NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type | subtype | subsubtype |
|
|
564125 |
2m8d   |
19248 | cing | 1-original | 1 | AMBER | distance | NOE | simple |
#
# 83 PHE H 93 ILE H 4.44
&rst
ixpk= 0, nxpk= 0, iat=1422,1577, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
rk2=50, rk3=50, ir6=1, ialtd=0,
&end
#
# 83 PHE H 91 ALA HA 5.44
&rst
ixpk= 0, nxpk= 0, iat=1422,1548, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94, &end
#
# 82 LYS H 83 PHE H 4.53
&rst
ixpk= 0, nxpk= 0, iat=1400,1422, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03, &end
#
# 82 LYS HG2 83 PHE H 5.03
&rst
ixpk= 0, nxpk= 0, iat=1407,1422, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53, &end
#
# 82 LYS HG3 83 PHE H 5.02
&rst
ixpk= 0, nxpk= 0, iat=1408,1422, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52, &end
#
# 83 PHE H 92 TYR HA 4.76
&rst
ixpk= 0, nxpk= 0, iat=1422,1558, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26, &end
#
# 83 PHE HA 84 ARG H 3.42
&rst
ixpk= 0, nxpk= 0, iat=1424,1442, r1= 1.30, r2= 1.80, r3= 3.42, r4= 3.92, &end
#
# 84 ARG H 84 ARG QD 4.69
&rst
ixpk= 0, nxpk= 0, iat=1442, -1, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76,
igr2=1452,1453,
&end
#
# 83 PHE HB2 84 ARG H 4.58
&rst
ixpk= 0, nxpk= 0, iat=1426,1442, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08, &end
#
# 83 PHE HB3 84 ARG H 4.55
&rst
ixpk= 0, nxpk= 0, iat=1427,1442, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05, &end
#
# 84 ARG H 84 ARG HB2 3.82
&rst
ixpk= 0, nxpk= 0, iat=1442,1446, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32, &end
#
# 84 ARG H 90 THR HA 4.96
&rst
ixpk= 0, nxpk= 0, iat=1442,1534, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46, &end
#
# 84 ARG H 84 ARG HB3 4.15
&rst
ixpk= 0, nxpk= 0, iat=1442,1447, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65, &end
#
# 83 PHE H 84 ARG H 5.13
&rst
ixpk= 0, nxpk= 0, iat=1422,1442, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63, &end
#
# 45 ARG HA 50 VAL H 5.50
&rst
ixpk= 0, nxpk= 0, iat= 824, 890, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 67 ARG HD2 68 LYS H 5.19
&rst
ixpk= 0, nxpk= 0, iat=1154,1168, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69, &end
#
# 67 ARG H 68 LYS H 5.38
&rst
ixpk= 0, nxpk= 0, iat=1144,1168, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88, &end
#
# 68 LYS H 68 LYS QG 4.80
&rst
ixpk= 0, nxpk= 0, iat=1168, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr2=1175,1176,
&end
#
# 27 VAL H 98 ASP H 4.19
&rst
ixpk= 0, nxpk= 0, iat= 556,1674, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69, &end
#
# 97 VAL H 98 ASP H 4.82
&rst
ixpk= 0, nxpk= 0, iat=1658,1674, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32, &end
#
# 26 VAL HA 98 ASP H 3.96
&rst
ixpk= 0, nxpk= 0, iat= 542,1674, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46, &end
#
# 97 VAL HA 98 ASP H 3.48
&rst
ixpk= 0, nxpk= 0, iat=1660,1674, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98, &end
#
# 98 ASP H 98 ASP HB2 4.01
&rst
ixpk= 0, nxpk= 0, iat=1674,1678, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51, &end
#
# 27 VAL HB 28 VAL H 4.47
&rst
ixpk= 0, nxpk= 0, iat= 560, 572, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97, &end
#
# 26 VAL H 64 GLU H 5.50
&rst
ixpk= 0, nxpk= 0, iat= 540,1093, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 53 ALA HA 64 GLU H 5.37
&rst
ixpk= 0, nxpk= 0, iat= 940,1093, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87, &end
#
# 63 VAL QG1 64 GLU H 5.25
&rst
ixpk= 0, nxpk= 0, iat= -1,1093, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1=1083,1084,1085,
&end
#
# 63 VAL QG2 64 GLU H 4.58
&rst
ixpk= 0, nxpk= 0, iat= -1,1093, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
igr1=1087,1088,1089,
&end
#
# 51 CYS H 66 VAL H 5.28
&rst
ixpk= 0, nxpk= 0, iat= 906,1128, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78, &end
#
# 51 CYS HB3 66 VAL H 5.01
&rst
ixpk= 0, nxpk= 0, iat= 911,1128, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51, &end
#
# 50 VAL HA 66 VAL H 4.45
&rst
ixpk= 0, nxpk= 0, iat= 892,1128, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95, &end
#
# 38 GLN H 55 VAL QG2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 706, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 970, 971, 972,
&end
#
# 38 GLN H 38 GLN HG3 5.50
&rst
ixpk= 0, nxpk= 0, iat= 706, 714, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 36 SER HA 38 GLN H 4.89
&rst
ixpk= 0, nxpk= 0, iat= 673, 706, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39, &end
#
# 56 TYR H 56 TYR QE 5.31
&rst
ixpk= 0, nxpk= 0, iat= 976, -1, r1= 1.30, r2= 1.80, r3= 5.96, r4= 6.46,
igr2= 986, 991,
&end
#
# 56 TYR H 61 GLY HA3 4.78
&rst
ixpk= 0, nxpk= 0, iat= 976,1057, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28, &end
#
# 56 TYR H 62 VAL H 4.98
&rst
ixpk= 0, nxpk= 0, iat= 976,1061, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48, &end
#
# 24 ASN HA 25 ARG H 3.49
&rst
ixpk= 0, nxpk= 0, iat= 504, 516, r1= 1.30, r2= 1.80, r3= 3.49, r4= 3.99, &end
#
# 22 SER HB3 25 ARG H 5.27
&rst
ixpk= 0, nxpk= 0, iat= 481, 516, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77, &end
#
# 24 ASN HB3 25 ARG H 4.69
&rst
ixpk= 0, nxpk= 0, iat= 507, 516, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19, &end
#
# 25 ARG H 71 MET QE 4.84
&rst
ixpk= 0, nxpk= 0, iat= 516, -1, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31,
igr2=1228,1229,1230,
