk= 0, nxpk= 0, iat= 663, 668, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20, &end
#
# 37 GLU HB3 38 VAL H 3.91
&rst
ixpk= 0, nxpk= 0, iat= 668, 678, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41, &end
#
# 37 GLU HB3 37 GLU HG3 2.79
&rst
ixpk= 0, nxpk= 0, iat= 668, 671, r1= 1.30, r2= 1.80, r3= 2.79, r4= 3.29, &end
#
# 37 GLU HB3 38 VAL QG1 4.85
&rst
ixpk= 0, nxpk= 0, iat= 668, -1, r1= 1.30, r2= 1.80, r3= 5.82, r4= 6.32,
igr2= 684, 685, 686,
&end
#
# 55 GLN H 55 GLN HB3 3.46
&rst
ixpk= 0, nxpk= 0, iat= 942, 947, r1= 1.30, r2= 1.80, r3= 3.46, r4= 3.96, &end
#
# 32 GLU H 32 GLU HB2 3.90
&rst
ixpk= 0, nxpk= 0, iat= 569, 573, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40, &end
#
# 32 GLU HB2 48 VAL QG1 4.26
&rst
ixpk= 0, nxpk= 0, iat= 573, -1, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
igr2= 836, 837, 838,
&end
#
# 54 GLN HB2 55 GLN H 4.83
&rst
ixpk= 0, nxpk= 0, iat= 929, 942, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33, &end
#
# 53 ASP HB2 60 ARG QG 4.28
&rst
ixpk= 0, nxpk= 0, iat= 917, -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr2=1036,1037,
&end
#
# 53 ASP HB3 60 ARG QG 3.66
&rst
ixpk= 0, nxpk= 0, iat= 918, -1, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,
igr2=1036,1037,
&end
#
# 19 CYS H 19 CYS HB3 4.20
&rst
ixpk= 0, nxpk= 0, iat= 380, 385, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 19 CYS HB3 70 VAL QG1 4.70
&rst
ixpk= 0, nxpk= 0, iat= 385, -1, r1= 1.30, r2= 1.80, r3= 5.64, r4= 6.14,
igr2=1202,1203,1204,
&end
#
# 19 CYS HB2 70 VAL QG1 4.82
&rst
ixpk= 0, nxpk= 0, iat= 384, -1, r1= 1.30, r2= 1.80, r3= 5.79, r4= 6.29,
igr2=1202,1203,1204,
&end
#
# 60 ARG HA 60 ARG QG 3.47
&rst
ixpk= 0, nxpk= 0, iat=1031, -1, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39,
igr2=1036,1037,
&end
#
# 79 ARG HA 79 ARG HG3 3.88
&rst
ixpk= 0, nxpk= 0, iat=1332,1338, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38, &end
#
# 79 ARG H 79 ARG HG2 3.81
&rst
ixpk= 0, nxpk= 0, iat=1330,1337, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31, &end
#
# 57 ARG HB3 57 ARG HD3 2.89
&rst
ixpk= 0, nxpk= 0, iat= 975, 981, r1= 1.30, r2= 1.80, r3= 2.89, r4= 3.39, &end
#
# 40 SER HB2 45 ILE HG13 4.06
&rst
ixpk= 0, nxpk= 0, iat= 718, 800, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56, &end
#
# 42 TYR HE 79 ARG HG2 4.88
&rst
ixpk= 0, nxpk= 0, iat= -1,1337, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98,
igr1= 757, 762,
&end
#
# 21 LEU HG 93 ASP HA 3.35
&rst
ixpk= 0, nxpk= 0, iat= 409,1564, r1= 1.30, r2= 1.80, r3= 3.35, r4= 3.85, &end
#
# 33 ARG H 33 ARG QG 4.28
&rst
ixpk= 0, nxpk= 0, iat= 584, -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr2= 591, 592,
&end
#
# 57 ARG HB2 57 ARG HD2 3.28
&rst
ixpk= 0, nxpk= 0, iat= 974, 980, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78, &end
#
# 39 PHE HB2 45 ILE HG13 5.00
&rst
ixpk= 0, nxpk= 0, iat= 698, 800, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 28 LEU H 28 LEU HG 4.01
&rst
ixpk= 0, nxpk= 0, iat= 501, 508, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51, &end
#
# 39 PHE HB3 45 ILE HG13 4.88
&rst
ixpk= 0, nxpk= 0, iat= 699, 800, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38, &end
#
# 21 LEU QD2 77 LYS H 4.25
&rst
ixpk= 0, nxpk= 0, iat= -1,1293, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
igr1= 415, 416, 417,
&end
#
# 21 LEU QD2 67 PHE HD 4.85
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.54, r4= 7.04,
igr1= 415, 416, 417,
igr2=1155,1163,
&end
#
# 21 LEU QD2 67 PHE HE 4.57
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66,
igr1= 415, 416, 417,
igr2=1157,1161,
&end
#
# 21 LEU HA 21 LEU QD2 5.26
&rst
ixpk= 0, nxpk= 0, iat= 404, -1, r1= 1.30, r2= 1.80, r3= 6.32, r4= 6.82,
igr2= 415, 416, 417,
&end
#
# 21 LEU QD2 77 LYS HA 4.48
&rst
ixpk= 0, nxpk= 0, iat= -1,1295, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88,
igr1= 415, 416, 417,
&end
#
# 21 LEU HB2 21 LEU QD2 3.86
&rst
ixpk= 0, nxpk= 0, iat= 406, -1, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,
igr2= 415, 416, 417,
&end
#
# 48 VAL QG1 63 ALA QB 4.12
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr1= 836, 837, 838,
igr2=1084,1085,1086,
&end
#
# 32 GLU HA 35 LEU HG 4.86
&rst
ixpk= 0, nxpk= 0, iat= 571, 627, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36, &end
#
# 96 ILE HG13 97 THR QG2 5.02
&rst
ixpk= 0, nxpk= 0, iat=1616, -1, r1= 1.30, r2= 1.80, r3= 6.03, r4= 6.53,
igr2=1630,1631,1632,
&end
#
# 21 LEU QD2 65 VAL H 4.88
&rst
ixpk= 0, nxpk= 0, iat= -1,1110, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36,
igr1= 415, 416, 417,
&end
#
# 21 LEU QD2 39 PHE HE 5.30
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
igr1= 415, 416, 417,
igr2= 704, 708,
&end
#
# 51 VAL H 63 ALA QB 4.37
&rst
ixpk= 0, nxpk= 0, iat= 876, -1, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75,
igr2=1084,1085,1086,
&end
#
# 62 PHE HA 63 ALA QB 4.68
&rst
ixpk= 0, nxpk= 0, iat=1062, -1, r1= 1.30, r2= 1.80, r3= 5.62, r4= 6.12,
igr2=1084,1085,1086,
&end
#
# 50 ILE HG13 63 ALA QB 3.66
&rst
ixpk= 0, nxpk= 0, iat= 868, -1, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,
igr2=1084,1085,1086,
&end
#
# 32 GLU HB2 35 LEU QD1 5.04
&rst
ixpk= 0, nxpk= 0, iat= 573, -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
igr2= 629, 630, 631,
&end
#
# 85 LEU H 85 LEU QD1 4.80
&rst
ixpk= 0, nxpk= 0, iat=1417, -1, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26,
igr2=1426,1427,1428,
&end
#
# 85 LEU HA 85 LEU QD1 4.38
&rst
ixpk= 0, nxpk= 0, iat=1419, -1, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76,
igr2=1426,1427,1428,
&end
#
# 35 LEU HA 85 LEU QD1 4.45
&rst
ixpk= 0, nxpk= 0, iat= 622, -1, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
igr2=1426,1427,1428,
&end
#
# 83 MET QE 85 LEU QD1 5.40
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.79, r4= 8.29,
igr1=1396,1397,1398,
igr2=1426,1427,1428,
&end
#
# 85 LEU HB3 85 LEU QD1 3.61
&rst
ixpk= 0, nxpk= 0, iat=1422, -1, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84,
igr2=1426,1427,1428,
&end
#
# 38 VAL QG2 85 LEU QD1 3.52
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,
igr1= 688, 689, 690,
igr2=1426,1427,1428,
&end
#
# 31 THR HA 35 LEU QD1 4.79
&rst
ixpk= 0, nxpk= 0, iat= 557, -1, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25,
igr2= 629, 630, 631,
&end
#
# 35 LEU HA 35 LEU QD1 4.66
&rst
ixpk= 0, nxpk= 0, iat= 622, -1, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,
igr2= 629, 630, 631,
&end
#
# 32 GLU HA 35 LEU QD1 4.81
&rst
ixpk= 0, nxpk= 0, iat= 571, -1, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28,
igr2= 629, 630, 631,
&end
#
# 35 LEU HB3 35 LEU QD1 3.70
&rst
ixpk= 0, nxpk= 0, iat= 625, -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
igr2= 629, 630, 631,
&end
#
# 30 THR QG2 35 LEU QD1 4.04
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.83, r4= 6.33,
igr1= 547, 548, 549,
igr2= 629, 630, 631,
&end
#
# 35 LEU QD1 48 VAL QG1 3.98
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.74, r4= 6.24,
igr1= 629, 630, 631,
igr2= 836, 837, 838,
&end
#
# 74 LYS HG3 75 GLU H 4.23
&rst
ixpk= 0, nxpk= 0, iat=1254,1268, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73, &end
#
# 72 ASP HA 74 LYS HG3 4.82
&rst
ixpk= 0, nxpk= 0, iat=1226,1254, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32, &end
#
# 74 LYS HG2 75 GLU H 3.91
&rst
ixpk= 0, nxpk= 0, iat=1253,1268, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41, &end
#
# 83 MET HG2 90 ILE HG13 5.02
&rst
ixpk= 0, nxpk= 0, iat=1392,1514, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52, &end
#
# 90 ILE H 90 ILE HG12 4.80
&rst
ixpk= 0, nxpk= 0, iat=1503,1513, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, &end
#
# 82 GLY H 90 ILE HG12 5.01
&rst
ixpk= 0, nxpk= 0, iat=1378,1513, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51, &end
#
# 97 THR H 98 LYS QG 4.72
&rst
ixpk= 0, nxpk= 0, iat=1624, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr2=1645,1646,
&end
#
# 28 LEU HA 28 LEU QD2 4.02
&rst
ixpk= 0, nxpk= 0, iat= 503, -1, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
igr2= 514, 515, 516,
&end
#
# 28 LEU QB 28 LEU QD2 3.07
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64,
igr1= 505, 506,
igr2= 514, 515, 516,
&end
#
# 27 SER H 28 LEU QD2 4.65
&rst
ixpk= 0, nxpk= 0, iat= 490, -1, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08,
igr2= 514, 515, 516,
&end
#
# 85 LEU QD2 86 ASP HA 4.57
&rst