&end
#
# 25 ARG H 25 ARG HB2 4.14
&rst
ixpk= 0, nxpk= 0, iat= 516, 520, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64, &end
#
# 24 ASN H 25 ARG H 4.57
&rst
ixpk= 0, nxpk= 0, iat= 502, 516, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07, &end
#
# 23 GLU HA 25 ARG H 5.15
&rst
ixpk= 0, nxpk= 0, iat= 489, 516, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65, &end
#
# 80 ASN H 94 ARG H 5.22
&rst
ixpk= 0, nxpk= 0, iat=1372,1596, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72, &end
#
# 80 ASN H 93 ILE QG2 5.50
&rst
ixpk= 0, nxpk= 0, iat=1372, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1583,1584,1585,
&end
#
# 24 ASN HB2 25 ARG H 5.12
&rst
ixpk= 0, nxpk= 0, iat= 506, 516, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62, &end
#
# 25 ARG H 25 ARG QD 5.23
&rst
ixpk= 0, nxpk= 0, iat= 516, -1, r1= 1.30, r2= 1.80, r3= 5.87, r4= 6.37,
igr2= 526, 527,
&end
#
# 80 ASN H 95 VAL H 4.89
&rst
ixpk= 0, nxpk= 0, iat=1372,1620, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39, &end
#
# 80 ASN H 94 ARG HA 4.45
&rst
ixpk= 0, nxpk= 0, iat=1372,1598, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95, &end
#
# 80 ASN H 94 ARG HG3 5.50
&rst
ixpk= 0, nxpk= 0, iat=1372,1604, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 80 ASN H 93 ILE QD1 5.50
&rst
ixpk= 0, nxpk= 0, iat=1372, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1590,1591,1592,
&end
#
# 80 ASN H 80 ASN HB2 4.17
&rst
ixpk= 0, nxpk= 0, iat=1372,1376, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67, &end
#
# 80 ASN H 95 VAL QG2 4.47
&rst
ixpk= 0, nxpk= 0, iat=1372, -1, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,
igr2=1630,1631,1632,
&end
#
# 80 ASN H 81 THR QG2 5.50
&rst
ixpk= 0, nxpk= 0, iat=1372, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1392,1393,1394,
&end
#
# 83 PHE H 91 ALA H 4.27
&rst
ixpk= 0, nxpk= 0, iat=1422,1546, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77, &end
#
# 96 LYS H 97 VAL H 4.69
&rst
ixpk= 0, nxpk= 0, iat=1636,1658, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19, &end
#
# 95 VAL HA 96 LYS H 3.35
&rst
ixpk= 0, nxpk= 0, iat=1622,1636, r1= 1.30, r2= 1.80, r3= 3.35, r4= 3.85, &end
#
# 29 SER H 96 LYS H 3.97
&rst
ixpk= 0, nxpk= 0, iat= 588,1636, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47, &end
#
# 84 ARG H 91 ALA H 5.31
&rst
ixpk= 0, nxpk= 0, iat=1442,1546, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81, &end
#
# 90 THR HA 91 ALA H 3.43
&rst
ixpk= 0, nxpk= 0, iat=1534,1546, r1= 1.30, r2= 1.80, r3= 3.43, r4= 3.93, &end
#
# 91 ALA H 91 ALA QB 3.99
&rst
ixpk= 0, nxpk= 0, iat=1546, -1, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,
igr2=1550,1551,1552,
&end
#
# 91 ALA H 93 ILE QG2 5.50
&rst
ixpk= 0, nxpk= 0, iat=1546, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1583,1584,1585,
&end
#
# 36 SER H 39 ASP HB3 4.91
&rst
ixpk= 0, nxpk= 0, iat= 671, 728, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41, &end
#
# 36 SER H 55 VAL QG2 5.23
&rst
ixpk= 0, nxpk= 0, iat= 671, -1, r1= 1.30, r2= 1.80, r3= 6.28, r4= 6.78,
igr2= 970, 971, 972,
&end
#
# 73 TYR H 74 ALA H 3.78
&rst
ixpk= 0, nxpk= 0, iat=1248,1269, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28, &end
#
# 71 MET HB2 73 TYR H 5.04
&rst
ixpk= 0, nxpk= 0, iat=1221,1248, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54, &end
#
# 73 TYR H 74 ALA QB 4.94
&rst
ixpk= 0, nxpk= 0, iat=1248, -1, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43,
igr2=1273,1274,1275,
&end
#
# 40 LEU QD1 41 LYS H 4.65
&rst
ixpk= 0, nxpk= 0, iat= -1, 754, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08,
igr1= 744, 745, 746,
&end
#
# 35 GLY H 36 SER H 4.72
&rst
ixpk= 0, nxpk= 0, iat= 664, 671, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, &end
#
# 71 MET H 73 TYR H 4.82
&rst
ixpk= 0, nxpk= 0, iat=1217,1248, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32, &end
#
# 47 ALA QB 73 TYR H 5.30
&rst
ixpk= 0, nxpk= 0, iat= -1,1248, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 865, 866, 867,
&end
#
# 73 TYR H 73 TYR QD 4.16
&rst
ixpk= 0, nxpk= 0, iat=1248, -1, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,
igr2=1256,1265,
&end
#
# 73 TYR H 73 TYR HB2 3.46
&rst
ixpk= 0, nxpk= 0, iat=1248,1252, r1= 1.30, r2= 1.80, r3= 3.46, r4= 3.96, &end
#
# 37 TRP HE3 41 LYS H 5.41
&rst
ixpk= 0, nxpk= 0, iat= 701, 754, r1= 1.30, r2= 1.80, r3= 5.41, r4= 5.91, &end
#
# 39 ASP HA 41 LYS H 5.15
&rst
ixpk= 0, nxpk= 0, iat= 725, 754, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65, &end
#
# 41 LYS H 41 LYS HB2 3.96
&rst
ixpk= 0, nxpk= 0, iat= 754, 758, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46, &end
#
# 41 LYS H 41 LYS HB3 3.93
&rst
ixpk= 0, nxpk= 0, iat= 754, 759, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, &end
#
# 69 GLU HA 73 TYR H 5.30
&rst
ixpk= 0, nxpk= 0, iat=1192,1248, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, &end
#
# 50 VAL H 51 CYS H 4.49
&rst
ixpk= 0, nxpk= 0, iat= 890, 906, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99, &end
#
# 51 CYS H 52 TYR HB3 4.76
&rst
ixpk= 0, nxpk= 0, iat= 906, 922, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26, &end
#
# 40 LEU H 41 LYS H 4.27
&rst
ixpk= 0, nxpk= 0, iat= 735, 754, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77, &end
#
# 39 ASP HB2 40 LEU H 4.72
&rst
ixpk= 0, nxpk= 0, iat= 727, 735, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, &end
#
# 39 ASP HB3 40 LEU H 5.08
&rst
ixpk= 0, nxpk= 0, iat= 728, 735, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58, &end
#
# 40 LEU H 40 LEU HB2 4.14
&rst
ixpk= 0, nxpk= 0, iat= 735, 739, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64, &end
#
# 40 LEU H 53 ALA QB 4.90
&rst
ixpk= 0, nxpk= 0, iat= 735, -1, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
igr2= 942, 943, 944,
&end
#
# 40 LEU H 40 LEU QD1 4.30
&rst
ixpk= 0, nxpk= 0, iat= 735, -1, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
igr2= 744, 745, 746,
&end
#
# 40 LEU H 40 LEU HG 4.75
&rst
ixpk= 0, nxpk= 0, iat= 735, 742, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25, &end
#
# 40 LEU H 83 PHE HZ 5.43
&rst
ixpk= 0, nxpk= 0, iat= 735,1434, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93, &end
#
# 40 LEU H 41 LYS HB2 5.04
&rst
ixpk= 0, nxpk= 0, iat= 735, 758, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54, &end
#
# 37 TRP HA 40 LEU H 4.56
&rst
ixpk= 0, nxpk= 0, iat= 684, 735, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06, &end
#
# 93 ILE H 95 VAL H 5.34
&rst
ixpk= 0, nxpk= 0, iat=1577,1620, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84, &end
#
# 79 ASP H 95 VAL H 4.88
&rst
ixpk= 0, nxpk= 0, iat=1360,1620, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38, &end
#
# 79 ASP HB2 95 VAL H 4.44
&rst
ixpk= 0, nxpk= 0, iat=1364,1620, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94, &end
#
# 94 ARG H 95 VAL H 5.25
&rst
ixpk= 0, nxpk= 0, iat=1596,1620, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75, &end
#
# 79 ASP HA 95 VAL H 4.67
&rst
ixpk= 0, nxpk= 0, iat=1362,1620, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17, &end
#
# 75 VAL HA 95 VAL H 5.30
&rst
ixpk= 0, nxpk= 0, iat=1281,1620, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, &end
#
# 95 VAL H 95 VAL HB 3.79
&rst
ixpk= 0, nxpk= 0, iat=1620,1624, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29, &end
#
# 27 VAL HA 63 VAL H 4.34
&rst
ixpk= 0, nxpk= 0, iat= 558,1077, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84, &end
#
# 26 VAL H 63 VAL H 4.81
&rst
ixpk= 0, nxpk= 0, iat= 540,1077, r1= 1.30, r2= 1.80, r3= 4.81, r4= 5.31, &end
#
# 62 VAL QG1 63 VAL H 3.80
&rst
ixpk= 0, nxpk= 0, iat= -1,1077, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06,
igr1=1067,1068,1069,
&end
#
# 54 ASP H 62 VAL H 4.58
&rst
ixpk= 0, nxpk= 0, iat= 948,1061, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08, &end
#
# 54 ASP H 63 VAL HA 4.62
&rst
ixpk= 0, nxpk= 0, iat= 948,1079, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12, &end
#
# 54 ASP H 55 VAL HA 5.42
&rst
ixpk= 0, nxpk= 0, iat= 948, 962, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92, &end
#
# 54 ASP H 54 ASP QB 4.19
&rst
ixpk= 0, nxpk= 0, iat= 948, -1, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,
igr2= 952, 953,
&end
#
# 53 ALA H 54 ASP H 4.68
&rst
ixpk= 0, nxpk= 0, iat= 938, 948, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18, &end
#
# 54 ASP H 63 VAL QG1 5.50
&rst
ixpk= 0, nxpk= 0, iat= 948, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1083,1084,1085,
&end
#
# 20 ARG H 20 ARG QG 4.26
&rst
ixpk= 0, nxpk= 0, iat= 428, -1, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28,
igr2= 435, 436,
&end
#
# 52 TYR H 64 GLU H 4.81
&rst
ixpk= 0, nxpk= 0, iat= 917,1093, r1= 1.30, r2= 1.80, r3= 4.81, r4= 5.31, &end
#
# 51 CYS H 52 TYR H 4.15
&rst
ixpk= 0, nxpk= 0, iat= 906, 917, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65, &end
#
# 20 ARG H 20 ARG QD 5.23
&rst
ixpk= 0, nxpk= 0, iat= 428, -1, r1= 1.30, r2= 1.80, r3= 5.87, r4= 6.37,
igr2= 438, 439,
&end
#
# 52 TYR H 64 GLU QG 5.14
&rst
ixpk= 0, nxpk= 0, iat= 917, -1, r1= 1.30, r2= 1.80, r3= 5.77, r4= 6.27,
igr2=1100,1101,
&end
#
# 50 VAL HA 52 TYR H 4.84
&rst
ixpk= 0, nxpk= 0, iat= 892, 917, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34, &end
#
# 19 SER HA 20 ARG H 3.56
&rst
ixpk= 0, nxpk= 0, iat= 419, 428, r1= 1.30, r2= 1.80, r3= 3.56, r4= 4.06, &end
#
# 64 GLU HB3 65 PHE H 5.44
&rst
ixpk= 0, nxpk= 0, iat=1098,1108, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94, &end
#
# 65 PHE H 71 MET HB3 5.10
&rst
ixpk= 0, nxpk= 0, iat=1108,1222, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60, &end
#
# 64 GLU QG 65 PHE H 4.87
&rst
ixpk= 0, nxpk= 0, iat= -1,1108, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
igr1=1100,1101,
&end
#
# 96 LYS HA 97 VAL H 3.33
&rst
ixpk= 0, nxpk= 0, iat=1638,1658, r1= 1.30, r2= 1.80, r3= 3.33, r4= 3.83, &end
#
# 23 GLU HB2 24 ASN H 4.78
&rst
ixpk= 0, nxpk= 0, iat= 491, 502, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28, &end
#
# 24 ASN H 24 ASN HD21 5.20
&rst
ixpk= 0, nxpk= 0, iat= 502, 512, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70, &end
#
# 24 ASN H 25 ARG HB2 4.82
&rst
ixpk= 0, nxpk= 0, iat= 502, 520, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32, &end
#
# 27 VAL H 96 LYS H 4.11
&rst
ixpk= 0, nxpk= 0, iat= 556,1636, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61, &end
#
# 27 VAL H 97 VAL H 5.20
&rst
ixpk= 0, nxpk= 0, iat= 556,1658, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70, &end
#
# 83 PHE H 92 TYR H 5.39
&rst
ixpk= 0, nxpk= 0, iat=1422,1556, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89, &end
#
# 74 ALA H 74 ALA QB 3.57
&rst
ixpk= 0, nxpk= 0, iat=1269, -1, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79,
igr2=1273,1274,1275,
&end
#
# 72 THR QG2 74 ALA H 5.36
&rst
ixpk= 0, nxpk= 0, iat= -1,1269, r1= 1.30, r2= 1.80, r3= 6.44, r4= 6.94,