ixpk= 0, nxpk= 0, iat= -1,1438, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99,
igr1=1430,1431,1432,
&end
#
# 85 LEU QD2 86 ASP H 3.90
&rst
ixpk= 0, nxpk= 0, iat= -1,1436, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,
igr1=1430,1431,1432,
&end
#
# 85 LEU QD2 88 ARG H 5.35
&rst
ixpk= 0, nxpk= 0, iat= -1,1455, r1= 1.30, r2= 1.80, r3= 6.43, r4= 6.93,
igr1=1430,1431,1432,
&end
#
# 77 LYS HG3 78 GLU HA 4.32
&rst
ixpk= 0, nxpk= 0, iat=1301,1317, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82, &end
#
# 21 LEU QD1 94 PHE H 4.35
&rst
ixpk= 0, nxpk= 0, iat= -1,1574, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
igr1= 411, 412, 413,
&end
#
# 21 LEU QD1 67 PHE HD 3.67
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1= 411, 412, 413,
igr2=1155,1163,
&end
#
# 21 LEU QD1 77 LYS HA 4.68
&rst
ixpk= 0, nxpk= 0, iat= -1,1295, r1= 1.30, r2= 1.80, r3= 5.62, r4= 6.12,
igr1= 411, 412, 413,
&end
#
# 77 LYS HG2 93 ASP HA 4.92
&rst
ixpk= 0, nxpk= 0, iat=1300,1564, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42, &end
#
# 41 LYS HA 41 LYS HG3 3.98
&rst
ixpk= 0, nxpk= 0, iat= 727, 733, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48, &end
#
# 41 LYS H 41 LYS HG2 4.14
&rst
ixpk= 0, nxpk= 0, iat= 725, 732, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64, &end
#
# 97 THR H 97 THR QG2 4.23
&rst
ixpk= 0, nxpk= 0, iat=1624, -1, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,
igr2=1630,1631,1632,
&end
#
# 96 ILE QD1 97 THR QG2 4.78
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.89, r4= 7.39,
igr1=1618,1619,1620,
igr2=1630,1631,1632,
&end
#
# 26 LEU HA 26 LEU QD2 3.36
&rst
ixpk= 0, nxpk= 0, iat= 473, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr2= 484, 485, 486,
&end
#
# 30 THR QG2 34 ASP H 4.53
&rst
ixpk= 0, nxpk= 0, iat= -1, 608, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94,
igr1= 547, 548, 549,
&end
#
# 23 VAL QG1 63 ALA H 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1080, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1= 434, 435, 436,
&end
#
# 23 VAL QG1 90 ILE HA 4.74
&rst
ixpk= 0, nxpk= 0, iat= -1,1505, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
igr1= 434, 435, 436,
&end
#
# 23 VAL QG1 92 VAL QG1 3.71
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85,
igr1= 434, 435, 436,
igr2=1552,1553,1554,
&end
#
# 35 LEU H 35 LEU QD2 3.85
&rst
ixpk= 0, nxpk= 0, iat= 620, -1, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
igr2= 633, 634, 635,
&end
#
# 35 LEU QD2 39 PHE HE 3.84
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68,
igr1= 633, 634, 635,
igr2= 704, 708,
&end
#
# 35 LEU HA 35 LEU QD2 3.29
&rst
ixpk= 0, nxpk= 0, iat= 622, -1, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45,
igr2= 633, 634, 635,
&end
#
# 35 LEU HB3 35 LEU QD2 3.89
&rst
ixpk= 0, nxpk= 0, iat= 625, -1, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,
igr2= 633, 634, 635,
&end
#
# 30 THR QG2 31 THR H 3.70
&rst
ixpk= 0, nxpk= 0, iat= -1, 555, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
igr1= 547, 548, 549,
&end
#
# 30 THR QG2 35 LEU H 4.28
&rst
ixpk= 0, nxpk= 0, iat= -1, 620, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
igr1= 547, 548, 549,
&end
#
# 30 THR HA 30 THR QG2 3.63
&rst
ixpk= 0, nxpk= 0, iat= 543, -1, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86,
igr2= 547, 548, 549,
&end
#
# 30 THR QG2 34 ASP HB3 3.69
&rst
ixpk= 0, nxpk= 0, iat= -1, 613, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93,
igr1= 547, 548, 549,
&end
#
# 30 THR QG2 34 ASP HB2 3.85
&rst
ixpk= 0, nxpk= 0, iat= -1, 612, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
igr1= 547, 548, 549,
&end
#
# 30 THR QG2 35 LEU HG 4.13
&rst
ixpk= 0, nxpk= 0, iat= -1, 627, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,
igr1= 547, 548, 549,
&end
#
# 30 THR QG2 35 LEU QD2 3.59
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68,
igr1= 547, 548, 549,
igr2= 633, 634, 635,
&end
#
# 23 VAL QG1 39 PHE HE 3.89
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,
igr1= 434, 435, 436,
igr2= 704, 708,
&end
#
# 23 VAL QG1 90 ILE HB 4.34
&rst
ixpk= 0, nxpk= 0, iat= -1,1507, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71,
igr1= 434, 435, 436,
&end
#
# 30 THR QG2 35 LEU HB3 4.53
&rst
ixpk= 0, nxpk= 0, iat= -1, 625, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94,
igr1= 547, 548, 549,
&end
#
# 38 VAL QG2 83 MET HG3 5.33
&rst
ixpk= 0, nxpk= 0, iat= -1,1393, r1= 1.30, r2= 1.80, r3= 6.40, r4= 6.90,
igr1= 688, 689, 690,
&end
#
# 51 VAL QG1 62 PHE H 4.93
&rst
ixpk= 0, nxpk= 0, iat= -1,1060, r1= 1.30, r2= 1.80, r3= 5.92, r4= 6.42,
igr1= 882, 883, 884,
&end
#
# 51 VAL QG1 52 TYR HA 3.66
&rst
ixpk= 0, nxpk= 0, iat= -1, 894, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,
igr1= 882, 883, 884,
&end
#
# 51 VAL QG1 62 PHE HB3 4.46
&rst
ixpk= 0, nxpk= 0, iat= -1,1065, r1= 1.30, r2= 1.80, r3= 5.36, r4= 5.86,
igr1= 882, 883, 884,
&end
#
# 51 VAL QG1 60 ARG HB3 4.89
&rst
ixpk= 0, nxpk= 0, iat= -1,1034, r1= 1.30, r2= 1.80, r3= 5.87, r4= 6.37,
igr1= 882, 883, 884,
&end
#
# 38 VAL QG2 39 PHE H 4.13
&rst
ixpk= 0, nxpk= 0, iat= -1, 694, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,
igr1= 688, 689, 690,
&end
#
# 38 VAL QG2 39 PHE HE 4.77
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.43, r4= 6.93,
igr1= 688, 689, 690,
igr2= 704, 708,
&end
#
# 38 VAL QG2 39 PHE HA 4.83
&rst
ixpk= 0, nxpk= 0, iat= -1, 696, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
igr1= 688, 689, 690,
&end
#
# 38 VAL HA 38 VAL QG2 3.19
&rst
ixpk= 0, nxpk= 0, iat= 680, -1, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33,
igr2= 688, 689, 690,
&end
#
# 35 LEU QD2 38 VAL QG2 3.99
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25,
igr1= 633, 634, 635,
igr2= 688, 689, 690,
&end
#
# 48 VAL QG2 66 TYR H 4.73
&rst
ixpk= 0, nxpk= 0, iat= -1,1126, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18,
igr1= 840, 841, 842,
&end
#
# 48 VAL QG2 65 VAL HA 4.28
&rst
ixpk= 0, nxpk= 0, iat= -1,1112, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
igr1= 840, 841, 842,
&end
#
# 48 VAL H 48 VAL QG2 3.85
&rst
ixpk= 0, nxpk= 0, iat= 830, -1, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
igr2= 840, 841, 842,
&end
#
# 35 LEU H 48 VAL QG1 4.26
&rst
ixpk= 0, nxpk= 0, iat= 620, -1, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
igr2= 836, 837, 838,
&end
#
# 45 ILE QG2 48 VAL QG2 3.64
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75,
igr1= 795, 796, 797,
igr2= 840, 841, 842,
&end
#
# 48 VAL QG1 65 VAL QG1 3.39
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39,
igr1= 836, 837, 838,
igr2=1116,1117,1118,
&end
#
# 51 VAL H 51 VAL QG1 4.34
&rst
ixpk= 0, nxpk= 0, iat= 876, -1, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71,
igr2= 882, 883, 884,
&end
#
# 51 VAL QG1 62 PHE HE 5.03
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.78, r4= 7.28,
igr1= 882, 883, 884,
igr2=1070,1074,
&end
#
# 51 VAL HA 51 VAL QG1 3.54
&rst
ixpk= 0, nxpk= 0, iat= 878, -1, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75,
igr2= 882, 883, 884,
&end
#
# 51 VAL QG1 60 ARG QG 4.25
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.73, r4= 6.23,
igr1= 882, 883, 884,
igr2=1036,1037,
&end
#
# 92 VAL H 92 VAL QG2 4.45
&rst
ixpk= 0, nxpk= 0, iat=1546, -1, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
igr2=1556,1557,1558,
&end
#
# 92 VAL HA 92 VAL QG2 3.69
&rst
ixpk= 0, nxpk= 0, iat=1548, -1, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93,
igr2=1556,1557,1558,
&end
#
# 81 ASN HA 92 VAL QG2 4.50
&rst
ixpk= 0, nxpk= 0, iat=1366, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2=1556,1557,1558,
&end
#
# 23 VAL QG2 92 VAL QG2 4.10
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.91, r4= 6.41,
igr1= 438, 439, 440,
igr2=1556,1557,1558,
&end
#
# 32 GLU HA 48 VAL QG1 3.40
&rst
ixpk= 0, nxpk= 0, iat= 571, -1, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58,
igr2= 836, 837, 838,
&end
#
# 31 THR QG2 32 GLU H 3.72
&rst
ixpk= 0, nxpk= 0, iat= -1, 569, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97,
igr1= 561, 562, 563,
&end
#
# 31 THR H 31 THR QG2 3.56
&rst
ixpk= 0, nxpk= 0, iat= 555, -1, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78,
igr2= 561, 562, 563,
&end
#
# 31 THR HA 31 THR QG2 2.85
&rst
ixpk= 0, nxpk= 0, iat= 557, -1, r1= 1.30, r2= 1.80, r3= 3.42, r4= 3.92,
igr2= 561, 562, 563,
&end
#
# 77 LYS HA 92 VAL QG2 5.00
&rst