igr1=1240,1241,1242,
&end
#
# 26 VAL HA 27 VAL H 3.54
&rst
ixpk= 0, nxpk= 0, iat= 542, 556, r1= 1.30, r2= 1.80, r3= 3.54, r4= 4.04, &end
#
# 27 VAL H 98 ASP HA 4.41
&rst
ixpk= 0, nxpk= 0, iat= 556,1676, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91, &end
#
# 26 VAL QG1 27 VAL H 3.77
&rst
ixpk= 0, nxpk= 0, iat= -1, 556, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
igr1= 546, 547, 548,
&end
#
# 91 ALA H 92 TYR H 4.24
&rst
ixpk= 0, nxpk= 0, iat=1546,1556, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74, &end
#
# 91 ALA HA 92 TYR H 3.28
&rst
ixpk= 0, nxpk= 0, iat=1548,1556, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78, &end
#
# 92 TYR H 92 TYR HB2 3.45
&rst
ixpk= 0, nxpk= 0, iat=1556,1560, r1= 1.30, r2= 1.80, r3= 3.45, r4= 3.95, &end
#
# 82 LYS H 92 TYR HA 5.33
&rst
ixpk= 0, nxpk= 0, iat=1400,1558, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83, &end
#
# 82 LYS H 82 LYS QE 4.99
&rst
ixpk= 0, nxpk= 0, iat=1400, -1, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,
igr2=1413,1414,
&end
#
# 82 LYS H 82 LYS HB2 3.78
&rst
ixpk= 0, nxpk= 0, iat=1400,1404, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28, &end
#
# 82 LYS H 82 LYS QD 4.41
&rst
ixpk= 0, nxpk= 0, iat=1400, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr2=1410,1411,
&end
#
# 82 LYS H 82 LYS HB3 3.87
&rst
ixpk= 0, nxpk= 0, iat=1400,1405, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37, &end
#
# 82 LYS H 82 LYS HG2 4.38
&rst
ixpk= 0, nxpk= 0, iat=1400,1407, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88, &end
#
# 77 LYS HA 79 ASP H 5.14
&rst
ixpk= 0, nxpk= 0, iat=1321,1360, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64, &end
#
# 79 ASP H 79 ASP HB3 3.67
&rst
ixpk= 0, nxpk= 0, iat=1360,1365, r1= 1.30, r2= 1.80, r3= 3.67, r4= 4.17, &end
#
# 78 LEU HB2 79 ASP H 5.02
&rst
ixpk= 0, nxpk= 0, iat=1345,1360, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52, &end
#
# 78 LEU HB3 79 ASP H 4.82
&rst
ixpk= 0, nxpk= 0, iat=1346,1360, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32, &end
#
# 77 LYS HB3 79 ASP H 5.08
&rst
ixpk= 0, nxpk= 0, iat=1324,1360, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58, &end
#
# 78 LEU QD2 79 ASP H 4.80
&rst
ixpk= 0, nxpk= 0, iat= -1,1360, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26,
igr1=1354,1355,1356,
&end
#
# 79 ASP H 80 ASN H 4.68
&rst
ixpk= 0, nxpk= 0, iat=1360,1372, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18, &end
#
# 78 LEU H 79 ASP H 3.75
&rst
ixpk= 0, nxpk= 0, iat=1341,1360, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25, &end
#
# 79 ASP H 79 ASP HB2 3.70
&rst
ixpk= 0, nxpk= 0, iat=1360,1364, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20, &end
#
# 70 ASP H 73 TYR H 5.03
&rst
ixpk= 0, nxpk= 0, iat=1205,1248, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53, &end
#
# 68 LYS HA 70 ASP H 4.59
&rst
ixpk= 0, nxpk= 0, iat=1170,1205, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09, &end
#
# 45 ARG H 45 ARG HB3 3.40
&rst
ixpk= 0, nxpk= 0, iat= 822, 827, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90, &end
#
# 68 LYS HA 71 MET H 4.10
&rst
ixpk= 0, nxpk= 0, iat=1170,1217, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60, &end
#
# 71 MET H 71 MET HB3 4.16
&rst
ixpk= 0, nxpk= 0, iat=1217,1222, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66, &end
#
# 37 TRP H 37 TRP HE1 5.38
&rst
ixpk= 0, nxpk= 0, iat= 682, 692, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88, &end
#
# 37 TRP H 38 GLN H 4.50
&rst
ixpk= 0, nxpk= 0, iat= 682, 706, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 36 SER HB2 37 TRP H 4.20
&rst
ixpk= 0, nxpk= 0, iat= 675, 682, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 45 ARG H 45 ARG HB2 3.25
&rst
ixpk= 0, nxpk= 0, iat= 822, 826, r1= 1.30, r2= 1.80, r3= 3.25, r4= 3.75, &end
#
# 45 ARG H 50 VAL QG1 4.26
&rst
ixpk= 0, nxpk= 0, iat= 822, -1, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
igr2= 896, 897, 898,
&end
#
# 26 VAL QG2 71 MET H 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1217, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 550, 551, 552,
&end
#
# 70 ASP H 71 MET H 4.03
&rst
ixpk= 0, nxpk= 0, iat=1205,1217, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53, &end
#
# 71 MET H 71 MET HB2 3.99
&rst
ixpk= 0, nxpk= 0, iat=1217,1221, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49, &end
#
# 71 MET H 74 ALA H 5.39
&rst
ixpk= 0, nxpk= 0, iat=1217,1269, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89, &end
#
# 26 VAL QG1 71 MET H 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1217, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 546, 547, 548,
&end
#
# 37 TRP H 53 ALA QB 5.50
&rst
ixpk= 0, nxpk= 0, iat= 682, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 942, 943, 944,
&end
#
# 43 HIS H 44 MET H 3.59
&rst
ixpk= 0, nxpk= 0, iat= 788, 805, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09, &end
#
# 41 LYS H 43 HIS H 4.96
&rst
ixpk= 0, nxpk= 0, iat= 754, 788, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46, &end
#
# 43 HIS H 43 HIS HB2 3.59
&rst
ixpk= 0, nxpk= 0, iat= 788, 792, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09, &end
#
# 42 ASP HB2 43 HIS H 4.48
&rst
ixpk= 0, nxpk= 0, iat= 780, 788, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98, &end
#
# 42 ASP HB3 43 HIS H 4.17
&rst
ixpk= 0, nxpk= 0, iat= 781, 788, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67, &end
#
# 40 LEU QD1 43 HIS H 4.49
&rst
ixpk= 0, nxpk= 0, iat= -1, 788, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1= 744, 745, 746,
&end
#
# 45 ARG H 50 VAL H 4.74
&rst
ixpk= 0, nxpk= 0, iat= 822, 890, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24, &end
#
# 31 LEU H 31 LEU QD2 4.09
&rst
ixpk= 0, nxpk= 0, iat= 606, -1, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,
igr2= 619, 620, 621,
&end
#
# 30 GLY H 31 LEU H 3.84
&rst
ixpk= 0, nxpk= 0, iat= 599, 606, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34, &end
#
# 31 LEU H 31 LEU HB3 3.87
&rst
ixpk= 0, nxpk= 0, iat= 606, 611, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37, &end
#
# 43 HIS H 83 PHE QD 5.42
&rst
ixpk= 0, nxpk= 0, iat= 788, -1, r1= 1.30, r2= 1.80, r3= 6.08, r4= 6.58,
igr2=1430,1438,
&end
#
# 29 SER HA 31 LEU H 4.52
&rst
ixpk= 0, nxpk= 0, iat= 590, 606, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02, &end
#
# 25 ARG QD 26 VAL H 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 540, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 526, 527,
&end
#
# 25 ARG H 26 VAL H 4.79
&rst
ixpk= 0, nxpk= 0, iat= 516, 540, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29, &end
#
# 88 GLY H 89 GLU H 3.86
&rst
ixpk= 0, nxpk= 0, iat=1510,1517, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36, &end
#
# 89 GLU H 89 GLU HG2 4.24
&rst
ixpk= 0, nxpk= 0, iat=1517,1524, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74, &end
#
# 69 GLU H 71 MET H 5.41
&rst
ixpk= 0, nxpk= 0, iat=1190,1217, r1= 1.30, r2= 1.80, r3= 5.41, r4= 5.91, &end
#
# 68 LYS H 69 GLU H 4.66
&rst
ixpk= 0, nxpk= 0, iat=1168,1190, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16, &end
#
# 69 GLU H 70 ASP H 4.43
&rst
ixpk= 0, nxpk= 0, iat=1190,1205, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93, &end
#
# 69 GLU H 70 ASP HA 5.37
&rst
ixpk= 0, nxpk= 0, iat=1190,1207, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87, &end
#
# 69 GLU H 69 GLU HG3 4.57
&rst
ixpk= 0, nxpk= 0, iat=1190,1198, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07, &end
#
# 69 GLU H 69 GLU HB3 3.86
&rst
ixpk= 0, nxpk= 0, iat=1190,1195, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36, &end
#
# 68 LYS QG 69 GLU H 4.81
&rst
ixpk= 0, nxpk= 0, iat= -1,1190, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1=1175,1176,
&end
#
# 69 GLU H 69 GLU HG2 4.63
&rst
ixpk= 0, nxpk= 0, iat=1190,1197, r1= 1.30, r2= 1.80, r3= 4.63, r4= 5.13, &end
#
# 36 SER H 39 ASP H 4.90
&rst
ixpk= 0, nxpk= 0, iat= 671, 723, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40, &end
#
# 39 ASP H 40 LEU H 4.59
&rst
ixpk= 0, nxpk= 0, iat= 723, 735, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09, &end
#
# 38 GLN H 39 ASP H 4.70
&rst
ixpk= 0, nxpk= 0, iat= 706, 723, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, &end
#
# 45 ARG QD 46 GLU H 5.18
&rst
ixpk= 0, nxpk= 0, iat= -1, 846, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31,
igr1= 832, 833,
&end
#
# 29 SER H 95 VAL HA 4.65
&rst
ixpk= 0, nxpk= 0, iat= 588,1622, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15, &end
#
# 28 VAL QG2 29 SER H 3.64
&rst
ixpk= 0, nxpk= 0, iat= -1, 588, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87,
igr1= 582, 583, 584,
&end
#
# 29 SER H 31 LEU QD2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 588, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 619, 620, 621,
&end
#
# 29 SER H 93 ILE HA 5.19
&rst
ixpk= 0, nxpk= 0, iat= 588,1579, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69, &end
#
# 29 SER H 94 ARG QB 4.10
&rst
ixpk= 0, nxpk= 0, iat= 588, -1, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
igr2=1600,1601,
&end
#
# 44 MET HA 46 GLU H 4.29
&rst
ixpk= 0, nxpk= 0, iat= 807, 846, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79, &end
#
# 46 GLU H 47 ALA H 3.53
&rst
ixpk= 0, nxpk= 0, iat= 846, 861, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03, &end
#
# 45 ARG H 46 GLU H 3.79
&rst
ixpk= 0, nxpk= 0, iat= 822, 846, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29, &end
#
# 46 GLU H 65 PHE QE 5.39
&rst
ixpk= 0, nxpk= 0, iat= 846, -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
igr2=1118,1122,
&end
#
# 46 GLU H 47 ALA HA 5.27
&rst
ixpk= 0, nxpk= 0, iat= 846, 863, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77, &end
#
# 46 GLU H 46 GLU HB2 3.23
&rst
ixpk= 0, nxpk= 0, iat= 846, 850, r1= 1.30, r2= 1.80, r3= 3.23, r4= 3.73, &end
#
# 46 GLU H 46 GLU HB3 3.29
&rst
ixpk= 0, nxpk= 0, iat= 846, 851, r1= 1.30, r2= 1.80, r3= 3.29, r4= 3.79, &end
#
# 46 GLU H 47 ALA QB 4.57
&rst
ixpk= 0, nxpk= 0, iat= 846, -1, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99,
igr2= 865, 866, 867,
&end
#
# 46 GLU H 50 VAL QG1 5.34
&rst
ixpk= 0, nxpk= 0, iat= 846, -1, r1= 1.30, r2= 1.80, r3= 6.41, r4= 6.91,
igr2= 896, 897, 898,
&end
#
# 28 VAL HB 29 SER H 4.35
&rst
ixpk= 0, nxpk= 0, iat= 576, 588, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85, &end
#
# 29 SER H 60 THR QG2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 588, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1046,1047,1048,
&end
#
# 27 VAL HB 29 SER H 5.22
&rst
ixpk= 0, nxpk= 0, iat= 560, 588, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72, &end
#
# 27 VAL QG1 29 SER H 4.74
&rst
ixpk= 0, nxpk= 0, iat= -1, 588, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
igr1= 562, 563, 564,
&end
#
# 29 SER H 31 LEU QD1 5.50
&rst