ixpk= 0, nxpk= 0, iat=1295, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr2=1556,1557,1558,
&end
#
# 48 VAL QG1 49 SER H 3.69
&rst
ixpk= 0, nxpk= 0, iat= -1, 846, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93,
igr1= 836, 837, 838,
&end
#
# 28 LEU HA 28 LEU QD1 3.12
&rst
ixpk= 0, nxpk= 0, iat= 503, -1, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25,
igr2= 510, 511, 512,
&end
#
# 28 LEU QB 28 LEU QD1 3.34
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,
igr1= 505, 506,
igr2= 510, 511, 512,
&end
#
# 46 ALA H 65 VAL QG2 5.08
&rst
ixpk= 0, nxpk= 0, iat= 808, -1, r1= 1.30, r2= 1.80, r3= 6.10, r4= 6.60,
igr2=1120,1121,1122,
&end
#
# 31 THR QG2 32 GLU HB3 5.17
&rst
ixpk= 0, nxpk= 0, iat= -1, 574, r1= 1.30, r2= 1.80, r3= 6.21, r4= 6.71,
igr1= 561, 562, 563,
&end
#
# 31 THR QG2 50 ILE QD1 5.13
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.40, r4= 7.90,
igr1= 561, 562, 563,
igr2= 870, 871, 872,
&end
#
# 65 VAL QG2 66 TYR H 3.73
&rst
ixpk= 0, nxpk= 0, iat= -1,1126, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98,
igr1=1120,1121,1122,
&end
#
# 39 PHE HD 65 VAL QG2 4.56
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65,
igr1= 702, 710,
igr2=1120,1121,1122,
&end
#
# 65 VAL QG2 67 PHE HD 4.92
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.63, r4= 7.13,
igr1=1120,1121,1122,
igr2=1155,1163,
&end
#
# 65 VAL QG2 67 PHE HE 4.41
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr1=1120,1121,1122,
igr2=1157,1161,
&end
#
# 65 VAL HA 65 VAL QG2 3.77
&rst
ixpk= 0, nxpk= 0, iat=1112, -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
igr2=1120,1121,1122,
&end
#
# 39 PHE HB3 65 VAL QG2 4.15
&rst
ixpk= 0, nxpk= 0, iat= 699, -1, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48,
igr2=1120,1121,1122,
&end
#
# 39 PHE HB2 65 VAL QG2 4.22
&rst
ixpk= 0, nxpk= 0, iat= 698, -1, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,
igr2=1120,1121,1122,
&end
#
# 48 VAL QG1 65 VAL QG2 3.55
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
igr1= 836, 837, 838,
igr2=1120,1121,1122,
&end
#
# 45 ILE QG2 65 VAL QG2 3.99
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25,
igr1= 795, 796, 797,
igr2=1120,1121,1122,
&end
#
# 23 VAL HA 92 VAL QG1 3.58
&rst
ixpk= 0, nxpk= 0, iat= 430, -1, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,
igr2=1552,1553,1554,
&end
#
# 38 VAL H 38 VAL QG1 3.73
&rst
ixpk= 0, nxpk= 0, iat= 678, -1, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98,
igr2= 684, 685, 686,
&end
#
# 38 VAL QG1 39 PHE HE 4.40
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43,
igr1= 684, 685, 686,
igr2= 704, 708,
&end
#
# 35 LEU HA 38 VAL QG1 4.63
&rst
ixpk= 0, nxpk= 0, iat= 622, -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
igr2= 684, 685, 686,
&end
#
# 37 GLU HB2 38 VAL QG1 5.19
&rst
ixpk= 0, nxpk= 0, iat= 667, -1, r1= 1.30, r2= 1.80, r3= 6.23, r4= 6.73,
igr2= 684, 685, 686,
&end
#
# 23 VAL QG2 63 ALA H 5.11
&rst
ixpk= 0, nxpk= 0, iat= -1,1080, r1= 1.30, r2= 1.80, r3= 6.14, r4= 6.64,
igr1= 438, 439, 440,
&end
#
# 23 VAL QG2 39 PHE HE 3.88
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73,
igr1= 438, 439, 440,
igr2= 704, 708,
&end
#
# 23 VAL HA 23 VAL QG2 3.90
&rst
ixpk= 0, nxpk= 0, iat= 430, -1, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,
igr2= 438, 439, 440,
&end
#
# 42 TYR HD 76 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= 755, 764,
igr2=1287,1288,1289,
&end
#
# 42 TYR HE 76 ALA QB 4.67
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1= 757, 762,
igr2=1287,1288,1289,
&end
#
# 42 TYR HB3 76 ALA QB 4.10
&rst
ixpk= 0, nxpk= 0, iat= 752, -1, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,
igr2=1287,1288,1289,
&end
#
# 73 ALA HA 76 ALA QB 3.63
&rst
ixpk= 0, nxpk= 0, iat=1238, -1, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86,
igr2=1287,1288,1289,
&end
#
# 21 LEU QD2 76 ALA QB 4.36
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.29, r4= 6.79,
igr1= 415, 416, 417,
igr2=1287,1288,1289,
&end
#
# 23 VAL H 23 VAL QG2 4.10
&rst
ixpk= 0, nxpk= 0, iat= 428, -1, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,
igr2= 438, 439, 440,
&end
#
# 65 VAL QG1 67 PHE HE 5.33
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.18, r4= 7.68,
igr1=1116,1117,1118,
igr2=1157,1161,
&end
#
# 39 PHE HE 65 VAL QG1 4.62
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.23, r4= 6.73,
igr1= 704, 708,
igr2=1116,1117,1118,
&end
#
# 73 ALA QB 76 ALA QB 4.42
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.37, r4= 6.87,
igr1=1240,1241,1242,
igr2=1287,1288,1289,
&end
#
# 67 PHE HZ 76 ALA QB 3.78
&rst
ixpk= 0, nxpk= 0, iat=1159, -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
igr2=1287,1288,1289,
&end
#
# 65 VAL H 65 VAL QG1 3.83
&rst
ixpk= 0, nxpk= 0, iat=1110, -1, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
igr2=1116,1117,1118,
&end
#
# 64 PHE HA 65 VAL QG1 4.71
&rst
ixpk= 0, nxpk= 0, iat=1092, -1, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
igr2=1116,1117,1118,
&end
#
# 48 VAL HB 65 VAL QG1 4.30
&rst
ixpk= 0, nxpk= 0, iat= 834, -1, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
igr2=1116,1117,1118,
&end
#
# 35 LEU HB2 65 VAL QG1 4.89
&rst
ixpk= 0, nxpk= 0, iat= 624, -1, r1= 1.30, r2= 1.80, r3= 5.87, r4= 6.37,
igr2=1116,1117,1118,
&end
#
# 35 LEU QD2 65 VAL QG1 3.78
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95,
igr1= 633, 634, 635,
igr2=1116,1117,1118,
&end
#
# 35 LEU QD1 65 VAL QG1 4.01
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28,
igr1= 629, 630, 631,
igr2=1116,1117,1118,
&end
#
# 39 PHE HD 65 VAL QG1 4.46
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.01, r4= 6.51,
igr1= 702, 710,
igr2=1116,1117,1118,
&end
#
# 48 VAL HA 65 VAL QG1 5.23
&rst
ixpk= 0, nxpk= 0, iat= 832, -1, r1= 1.30, r2= 1.80, r3= 6.28, r4= 6.78,
igr2=1116,1117,1118,
&end
#
# 46 ALA H 46 ALA QB 3.42
&rst
ixpk= 0, nxpk= 0, iat= 808, -1, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,
igr2= 812, 813, 814,
&end
#
# 46 ALA QB 66 TYR HD 5.44
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.33, r4= 7.83,
igr1= 812, 813, 814,
igr2=1134,1143,
&end
#
# 46 ALA QB 66 TYR HB2 4.01
&rst
ixpk= 0, nxpk= 0, iat= -1,1130, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32,
igr1= 812, 813, 814,
&end
#
# 46 ALA QB 68 GLU HG2 3.66
&rst
ixpk= 0, nxpk= 0, iat= -1,1174, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,
igr1= 812, 813, 814,
&end
#
# 80 ALA QB 83 MET H 5.17
&rst
ixpk= 0, nxpk= 0, iat= -1,1385, r1= 1.30, r2= 1.80, r3= 6.21, r4= 6.71,
igr1=1358,1359,1360,
&end
#
# 80 ALA QB 81 ASN H 4.20
&rst
ixpk= 0, nxpk= 0, iat= -1,1364, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr1=1358,1359,1360,
&end
#
# 42 TYR HE 80 ALA QB 4.01
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.41, r4= 5.91,
igr1= 757, 762,
igr2=1358,1359,1360,
&end
#
# 79 ARG HB3 80 ALA QB 4.06
&rst
ixpk= 0, nxpk= 0, iat=1335, -1, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,
igr2=1358,1359,1360,
&end
#
# 12 ARG H 13 ALA QB 5.07
&rst
ixpk= 0, nxpk= 0, iat= 278, -1, r1= 1.30, r2= 1.80, r3= 6.09, r4= 6.59,
igr2= 306, 307, 308,
&end
#
# 12 ARG HA 13 ALA QB 5.23
&rst
ixpk= 0, nxpk= 0, iat= 280, -1, r1= 1.30, r2= 1.80, r3= 6.28, r4= 6.78,
igr2= 306, 307, 308,
&end
#
# 67 PHE HD 73 ALA QB 3.60
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
igr1=1155,1163,
igr2=1240,1241,1242,
&end
#
# 73 ALA H 73 ALA QB 3.46
&rst
ixpk= 0, nxpk= 0, iat=1236, -1, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66,
igr2=1240,1241,1242,
&end
#
# 72 ASP HA 73 ALA QB 5.01
&rst
ixpk= 0, nxpk= 0, iat=1226, -1, r1= 1.30, r2= 1.80, r3= 6.02, r4= 6.52,
igr2=1240,1241,1242,
&end
#
# 90 ILE H 90 ILE QG2 3.49
&rst
ixpk= 0, nxpk= 0, iat=1503, -1, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69,
igr2=1509,1510,1511,
&end
#
# 90 ILE QG2 90 ILE QD1 3.26
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,
igr1=1509,1510,1511,
igr2=1516,1517,1518,
&end
#
# 67 PHE H 73 ALA QB 5.25
&rst
ixpk= 0, nxpk= 0, iat=1147, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr2=1240,1241,1242,
&end
#
# 73 ALA QB 74 LYS H 3.87
&rst
ixpk= 0, nxpk= 0, iat= -1,1246, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,
igr1=1240,1241,1242,
&end
#
# 67 PHE HE 73 ALA QB 5.22
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.04, r4= 7.54,
igr1=1157,1161,
igr2=1240,1241,1242,
&end
#
# 67 PHE HA 73 ALA QB 5.07
&rst
ixpk= 0, nxpk= 0, iat=1149, -1, r1= 1.30, r2= 1.80, r3= 6.09, r4= 6.59,