ixpk= 0, nxpk= 0, iat= 588, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 615, 616, 617,
&end
#
# 45 ARG HA 47 ALA H 4.34
&rst
ixpk= 0, nxpk= 0, iat= 824, 861, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84, &end
#
# 47 ALA H 48 GLY HA2 5.15
&rst
ixpk= 0, nxpk= 0, iat= 861, 873, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65, &end
#
# 46 GLU HG3 47 ALA H 4.94
&rst
ixpk= 0, nxpk= 0, iat= 854, 861, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44, &end
#
# 46 GLU HB2 47 ALA H 4.14
&rst
ixpk= 0, nxpk= 0, iat= 850, 861, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64, &end
#
# 47 ALA H 78 LEU QD1 5.11
&rst
ixpk= 0, nxpk= 0, iat= 861, -1, r1= 1.30, r2= 1.80, r3= 6.14, r4= 6.64,
igr2=1350,1351,1352,
&end
#
# 47 ALA H 50 VAL QG1 5.35
&rst
ixpk= 0, nxpk= 0, iat= 861, -1, r1= 1.30, r2= 1.80, r3= 6.43, r4= 6.93,
igr2= 896, 897, 898,
&end
#
# 46 GLU H 78 LEU QD1 4.89
&rst
ixpk= 0, nxpk= 0, iat= 846, -1, r1= 1.30, r2= 1.80, r3= 5.87, r4= 6.37,
igr2=1350,1351,1352,
&end
#
# 47 ALA H 73 TYR QD 4.74
&rst
ixpk= 0, nxpk= 0, iat= 861, -1, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82,
igr2=1256,1265,
&end
#
# 55 VAL QG1 58 ASP H 5.35
&rst
ixpk= 0, nxpk= 0, iat= -1,1021, r1= 1.30, r2= 1.80, r3= 6.43, r4= 6.93,
igr1= 966, 967, 968,
&end
#
# 94 ARG H 94 ARG HD2 4.71
&rst
ixpk= 0, nxpk= 0, iat=1596,1606, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21, &end
#
# 92 TYR HB3 94 ARG H 5.14
&rst
ixpk= 0, nxpk= 0, iat=1561,1596, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64, &end
#
# 94 ARG H 94 ARG QB 2.83
&rst
ixpk= 0, nxpk= 0, iat=1596, -1, r1= 1.30, r2= 1.80, r3= 3.18, r4= 3.68,
igr2=1600,1601,
&end
#
# 58 ASP H 59 GLY HA3 5.01
&rst
ixpk= 0, nxpk= 0, iat=1021,1036, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51, &end
#
# 66 VAL H 67 ARG H 4.61
&rst
ixpk= 0, nxpk= 0, iat=1128,1144, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11, &end
#
# 65 PHE HB2 67 ARG H 4.74
&rst
ixpk= 0, nxpk= 0, iat=1112,1144, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24, &end
#
# 67 ARG H 70 ASP H 5.45
&rst
ixpk= 0, nxpk= 0, iat=1144,1205, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95, &end
#
# 67 ARG H 70 ASP HB2 5.16
&rst
ixpk= 0, nxpk= 0, iat=1144,1209, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66, &end
#
# 94 ARG H 94 ARG HG3 4.26
&rst
ixpk= 0, nxpk= 0, iat=1596,1604, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76, &end
#
# 93 ILE HG13 94 ARG H 5.28
&rst
ixpk= 0, nxpk= 0, iat=1588,1596, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78, &end
#
# 29 SER H 94 ARG H 4.05
&rst
ixpk= 0, nxpk= 0, iat= 588,1596, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55, &end
#
# 28 VAL QG2 94 ARG H 4.36
&rst
ixpk= 0, nxpk= 0, iat= -1,1596, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,
igr1= 582, 583, 584,
&end
#
# 57 ARG H 58 ASP H 4.35
&rst
ixpk= 0, nxpk= 0, iat= 997,1021, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85, &end
#
# 58 ASP H 60 THR H 4.21
&rst
ixpk= 0, nxpk= 0, iat=1021,1040, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71, &end
#
# 56 TYR HA 58 ASP H 4.68
&rst
ixpk= 0, nxpk= 0, iat= 978,1021, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18, &end
#
# 56 TYR HB2 58 ASP H 4.13
&rst
ixpk= 0, nxpk= 0, iat= 980,1021, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63, &end
#
# 58 ASP H 58 ASP HB2 3.88
&rst
ixpk= 0, nxpk= 0, iat=1021,1025, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38, &end
#
# 58 ASP H 58 ASP HB3 3.98
&rst
ixpk= 0, nxpk= 0, iat=1021,1026, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48, &end
#
# 57 ARG HB3 58 ASP H 4.55
&rst
ixpk= 0, nxpk= 0, iat=1002,1021, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05, &end
#
# 57 ARG QG 58 ASP H 4.73
&rst
ixpk= 0, nxpk= 0, iat= -1,1021, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,
igr1=1004,1005,
&end
#
# 55 VAL HA 57 ARG H 5.00
&rst
ixpk= 0, nxpk= 0, iat= 962, 997, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 55 VAL QG2 57 ARG H 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 997, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 970, 971, 972,
&end
#
# 56 TYR HB3 57 ARG H 4.64
&rst
ixpk= 0, nxpk= 0, iat= 981, 997, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14, &end
#
# 55 VAL HB 57 ARG H 5.30
&rst
ixpk= 0, nxpk= 0, iat= 964, 997, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, &end
#
# 56 TYR QD 57 ARG H 4.99
&rst
ixpk= 0, nxpk= 0, iat= -1, 997, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,
igr1= 984, 993,
&end
#
# 57 ARG H 57 ARG QD 4.46
&rst
ixpk= 0, nxpk= 0, iat= 997, -1, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51,
igr2=1007,1008,
&end
#
# 57 ARG H 57 ARG QG 4.27
&rst
ixpk= 0, nxpk= 0, iat= 997, -1, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,
igr2=1004,1005,
&end
#
# 21 ARG HB2 22 SER H 4.50
&rst
ixpk= 0, nxpk= 0, iat= 456, 476, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 19 SER HA 21 ARG H 4.94
&rst
ixpk= 0, nxpk= 0, iat= 419, 452, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44, &end
#
# 20 ARG H 21 ARG H 4.70
&rst
ixpk= 0, nxpk= 0, iat= 428, 452, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, &end
#
# 21 ARG H 22 SER H 4.98
&rst
ixpk= 0, nxpk= 0, iat= 452, 476, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48, &end
#
# 21 ARG H 21 ARG HG3 5.35
&rst
ixpk= 0, nxpk= 0, iat= 452, 460, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85, &end
#
# 45 ARG HB3 45 ARG HE 5.50
&rst
ixpk= 0, nxpk= 0, iat= 827, 835, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 86 HIS H 87 GLU H 4.92
&rst
ixpk= 0, nxpk= 0, iat=1477,1495, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42, &end
#
# 86 HIS HB2 87 GLU H 5.06
&rst
ixpk= 0, nxpk= 0, iat=1481,1495, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56, &end
#
# 87 GLU H 87 GLU HB2 4.13
&rst
ixpk= 0, nxpk= 0, iat=1495,1499, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63, &end
#
# 87 GLU H 87 GLU HG3 4.46
&rst
ixpk= 0, nxpk= 0, iat=1495,1503, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96, &end
#
# 87 GLU H 87 GLU HG2 4.40
&rst
ixpk= 0, nxpk= 0, iat=1495,1502, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90, &end
#
# 19 SER H 20 ARG HB2 4.37
&rst
ixpk= 0, nxpk= 0, iat= 417, 432, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87, &end
#
# 76 ARG H 76 ARG QD 4.37
&rst
ixpk= 0, nxpk= 0, iat=1295, -1, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,
igr2=1305,1306,
&end
#
# 76 ARG H 76 ARG QB 3.19
&rst
ixpk= 0, nxpk= 0, iat=1295, -1, r1= 1.30, r2= 1.80, r3= 3.58, r4= 4.08,
igr2=1299,1300,
&end
#
# 74 ALA QB 76 ARG H 5.45
&rst
ixpk= 0, nxpk= 0, iat= -1,1295, r1= 1.30, r2= 1.80, r3= 6.55, r4= 7.05,
igr1=1273,1274,1275,
&end
#
# 76 ARG H 77 LYS HB3 5.50
&rst
ixpk= 0, nxpk= 0, iat=1295,1324, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 76 ARG H 78 LEU H 4.26
&rst
ixpk= 0, nxpk= 0, iat=1295,1341, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76, &end
#
# 74 ALA HA 76 ARG H 4.74
&rst
ixpk= 0, nxpk= 0, iat=1271,1295, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24, &end
#
# 48 GLY HA2 49 ASP H 3.53
&rst
ixpk= 0, nxpk= 0, iat= 873, 878, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03, &end
#
# 48 GLY HA3 49 ASP H 3.53
&rst
ixpk= 0, nxpk= 0, iat= 874, 878, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03, &end
#
# 49 ASP H 49 ASP HB3 3.40
&rst
ixpk= 0, nxpk= 0, iat= 878, 883, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90, &end
#
# 49 ASP H 50 VAL QG1 5.50
&rst
ixpk= 0, nxpk= 0, iat= 878, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 896, 897, 898,
&end
#
# 49 ASP H 65 PHE QE 5.22
&rst
ixpk= 0, nxpk= 0, iat= 878, -1, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36,
igr2=1118,1122,
&end
#
# 49 ASP H 50 VAL H 4.53
&rst
ixpk= 0, nxpk= 0, iat= 878, 890, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03, &end
#
# 77 LYS H 78 LEU HA 5.20
&rst
ixpk= 0, nxpk= 0, iat=1319,1343, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70, &end
#
# 41 LYS H 42 ASP H 4.08
&rst
ixpk= 0, nxpk= 0, iat= 754, 776, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58, &end
#
# 42 ASP H 43 HIS HB2 5.09
&rst
ixpk= 0, nxpk= 0, iat= 776, 792, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59, &end
#
# 42 ASP H 42 ASP HB3 3.82
&rst
ixpk= 0, nxpk= 0, iat= 776, 781, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32, &end
#
# 42 ASP H 53 ALA QB 5.38
&rst
ixpk= 0, nxpk= 0, iat= 776, -1, r1= 1.30, r2= 1.80, r3= 6.46, r4= 6.96,
igr2= 942, 943, 944,
&end
#
# 39 ASP HA 42 ASP H 5.11
&rst
ixpk= 0, nxpk= 0, iat= 725, 776, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61, &end
#
# 42 ASP H 42 ASP HB2 3.84
&rst
ixpk= 0, nxpk= 0, iat= 776, 780, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34, &end
#
# 41 LYS HB2 42 ASP H 3.96
&rst
ixpk= 0, nxpk= 0, iat= 758, 776, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46, &end
#
# 42 ASP H 50 VAL QG2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 776, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 900, 901, 902,
&end
#
# 77 LYS H 78 LEU H 3.70
&rst
ixpk= 0, nxpk= 0, iat=1319,1341, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20, &end
#
# 76 ARG H 77 LYS H 3.62
&rst
ixpk= 0, nxpk= 0, iat=1295,1319, r1= 1.30, r2= 1.80, r3= 3.62, r4= 4.12, &end
#
# 77 LYS H 79 ASP H 4.33
&rst
ixpk= 0, nxpk= 0, iat=1319,1360, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83, &end
#
# 74 ALA HA 77 LYS H 4.62
&rst
ixpk= 0, nxpk= 0, iat=1271,1319, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12, &end
#
# 76 ARG QB 77 LYS H 3.59
&rst
ixpk= 0, nxpk= 0, iat= -1,1319, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53,
igr1=1299,1300,
&end
#
# 77 LYS H 77 LYS HB3 3.58
&rst
ixpk= 0, nxpk= 0, iat=1319,1324, r1= 1.30, r2= 1.80, r3= 3.58, r4= 4.08, &end
#
# 73 TYR QE 77 LYS H 5.40
&rst
ixpk= 0, nxpk= 0, iat= -1,1319, r1= 1.30, r2= 1.80, r3= 6.06, r4= 6.56,
igr1=1258,1263,
&end
#
# 92 TYR QD 93 ILE H 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1577, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1564,1573,
&end
#
# 93 ILE H 93 ILE HG12 4.49
&rst
ixpk= 0, nxpk= 0, iat=1577,1587, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99, &end
#
# 93 ILE H 93 ILE HG13 4.36
&rst
ixpk= 0, nxpk= 0, iat=1577,1588, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86, &end
#
# 93 ILE H 95 VAL QG2 4.89
&rst
ixpk= 0, nxpk= 0, iat=1577, -1, r1= 1.30, r2= 1.80, r3= 5.87, r4= 6.37,
igr2=1630,1631,1632,
&end
#
# 41 LYS HB3 42 ASP H 4.23
&rst
ixpk= 0, nxpk= 0, iat= 759, 776, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73, &end
#
# 82 LYS HA 93 ILE H 4.49
&rst
ixpk= 0, nxpk= 0, iat=1402,1577, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99, &end
#
# 80 ASN H 93 ILE H 5.39
&rst
ixpk= 0, nxpk= 0, iat=1372,1577, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89, &end
#
# 53 ALA QB 55 VAL H 5.45
&rst
ixpk= 0, nxpk= 0, iat= -1, 960, r1= 1.30, r2= 1.80, r3= 6.55, r4= 7.05,