igr2=1240,1241,1242,
&end
#
# 96 ILE HA 96 ILE QG2 3.15
&rst
ixpk= 0, nxpk= 0, iat=1607, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr2=1611,1612,1613,
&end
#
# 96 ILE QG2 96 ILE QD1 3.74
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1=1611,1612,1613,
igr2=1618,1619,1620,
&end
#
# 45 ILE QG2 67 PHE HD 5.09
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.86, r4= 7.36,
igr1= 795, 796, 797,
igr2=1155,1163,
&end
#
# 45 ILE QG2 46 ALA H 3.83
&rst
ixpk= 0, nxpk= 0, iat= -1, 808, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
igr1= 795, 796, 797,
&end
#
# 45 ILE H 45 ILE QG2 4.19
&rst
ixpk= 0, nxpk= 0, iat= 789, -1, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,
igr2= 795, 796, 797,
&end
#
# 45 ILE QG2 67 PHE HA 4.43
&rst
ixpk= 0, nxpk= 0, iat= -1,1149, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82,
igr1= 795, 796, 797,
&end
#
# 45 ILE HA 45 ILE QG2 3.83
&rst
ixpk= 0, nxpk= 0, iat= 791, -1, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
igr2= 795, 796, 797,
&end
#
# 45 ILE QG2 48 VAL HB 4.93
&rst
ixpk= 0, nxpk= 0, iat= -1, 834, r1= 1.30, r2= 1.80, r3= 5.92, r4= 6.42,
igr1= 795, 796, 797,
&end
#
# 45 ILE QG2 45 ILE HG12 3.19
&rst
ixpk= 0, nxpk= 0, iat= -1, 799, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33,
igr1= 795, 796, 797,
&end
#
# 45 ILE QG2 45 ILE QD1 3.39
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39,
igr1= 795, 796, 797,
igr2= 802, 803, 804,
&end
#
# 36 ARG HA 45 ILE QG2 4.55
&rst
ixpk= 0, nxpk= 0, iat= 641, -1, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96,
igr2= 795, 796, 797,
&end
#
# 83 MET QE 84 GLU H 4.28
&rst
ixpk= 0, nxpk= 0, iat= -1,1402, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
igr1=1396,1397,1398,
&end
#
# 83 MET QE 85 LEU HA 4.65
&rst
ixpk= 0, nxpk= 0, iat= -1,1419, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08,
igr1=1396,1397,1398,
&end
#
# 83 MET HG3 83 MET QE 4.17
&rst
ixpk= 0, nxpk= 0, iat=1393, -1, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51,
igr2=1396,1397,1398,
&end
#
# 83 MET HB3 83 MET QE 3.33
&rst
ixpk= 0, nxpk= 0, iat=1390, -1, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
igr2=1396,1397,1398,
&end
#
# 83 MET QE 85 LEU HB3 4.11
&rst
ixpk= 0, nxpk= 0, iat= -1,1422, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
igr1=1396,1397,1398,
&end
#
# 83 MET QE 85 LEU HB2 3.55
&rst
ixpk= 0, nxpk= 0, iat= -1,1421, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76,
igr1=1396,1397,1398,
&end
#
# 83 MET QE 85 LEU QD2 4.02
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
igr1=1396,1397,1398,
igr2=1430,1431,1432,
&end
#
# 38 VAL QG2 83 MET QE 3.74
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1= 688, 689, 690,
igr2=1396,1397,1398,
&end
#
# 83 MET QE 90 ILE QD1 4.07
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.87, r4= 6.37,
igr1=1396,1397,1398,
igr2=1516,1517,1518,
&end
#
# 38 VAL QG1 83 MET QE 3.65
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76,
igr1= 684, 685, 686,
igr2=1396,1397,1398,
&end
#
# 50 ILE QG2 52 TYR HD 4.52
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.09, r4= 6.59,
igr1= 863, 864, 865,
igr2= 900, 909,
&end
#
# 50 ILE QG2 52 TYR HE 4.41
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr1= 863, 864, 865,
igr2= 902, 907,
&end
#
# 50 ILE QG2 51 VAL HA 4.28
&rst
ixpk= 0, nxpk= 0, iat= -1, 878, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
igr1= 863, 864, 865,
&end
#
# 50 ILE HA 50 ILE QG2 3.65
&rst
ixpk= 0, nxpk= 0, iat= 859, -1, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,
igr2= 863, 864, 865,
&end
#
# 50 ILE QG2 50 ILE HG13 3.98
&rst
ixpk= 0, nxpk= 0, iat= -1, 868, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28,
igr1= 863, 864, 865,
&end
#
# 50 ILE QG2 50 ILE HG12 3.76
&rst
ixpk= 0, nxpk= 0, iat= -1, 867, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02,
igr1= 863, 864, 865,
&end
#
# 32 GLU HG3 50 ILE QG2 5.30
&rst
ixpk= 0, nxpk= 0, iat= 577, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr2= 863, 864, 865,
&end
#
# 85 LEU H 90 ILE QD1 4.67
&rst
ixpk= 0, nxpk= 0, iat=1417, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2=1516,1517,1518,
&end
#
# 83 MET HG2 90 ILE QD1 4.29
&rst
ixpk= 0, nxpk= 0, iat=1392, -1, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,
igr2=1516,1517,1518,
&end
#
# 85 LEU HB2 90 ILE QD1 4.23
&rst
ixpk= 0, nxpk= 0, iat=1421, -1, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,
igr2=1516,1517,1518,
&end
#
# 96 ILE HA 96 ILE QD1 4.70
&rst
ixpk= 0, nxpk= 0, iat=1607, -1, r1= 1.30, r2= 1.80, r3= 5.64, r4= 6.14,
igr2=1618,1619,1620,
&end
#
# 96 ILE HB 96 ILE QD1 3.75
&rst
ixpk= 0, nxpk= 0, iat=1609, -1, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,
igr2=1618,1619,1620,
&end
#
# 90 ILE H 90 ILE QD1 4.11
&rst
ixpk= 0, nxpk= 0, iat=1503, -1, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
igr2=1516,1517,1518,
&end
#
# 90 ILE HA 90 ILE QD1 4.43
&rst
ixpk= 0, nxpk= 0, iat=1505, -1, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82,
igr2=1516,1517,1518,
&end
#
# 82 GLY HA2 90 ILE QD1 5.50
&rst
ixpk= 0, nxpk= 0, iat=1380, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1516,1517,1518,
&end
#
# 50 ILE QD1 51 VAL H 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 876, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 870, 871, 872,
&end
#
# 32 GLU HB3 50 ILE QD1 4.35
&rst
ixpk= 0, nxpk= 0, iat= 574, -1, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
igr2= 870, 871, 872,
&end
#
# 31 THR HA 50 ILE QD1 3.63
&rst
ixpk= 0, nxpk= 0, iat= 557, -1, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86,
igr2= 870, 871, 872,
&end
#
# 32 GLU HA 50 ILE QD1 3.82
&rst
ixpk= 0, nxpk= 0, iat= 571, -1, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09,
igr2= 870, 871, 872,
&end
#
# 32 GLU HG2 50 ILE QD1 5.06
&rst
ixpk= 0, nxpk= 0, iat= 576, -1, r1= 1.30, r2= 1.80, r3= 6.08, r4= 6.58,
igr2= 870, 871, 872,
&end
#
# 50 ILE H 50 ILE QD1 4.52
&rst
ixpk= 0, nxpk= 0, iat= 857, -1, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,
igr2= 870, 871, 872,
&end
#
# 32 GLU HG3 50 ILE QD1 3.95
&rst
ixpk= 0, nxpk= 0, iat= 577, -1, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,
igr2= 870, 871, 872,
&end
#
# 50 ILE HB 50 ILE QD1 3.65
&rst
ixpk= 0, nxpk= 0, iat= 861, -1, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,
igr2= 870, 871, 872,
&end
#
# 48 VAL QG1 50 ILE QD1 4.44
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.40, r4= 6.90,
igr1= 836, 837, 838,
igr2= 870, 871, 872,
&end
#
# 50 ILE QG2 50 ILE QD1 3.51
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,
igr1= 863, 864, 865,
igr2= 870, 871, 872,
&end
#
# 45 ILE QD1 67 PHE HD 5.03
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.78, r4= 7.28,
igr1= 802, 803, 804,
igr2=1155,1163,
&end
#
# 45 ILE HA 45 ILE QD1 3.89
&rst
ixpk= 0, nxpk= 0, iat= 791, -1, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,
igr2= 802, 803, 804,
&end
#
# 36 ARG HA 45 ILE QD1 4.06
&rst
ixpk= 0, nxpk= 0, iat= 641, -1, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,
igr2= 802, 803, 804,
&end
#
# 39 PHE HB3 45 ILE QD1 3.75
&rst
ixpk= 0, nxpk= 0, iat= 699, -1, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,
igr2= 802, 803, 804,
&end
#
# 39 PHE HB2 45 ILE QD1 3.90
&rst
ixpk= 0, nxpk= 0, iat= 698, -1, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,
igr2= 802, 803, 804,
&end
#
# 44 PRO QG 45 ILE QD1 5.02
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.77, r4= 7.27,
igr1= 779, 780,
igr2= 802, 803, 804,
&end
#
# 45 ILE QD1 67 PHE HA 4.15
&rst
ixpk= 0, nxpk= 0, iat= -1,1149, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48,
igr1= 802, 803, 804,
&end
#
# 65 VAL QG1 66 TYR HD 5.06
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.82, r4= 7.32,
igr1=1116,1117,1118,
igr2=1134,1143,
&end
#
# 52 TYR H 52 TYR HD 3.83
&rst
ixpk= 0, nxpk= 0, iat= 892, -1, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,
igr2= 900, 909,
&end
#
# 52 TYR HD 59 SER HB3 3.37
&rst
ixpk= 0, nxpk= 0, iat= -1,1023, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1= 900, 909,
&end
#
# 50 ILE HB 52 TYR HD 5.22
&rst
ixpk= 0, nxpk= 0, iat= 861, -1, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36,
igr2= 900, 909,
&end
#
# 42 TYR HA 42 TYR HD 3.19
&rst
ixpk= 0, nxpk= 0, iat= 749, -1, r1= 1.30, r2= 1.80, r3= 3.58, r4= 4.08,
igr2= 755, 764,
&end
#
# 29 TYR H 29 TYR HD 4.48
&rst
ixpk= 0, nxpk= 0, iat= 520, -1, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,
igr2= 528, 537,
&end
#
# 29 TYR HA 29 TYR HD 3.60
&rst
ixpk= 0, nxpk= 0, iat= 522, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr2= 528, 537,
&end
#
# 28 LEU QB 29 TYR HD 4.54
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,
igr1= 505, 506,
igr2= 528, 537,
&end
#
# 24 PHE HA 62 PHE HD 4.41
&rst
ixpk= 0, nxpk= 0, iat= 446, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr2=1068,1076,
&end
#
# 60 ARG HB3 62 PHE HD 3.54
&rst
ixpk= 0, nxpk= 0, iat=1034, -1, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47,
igr2=1068,1076,
&end
#
# 67 PHE HE 73 ALA HA 4.45
&rst
ixpk= 0, nxpk= 0, iat= -1,1238, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49,
igr1=1157,1161,
&end
#
# 45 ILE QD1 67 PHE HE 4.29
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28,
igr1= 802, 803, 804,
igr2=1157,1161,
&end
#
# 24 PHE HA 24 PHE HD 4.40
&rst
ixpk= 0, nxpk= 0, iat= 446, -1, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
igr2= 452, 460,
&end
#
# 38 VAL QG2 39 PHE HD 4.02
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,
igr1= 688, 689, 690,
igr2= 702, 710,
&end
#
# 24 PHE HD 62 PHE HB2 3.91
&rst
ixpk= 0, nxpk= 0, iat= -1,1064, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89,
igr1= 452, 460,
&end
#
# 24 PHE H 24 PHE HD 4.03
&rst
ixpk= 0, nxpk= 0, iat= 444, -1, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02,
igr2= 452, 460,
&end
#
# 35 LEU HB3 39 PHE HD 4.62
&rst
ixpk= 0, nxpk= 0, iat= 625, -1, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,
igr2= 702, 710,
&end
#
# 39 PHE HD 45 ILE QD1 4.20
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
igr1= 702, 710,
igr2= 802, 803, 804,
&end
#
# 21 LEU HB2 39 PHE HE 4.68
&rst
ixpk= 0, nxpk= 0, iat= 406, -1, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75,
igr2= 704, 708,
&end
#
# 24 PHE HA 62 PHE HE 4.15
&rst
ixpk= 0, nxpk= 0, iat= 446, -1, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,
igr2=1070,1074,
&end
#
# 60 ARG HB3 62 PHE HE 4.32
&rst
ixpk= 0, nxpk= 0, iat=1034, -1, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
igr2=1070,1074,
&end
#
# 60 ARG QG 62 PHE HE 5.33
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.72, r4= 7.22,
igr1=1036,1037,
igr2=1070,1074,
&end
#
# 51 VAL HB 64 PHE HE 4.07
&rst
ixpk= 0, nxpk= 0, iat= 880, -1, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07,
igr2=1100,1104,
&end
#
# 65 VAL H 66 TYR HE 5.50
&rst
ixpk= 0, nxpk= 0, iat=1110, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1136,1141,
&end
#
# 64 PHE HB2 66 TYR HE 4.16
&rst
ixpk= 0, nxpk= 0, iat=1094, -1, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,
igr2=1136,1141,
&end
#
# 64 PHE HD 66 TYR HE 5.26
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.63, r4= 7.13,
igr1=1098,1106,
igr2=1136,1141,
&end
#
# 28 LEU QB 29 TYR HE 4.67
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
igr1= 505, 506,
igr2= 530, 535,
&end
#
# 42 TYR HE 79 ARG HG3 3.68
&rst
ixpk= 0, nxpk= 0, iat= -1,1338, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63,
igr1= 757, 762,
&end
#
# 52 TYR HE 59 SER HB3 3.70
&rst
ixpk= 0, nxpk= 0, iat= -1,1023, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65,
igr1= 902, 907,
&end
#
# 50 ILE QD1 52 TYR HE 4.83
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.51, r4= 7.01,
igr1= 870, 871, 872,
igr2= 902, 907,
&end
#
# 1 ADE H8 1 ADE H1' 3.50
&rst
ixpk= 0, nxpk= 0, iat= 13, 10, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,
rk2=50, rk3=50, ir6=1, ialtd=0,
&end
#
# 1 ADE H8 1 ADE H2' 4.50
&rst
ixpk= 0, nxpk= 0, iat= 13, 28, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 1 ADE H8 1 ADE H3' 3.50
&rst
ixpk= 0, nxpk= 0, iat= 13, 26, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 1 ADE H8 1 ADE H4' 4.00
&rst
ixpk= 0, nxpk= 0, iat= 13, 7, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 1 ADE H8 1 ADE H5' 3.50
&rst
ixpk= 0, nxpk= 0, iat= 13, 4, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 1 ADE H8 1 ADE H5" 3.50
&rst
ixpk= 0, nxpk= 0, iat= 13, 5, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 1 ADE H2 1 ADE H1' 4.50
&rst
ixpk= 0, nxpk= 0, iat= 22, 10, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 1 ADE H2 1 ADE H2' 4.50
&rst
ixpk= 0, nxpk= 0, iat= 22, 28, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 1 ADE H1' 1 ADE H2' 3.00
&rst
ixpk= 0, nxpk= 0, iat= 10, 28, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 1 ADE H1' 1 ADE H3' 3.50
&rst
ixpk= 0, nxpk= 0, iat= 10, 26, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 1 ADE H1' 1 ADE H4' 4.00
&rst
ixpk= 0, nxpk= 0, iat= 10, 7, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 1 ADE H1' 1 ADE H5' 4.50
&rst
ixpk= 0, nxpk= 0, iat= 10, 4, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 1 ADE H1' 1 ADE H5" 4.50
&rst
ixpk= 0, nxpk= 0, iat= 10, 5, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 1 ADE H2' 1 ADE H3' 3.00
&rst
ixpk= 0, nxpk= 0, iat= 28, 26, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 1 ADE H2' 1 ADE H4' 5.00
&rst
ixpk= 0, nxpk= 0, iat= 28, 7, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 1 ADE H2' 1 ADE H5' 5.00
&rst
ixpk= 0, nxpk= 0, iat= 28, 4, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 1 ADE H2' 1 ADE H5" 5.00
&rst
ixpk= 0, nxpk= 0, iat= 28, 5, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 1 ADE H3' 1 ADE H4' 3.00
&rst
ixpk= 0, nxpk= 0, iat= 26, 7, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 1 ADE H3' 1 ADE H5' 3.50
&rst
ixpk= 0, nxpk= 0, iat= 26, 4, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 1 ADE H3' 1 ADE H5" 3.50
&rst
ixpk= 0, nxpk= 0, iat= 26, 5, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 1 ADE H4' 1 ADE H5' 3.00
&rst
ixpk= 0, nxpk= 0, iat= 7, 4, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 1 ADE H4' 1 ADE H5" 3.00
&rst
ixpk= 0, nxpk= 0, iat= 7, 5, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 2 ADE H8 1 ADE H8 5.00
&rst
ixpk= 0, nxpk= 0, iat= 46, 13, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 2 ADE H8 1 ADE H1' 5.00
&rst
ixpk= 0, nxpk= 0, iat= 46, 10, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 2 ADE H8 1 ADE H2' 3.50
&rst
ixpk= 0, nxpk= 0, iat= 46, 28, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 2 ADE H8 1 ADE H3' 3.50
&rst
ixpk= 0, nxpk= 0, iat= 46, 26, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 2 ADE H8 1 ADE Q5' 5.50
&rst
ixpk= 0, nxpk= 0, iat= 46, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 4, 5,
&end
#
# 1 ADE H2 2 ADE H1' 4.00
&rst
ixpk= 0, nxpk= 0, iat= 22, 43, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 1 ADE H2 2 ADE H2 4.00
&rst
ixpk= 0, nxpk= 0, iat= 22, 55, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 2 ADE H8 2 ADE H1' 4.00
&rst
ixpk= 0, nxpk= 0, iat= 46, 43, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 2 ADE H8 2 ADE H2' 4.00
&rst
ixpk= 0, nxpk= 0, iat= 46, 61, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 2 ADE H8 2 ADE H3' 5.00
&rst
ixpk= 0, nxpk= 0, iat= 46, 59, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 2 ADE H8 2 ADE H4' 5.00
&rst
ixpk= 0, nxpk= 0, iat= 46, 40, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 2 ADE H8 2 ADE H5' 3.50
&rst
ixpk= 0, nxpk= 0, iat= 46, 37, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 2 ADE H8 2 ADE H5" 5.50
&rst
ixpk= 0, nxpk= 0, iat= 46, 38, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 2 ADE H2 2 ADE H1' 5.00
&rst
ixpk= 0, nxpk= 0, iat= 55, 43, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 2 ADE H2 2 ADE H2' 5.00
&rst
ixpk= 0, nxpk= 0, iat= 55, 61, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 2 ADE H1' 2 ADE H2' 3.00
&rst
ixpk= 0, nxpk= 0, iat= 43, 61, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 2 ADE H1' 2 ADE H3' 4.00
&rst
ixpk= 0, nxpk= 0, iat= 43, 59, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 2 ADE H1' 2 ADE H4' 4.00
&rst
ixpk= 0, nxpk= 0, iat= 43, 40, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 2 ADE H1' 2 ADE Q5' 5.50
&rst
ixpk= 0, nxpk= 0, iat= 43, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 37, 38,
&end
#
# 2 ADE H4' 2 ADE H2' 4.00
&rst
ixpk= 0, nxpk= 0, iat= 40, 61, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 2 ADE H4' 2 ADE Q5' 3.00
&rst
ixpk= 0, nxpk= 0, iat= 40, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2= 37, 38,
&end
#
# 2 ADE Q5' 2 ADE H2' 3.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 61, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1= 37, 38,
&end
#
# 2 ADE Q5' 2 ADE H3' 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 59, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 37, 38,
&end
#
# 3 GUA H5' 3 GUA H8 5.00
&rst
ixpk= 0, nxpk= 0, iat= 70, 79, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 3 GUA H5" 3 GUA H8 5.00
&rst
ixpk= 0, nxpk= 0, iat= 71, 79, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 3 GUA H8 3 GUA H1' 4.00
&rst
ixpk= 0, nxpk= 0, iat= 79, 76, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 3 GUA H8 3 GUA H4' 5.00
&rst
ixpk= 0, nxpk= 0, iat= 79, 73, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 3 GUA H3' 3 GUA H8 3.50
&rst
ixpk= 0, nxpk= 0, iat= 93, 79, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 3 GUA H4' 3 GUA H8 5.00
&rst
ixpk= 0, nxpk= 0, iat= 73, 79, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 3 GUA H1' 3 GUA H2' 4.00
&rst
ixpk= 0, nxpk= 0, iat= 76, 95, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 3 GUA H1' 3 GUA H3' 4.00
&rst
ixpk= 0, nxpk= 0, iat= 76, 93, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 3 GUA H1' 3 GUA H4' 5.00
&rst
ixpk= 0, nxpk= 0, iat= 76, 73, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 3 GUA H2' 3 GUA H3' 3.00
&rst
ixpk= 0, nxpk= 0, iat= 95, 93, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 3 GUA H3' 3 GUA H5' 3.50
&rst
ixpk= 0, nxpk= 0, iat= 93, 70, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 3 GUA H3' 3 GUA H5" 3.50
&rst
ixpk= 0, nxpk= 0, iat= 93, 71, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 3 GUA H4' 3 GUA Q5' 3.00
&rst
ixpk= 0, nxpk= 0, iat= 73, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2= 70, 71,
&end
#
# 2 ADE H1' 3 GUA H8 4.00
&rst
ixpk= 0, nxpk= 0, iat= 43, 79, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 2 ADE H2' 3 GUA H8 4.00
&rst
ixpk= 0, nxpk= 0, iat= 61, 79, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 2 ADE H3' 3 GUA H8 4.00
&rst
ixpk= 0, nxpk= 0, iat= 59, 79, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 4 ADE H5' 3 GUA H1' 4.50
&rst
ixpk= 0, nxpk= 0, iat= 104, 76, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 4 ADE H2 3 GUA H1' 3.00
&rst
ixpk= 0, nxpk= 0, iat= 122, 76, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 4 ADE H8 4 ADE H1' 3.00
&rst
ixpk= 0, nxpk= 0, iat= 113, 110, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 4 ADE H8 4 ADE H2' 5.50
&rst
ixpk= 0, nxpk= 0, iat= 113, 128, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 4 ADE H8 4 ADE H3' 6.00
&rst
ixpk= 0, nxpk= 0, iat= 113, 126, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 4 ADE H1' 4 ADE H2 6.00
&rst
ixpk= 0, nxpk= 0, iat= 110, 122, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 4 ADE H2' 4 ADE H2 4.00
&rst
ixpk= 0, nxpk= 0, iat= 128, 122, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 4 ADE H3' 4 ADE H2 5.00
&rst
ixpk= 0, nxpk= 0, iat= 126, 122, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 4 ADE Q5' 4 ADE H2 4.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 122, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1= 104, 105,
&end
#
# 4 ADE H1' 4 ADE H2' 4.00
&rst
ixpk= 0, nxpk= 0, iat= 110, 128, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 4 ADE H1' 4 ADE H3' 4.50
&rst
ixpk= 0, nxpk= 0, iat= 110, 126, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 4 ADE H1' 4 ADE H4' 5.00
&rst
ixpk= 0, nxpk= 0, iat= 110, 107, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 4 ADE H1' 4 ADE H5' 6.00
&rst
ixpk= 0, nxpk= 0, iat= 110, 104, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 4 ADE H1' 4 ADE H5" 6.00
&rst
ixpk= 0, nxpk= 0, iat= 110, 105, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 4 ADE H2' 4 ADE H3' 3.50
&rst
ixpk= 0, nxpk= 0, iat= 128, 126, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 4 ADE H2' 4 ADE H5' 4.00
&rst
ixpk= 0, nxpk= 0, iat= 128, 104, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 4 ADE H3' 4 ADE H4' 5.50
&rst
ixpk= 0, nxpk= 0, iat= 126, 107, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 4 ADE H3' 4 ADE H5' 4.50
&rst
ixpk= 0, nxpk= 0, iat= 126, 104, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 4 ADE H3' 4 ADE H5" 4.50
&rst
ixpk= 0, nxpk= 0, iat= 126, 105, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 4 ADE H4' 4 ADE H2' 3.50
&rst
ixpk= 0, nxpk= 0, iat= 107, 128, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 4 ADE Q5' 4 ADE H4' 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 107, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 104, 105,
&end
#
# 4 ADE H8 5 ADE H8 4.00
&rst
ixpk= 0, nxpk= 0, iat= 113, 146, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 4 ADE H1' 5 ADE H8 3.50
&rst
ixpk= 0, nxpk= 0, iat= 110, 146, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 4 ADE H2' 5 ADE H8 7.00
&rst
ixpk= 0, nxpk= 0, iat= 128, 146, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 4 ADE H3' 5 ADE H8 5.50
&rst
ixpk= 0, nxpk= 0, iat= 126, 146, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 5 ADE H8 5 ADE H1' 3.50
&rst
ixpk= 0, nxpk= 0, iat= 146, 143, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 5 ADE H8 5 ADE H2' 3.00
&rst
ixpk= 0, nxpk= 0, iat= 146, 161, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 5 ADE H8 5 ADE H3' 4.00
&rst
ixpk= 0, nxpk= 0, iat= 146, 159, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 5 ADE H8 5 ADE H4' 5.50
&rst
ixpk= 0, nxpk= 0, iat= 146, 140, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 5 ADE H1' 5 ADE H2' 3.00
&rst
ixpk= 0, nxpk= 0, iat= 143, 161, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 5 ADE H1' 5 ADE H3' 4.00
&rst
ixpk= 0, nxpk= 0, iat= 143, 159, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 5 ADE H1' 5 ADE H4' 4.00
&rst
ixpk= 0, nxpk= 0, iat= 143, 140, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 5 ADE H2' 5 ADE H3' 3.00
&rst
ixpk= 0, nxpk= 0, iat= 161, 159, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 5 ADE H2' 5 ADE H4' 4.00
&rst
ixpk= 0, nxpk= 0, iat= 161, 140, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 5 ADE H3' 5 ADE H4' 3.00
&rst
ixpk= 0, nxpk= 0, iat= 159, 140, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 5 ADE H2' 6 CYT H6 3.00
&rst
ixpk= 0, nxpk= 0, iat= 161, 179, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 5 ADE H3' 6 CYT H6 3.00
&rst
ixpk= 0, nxpk= 0, iat= 159, 179, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 5 ADE H8 6 CYT H6 5.00
&rst
ixpk= 0, nxpk= 0, iat= 146, 179, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 5 ADE H2 6 CYT H1' 5.50
&rst
ixpk= 0, nxpk= 0, iat= 155, 176, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 5 ADE H2 6 CYT H5 4.50
&rst
ixpk= 0, nxpk= 0, iat= 155, 181, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 6 CYT H2' 6 CYT H5 5.50
&rst
ixpk= 0, nxpk= 0, iat= 192, 181, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 6 CYT H3' 6 CYT H5 6.00
&rst
ixpk= 0, nxpk= 0, iat= 190, 181, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 6 CYT H5 6 CYT H1' 5.50
&rst
ixpk= 0, nxpk= 0, iat= 181, 176, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 6 CYT H1' 6 CYT H6 3.50
&rst
ixpk= 0, nxpk= 0, iat= 176, 179, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 6 CYT H2' 6 CYT H6 3.00
&rst
ixpk= 0, nxpk= 0, iat= 192, 179, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 6 CYT H3' 6 CYT H6 4.00
&rst
ixpk= 0, nxpk= 0, iat= 190, 179, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 6 CYT H6 6 CYT Q5' 4.00
&rst
ixpk= 0, nxpk= 0, iat= 179, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2= 170, 171,
&end
#
# 6 CYT H1' 6 CYT H2' 3.00
&rst
ixpk= 0, nxpk= 0, iat= 176, 192, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 6 CYT H1' 6 CYT Q5' 5.00
&rst
ixpk= 0, nxpk= 0, iat= 176, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2= 170, 171,
&end
#
# 6 CYT H2' 6 CYT Q5' 3.00
&rst
ixpk= 0, nxpk= 0, iat= 192, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2= 170, 171,
&end
#
# 6 CYT Q5' 6 CYT H3' 3.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 190, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1= 170, 171,
&end
#
# 91 ARG HA 2 ADE H2 6.00
&rst
ixpk= 0, nxpk= 0, iat=1524, 55, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 91 ARG HB2 2 ADE H2 5.50
&rst
ixpk= 0, nxpk= 0, iat=1526, 55, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 91 ARG HB3 2 ADE H2 5.50
&rst
ixpk= 0, nxpk= 0, iat=1527, 55, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 91 ARG QG 2 ADE H2 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 55, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1529,1530,
&end
#
# 91 ARG HD2 2 ADE H2 4.00
&rst
ixpk= 0, nxpk= 0, iat=1532, 55, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 91 ARG HD3 2 ADE H2 4.00
&rst
ixpk= 0, nxpk= 0, iat=1533, 55, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 27 SER HA 2 ADE H2 5.00
&rst
ixpk= 0, nxpk= 0, iat= 492, 55, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 28 LEU QD1 2 ADE H2 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 55, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 510, 511, 512,
&end
#
# 28 LEU QD2 2 ADE H2 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 55, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 514, 515, 516,
&end
#
# 24 PHE QB 3 GUA H8 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 79, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 448, 449,
&end
#
# 24 PHE HD 3 GUA H8 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 79, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 452, 460,
&end
#
# 24 PHE HD 3 GUA H1 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 85, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 452, 460,
&end
#
# 62 PHE HD 3 GUA H5' 4.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 70, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1=1068,1076,
&end
#
# 62 PHE HE 3 GUA H5' 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 70, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1=1070,1074,
&end
#
# 64 PHE HD 3 GUA H1 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 85, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1=1098,1106,
&end
#
# 95 SER HA 3 GUA H1 4.00
&rst
ixpk= 0, nxpk= 0, iat=1596, 85, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 95 SER O 3 GUA H1 2.50
&rst
ixpk= 0, nxpk= 0, iat=1603, 85, r1= 1.30, r2= 1.80, r3= 2.50, r4= 3.00, &end
#
# 95 SER O 3 GUA N1 3.50
&rst
ixpk= 0, nxpk= 0, iat=1603, 84, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 12 ARG HB2 4 ADE H2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 282, 122, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 12 ARG HB3 4 ADE H2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 283, 122, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 12 ARG HG2 4 ADE H2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 285, 122, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 12 ARG HG3 4 ADE H2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 286, 122, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 12 ARG HD2 4 ADE H2 4.00
&rst
ixpk= 0, nxpk= 0, iat= 288, 122, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 12 ARG HD3 4 ADE H2 4.00
&rst
ixpk= 0, nxpk= 0, iat= 289, 122, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 60 ARG QD 4 ADE H2' 4.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 128, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1=1039,1040,
&end
#
# 60 ARG QD 4 ADE H3' 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 126, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1=1039,1040,
&end
#
# 62 PHE HZ 4 ADE H3' 6.00
&rst
ixpk= 0, nxpk= 0, iat=1072, 126, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 62 PHE HZ 4 ADE H3' 6.00
&rst
ixpk= 0, nxpk= 0, iat=1072, 126, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 62 PHE HE 4 ADE H1' 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 110, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1070,1074,
&end
#
# 62 PHE HD 4 ADE H8 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 113, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1068,1076,
&end
#
# 62 PHE HE 4 ADE H8 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 113, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1070,1074,
&end
#
# 64 PHE HE 4 ADE H8 4.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 113, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1=1100,1104,
&end
#
# 64 PHE HE 4 ADE H1' 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 110, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1=1100,1104,
&end
#
# 64 PHE HZ 4 ADE H8 4.50
&rst
ixpk= 0, nxpk= 0, iat=1102, 113, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 64 PHE HZ 4 ADE H1' 4.50
&rst
ixpk= 0, nxpk= 0, iat=1102, 110, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 95 SER QB 4 ADE H8 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 113, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1=1598,1599,
&end
#
# 96 ILE QD1 4 ADE H1' 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 110, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1618,1619,1620,
&end
#
# 96 ILE QD1 4 ADE H8 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 113, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1618,1619,1620,
&end
#
# 96 ILE QG2 4 ADE H1' 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 110, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1=1611,1612,1613,
&end
#
# 96 ILE QG2 4 ADE H8 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 113, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1611,1612,1613,
&end
#
# 96 ILE HB 4 ADE H8 6.00
&rst
ixpk= 0, nxpk= 0, iat=1609, 113, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 51 VAL QG1 4 ADE H1' 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 110, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 882, 883, 884,
&end
#
# 51 VAL QG1 4 ADE H8 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 113, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 882, 883, 884,
&end
#
# 97 THR QG2 4 ADE H1' 4.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 110, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr1=1630,1631,1632,
&end
#
# 97 THR QG2 4 ADE H2' 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 128, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1=1630,1631,1632,
&end
#
# 97 THR QG2 4 ADE H8 3.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 113, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1=1630,1631,1632,
&end
#
# 49 SER HA 5 ADE H2 6.00
&rst
ixpk= 0, nxpk= 0, iat= 848, 155, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 49 SER HB2 5 ADE H2 3.50
&rst
ixpk= 0, nxpk= 0, iat= 850, 155, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 49 SER HB3 5 ADE H2 3.50
&rst
ixpk= 0, nxpk= 0, iat= 851, 155, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 51 VAL QG1 5 ADE H1' 4.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 143, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr1= 882, 883, 884,
&end
#
# 51 VAL QG1 5 ADE H8 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 146, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 882, 883, 884,
&end
#
# 51 VAL QG2 5 ADE H1' 4.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 143, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr1= 886, 887, 888,
&end
#
# 51 VAL QG2 5 ADE H8 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 146, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 886, 887, 888,
&end
#
# 62 PHE HE 5 ADE H1' 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 143, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1070,1074,
&end
#
# 62 PHE HZ 5 ADE H1' 6.00
&rst
ixpk= 0, nxpk= 0, iat=1072, 143, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 62 PHE HE 5 ADE H8 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 146, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1070,1074,
&end
#
# 64 PHE HB2 5 ADE H2 5.00
&rst
ixpk= 0, nxpk= 0, iat=1094, 155, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 64 PHE HB3 5 ADE H2 5.00
&rst
ixpk= 0, nxpk= 0, iat=1095, 155, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 64 PHE HE 5 ADE H2 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 155, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1=1100,1104,
&end
#
# 66 TYR HD 5 ADE H2 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 155, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1134,1143,
&end
#
# 66 TYR HE 5 ADE H2 3.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 155, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1136,1141,
&end
#
# 97 THR QG2 5 ADE H8 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 146, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1=1630,1631,1632,
&end
#
# 99 ARG HA 5 ADE H2 6.00
&rst
ixpk= 0, nxpk= 0, iat=1662, 155, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 99 ARG QG 5 ADE H2 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 155, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1=1667,1668,
&end
#
# 99 ARG QB 5 ADE H2 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 155, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1664,1665,
&end
#
# 99 ARG QD 5 ADE H2 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 155, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1670,1671,
&end
#
# 100 PRO HA 5 ADE H1' 4.00
&rst
ixpk= 0, nxpk= 0, iat=1694, 143, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 100 PRO HB2 5 ADE H1' 5.00
&rst
ixpk= 0, nxpk= 0, iat=1691, 143, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 100 PRO HB3 5 ADE H1' 5.00
&rst
ixpk= 0, nxpk= 0, iat=1692, 143, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 100 PRO QG 5 ADE H2 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 155, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1688,1689,
&end
#
# 100 PRO QB 5 ADE H2 4.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 155, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1=1691,1692,
&end
#
# 100 PRO QD 5 ADE H2 4.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 155, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1=1685,1686,
&end
#
# 101 HIS QB 5 ADE H2' 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 161, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1=1702,1703,
&end
#
# 101 HIS QB 5 ADE H3' 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 159, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1=1702,1703,
&end
#
# 101 HIS HD2 5 ADE H2' 4.50
&rst
ixpk= 0, nxpk= 0, iat=1711, 161, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 101 HIS HD2 5 ADE H3' 4.50
&rst
ixpk= 0, nxpk= 0, iat=1711, 159, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 101 HIS QB 6 CYT H1' 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 176, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1702,1703,
&end
#
# 101 HIS QB 6 CYT H2' 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 192, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1702,1703,
&end
#
# 101 HIS QB 6 CYT H3' 4.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 190, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1=1702,1703,
&end
#
# 101 HIS QB 6 CYT Q5' 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1702,1703,
igr2= 170, 171,
&end
#
# 101 HIS QB 6 CYT H6 4.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 179, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1=1702,1703,
&end
#
# 101 HIS QB 6 CYT H5 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 181, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1=1702,1703,
&end
#
# 101 HIS HD2 6 CYT H1' 5.50
&rst
ixpk= 0, nxpk= 0, iat=1711, 176, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 66 TYR HE 99 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=1136,1141,
igr2=1667,1668,
&end
#
# 66 TYR HE 99 ARG HB2 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1664, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1136,1141,
&end
#
# 66 TYR HE 99 ARG HB3 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1665, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1136,1141,
&end
#
# 66 TYR HE 64 PHE HB2 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1094, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1136,1141,
&end
#
# 66 TYR HE 64 PHE HB3 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1095, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1136,1141,
&end
#
# 66 TYR HE 47 ASP HB2 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 822, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1136,1141,
&end
#
# 66 TYR HE 47 ASP HB3 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 823, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1136,1141,
&end
#
# 66 TYR HE 20 CYS HB2 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 395, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1136,1141,
&end
#
# 66 TYR HE 20 CYS HB3 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 396, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1136,1141,
&end
#
# 66 TYR HE 49 SER HB2 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 850, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1136,1141,
&end
#
# 66 TYR HE 49 SER HB3 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 851, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1136,1141,
&end
#
# 66 TYR HE 49 SER HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 848, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1136,1141,
&end
#
# 66 TYR HD 20 CYS HB3 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 396, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1134,1143,
&end
#
# 66 TYR HD 20 CYS HB2 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 395, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1134,1143,
&end
#
# 66 TYR HD 47 ASP HB2 4.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 822, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1=1134,1143,
&end
#
# 66 TYR HD 47 ASP HB3 4.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 823, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1=1134,1143,
&end
#
# 66 TYR HE 49 SER HB2 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 850, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1136,1141,
&end
#
# 66 TYR HE 49 SER HB3 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 851, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1136,1141,
&end
#
# 66 TYR HE 49 SER HA 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 848, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1136,1141,
&end
#
# 11 ASN H 96 ILE QD1 6.00
&rst
ixpk= 0, nxpk= 0, iat= 264, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2=1618,1619,1620,
&end
#
# 11 ASN H 96 ILE QG2 5.00
&rst
ixpk= 0, nxpk= 0, iat= 264, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr2=1611,1612,1613,
&end
#
# 12 ARG H 96 ILE QD1 5.00
&rst
ixpk= 0, nxpk= 0, iat= 278, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr2=1618,1619,1620,
&end
#
# 12 ARG H 96 ILE QG2 5.00
&rst
ixpk= 0, nxpk= 0, iat= 278, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr2=1611,1612,1613,
&end
#
# 14 ASN H 96 ILE QG2 6.00
&rst
ixpk= 0, nxpk= 0, iat= 312, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2=1611,1612,1613,
&end
#
# 94 PHE HE 21 LEU QD1 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1=1584,1588,
igr2= 411, 412, 413,
&end
#
# 94 PHE HE 21 LEU QD2 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1=1584,1588,
igr2= 415, 416, 417,
&end
#
# 94 PHE HD 21 LEU QD1 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1=1582,1590,
igr2= 411, 412, 413,
&end
#
# 94 PHE HD 21 LEU QD2 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1=1582,1590,
igr2= 415, 416, 417,
&end
#
# 94 PHE H 77 LYS QD 5.00
&rst
ixpk= 0, nxpk= 0, iat=1574, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2=1303,1304,
&end
#
# 94 PHE H 77 LYS HG2 5.00
&rst
ixpk= 0, nxpk= 0, iat=1574,1300, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 94 PHE H 77 LYS HG3 5.00
&rst
ixpk= 0, nxpk= 0, iat=1574,1301, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 24 PHE HE 62 PHE HD 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1= 454, 458,
igr2=1068,1076,
&end
#
# 24 PHE HD 62 PHE HD 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 452, 460,
igr2=1068,1076,
&end
#
# 24 PHE HD 62 PHE HA 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1062, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 452, 460,
&end
#
# 24 PHE HD 95 SER HA 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1596, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 452, 460,
&end
#
# 24 PHE HD 95 SER HB2 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1598, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 452, 460,
&end
#
# 24 PHE HD 95 SER HB3 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1599, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 452, 460,
&end
#
# 24 PHE HE 95 SER HB2 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1598, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 454, 458,
&end
#
# 24 PHE HE 95 SER HB3 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1599, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 454, 458,
&end
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