igr1= 942, 943, 944,
&end
#
# 54 ASP H 55 VAL H 5.26
&rst
ixpk= 0, nxpk= 0, iat= 948, 960, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76, &end
#
# 37 TRP H 55 VAL H 4.69
&rst
ixpk= 0, nxpk= 0, iat= 682, 960, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19, &end
#
# 55 VAL H 56 TYR H 4.93
&rst
ixpk= 0, nxpk= 0, iat= 960, 976, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43, &end
#
# 54 ASP HA 55 VAL H 3.48
&rst
ixpk= 0, nxpk= 0, iat= 950, 960, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98, &end
#
# 37 TRP HA 55 VAL H 4.68
&rst
ixpk= 0, nxpk= 0, iat= 684, 960, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18, &end
#
# 37 TRP HB2 55 VAL H 4.42
&rst
ixpk= 0, nxpk= 0, iat= 686, 960, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92, &end
#
# 37 TRP HB3 55 VAL H 4.33
&rst
ixpk= 0, nxpk= 0, iat= 687, 960, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83, &end
#
# 54 ASP QB 55 VAL H 3.80
&rst
ixpk= 0, nxpk= 0, iat= -1, 960, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,
igr1= 952, 953,
&end
#
# 55 VAL H 62 VAL QG1 5.19
&rst
ixpk= 0, nxpk= 0, iat= 960, -1, r1= 1.30, r2= 1.80, r3= 6.23, r4= 6.73,
igr2=1067,1068,1069,
&end
#
# 55 VAL H 55 VAL QG2 3.72
&rst
ixpk= 0, nxpk= 0, iat= 960, -1, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97,
igr2= 970, 971, 972,
&end
#
# 23 GLU H 24 ASN H 4.31
&rst
ixpk= 0, nxpk= 0, iat= 487, 502, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81, &end
#
# 23 GLU H 23 GLU HG2 3.73
&rst
ixpk= 0, nxpk= 0, iat= 487, 494, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23, &end
#
# 23 GLU H 23 GLU HB3 3.99
&rst
ixpk= 0, nxpk= 0, iat= 487, 492, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49, &end
#
# 75 VAL H 75 VAL QG2 4.98
&rst
ixpk= 0, nxpk= 0, iat=1279, -1, r1= 1.30, r2= 1.80, r3= 5.98, r4= 6.48,
igr2=1289,1290,1291,
&end
#
# 74 ALA H 75 VAL H 4.04
&rst
ixpk= 0, nxpk= 0, iat=1269,1279, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54, &end
#
# 72 THR H 75 VAL H 5.31
&rst
ixpk= 0, nxpk= 0, iat=1234,1279, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81, &end
#
# 73 TYR HA 75 VAL H 4.44
&rst
ixpk= 0, nxpk= 0, iat=1250,1279, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94, &end
#
# 75 VAL H 95 VAL QG1 4.76
&rst
ixpk= 0, nxpk= 0, iat=1279, -1, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,
igr2=1626,1627,1628,
&end
#
# 75 VAL H 77 LYS H 4.88
&rst
ixpk= 0, nxpk= 0, iat=1279,1319, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38, &end
#
# 72 THR QG2 75 VAL H 5.25
&rst
ixpk= 0, nxpk= 0, iat= -1,1279, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1=1240,1241,1242,
&end
#
# 75 VAL HA 78 LEU H 5.00
&rst
ixpk= 0, nxpk= 0, iat=1281,1341, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 78 LEU H 79 ASP HB3 4.90
&rst
ixpk= 0, nxpk= 0, iat=1341,1365, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40, &end
#
# 76 ARG QB 78 LEU H 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1341, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1299,1300,
&end
#
# 78 LEU H 78 LEU HB3 3.79
&rst
ixpk= 0, nxpk= 0, iat=1341,1346, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29, &end
#
# 77 LYS HB3 78 LEU H 3.81
&rst
ixpk= 0, nxpk= 0, iat=1324,1341, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31, &end
#
# 76 ARG HA 78 LEU H 5.50
&rst
ixpk= 0, nxpk= 0, iat=1297,1341, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 77 LYS HB2 78 LEU H 4.09
&rst
ixpk= 0, nxpk= 0, iat=1323,1341, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59, &end
#
# 90 THR H 91 ALA H 4.63
&rst
ixpk= 0, nxpk= 0, iat=1532,1546, r1= 1.30, r2= 1.80, r3= 4.63, r4= 5.13, &end
#
# 89 GLU HA 90 THR H 3.10
&rst
ixpk= 0, nxpk= 0, iat=1519,1532, r1= 1.30, r2= 1.80, r3= 3.10, r4= 3.60, &end
#
# 90 THR H 90 THR HB 4.13
&rst
ixpk= 0, nxpk= 0, iat=1532,1536, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63, &end
#
# 89 GLU HG3 90 THR H 4.13
&rst
ixpk= 0, nxpk= 0, iat=1525,1532, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63, &end
#
# 89 GLU HB2 90 THR H 3.93
&rst
ixpk= 0, nxpk= 0, iat=1521,1532, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, &end
#
# 89 GLU HB3 90 THR H 4.55
&rst
ixpk= 0, nxpk= 0, iat=1522,1532, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05, &end
#
# 90 THR H 90 THR QG2 3.96
&rst
ixpk= 0, nxpk= 0, iat=1532, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr2=1538,1539,1540,
&end
#
# 24 ASN HD22 68 LYS H 5.31
&rst
ixpk= 0, nxpk= 0, iat= 511,1168, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81, &end
#
# 24 ASN HD22 68 LYS HB3 5.21
&rst
ixpk= 0, nxpk= 0, iat= 511,1173, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71, &end
#
# 22 SER HB2 24 ASN HD22 5.37
&rst
ixpk= 0, nxpk= 0, iat= 480, 511, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87, &end
#
# 24 ASN HD22 68 LYS HA 4.51
&rst
ixpk= 0, nxpk= 0, iat= 511,1170, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01, &end
#
# 24 ASN H 24 ASN HD22 5.21
&rst
ixpk= 0, nxpk= 0, iat= 502, 511, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71, &end
#
# 44 MET H 45 ARG HB3 4.87
&rst
ixpk= 0, nxpk= 0, iat= 805, 827, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37, &end
#
# 70 ASP HA 72 THR H 4.99
&rst
ixpk= 0, nxpk= 0, iat=1207,1234, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49, &end
#
# 44 MET H 46 GLU H 5.30
&rst
ixpk= 0, nxpk= 0, iat= 805, 846, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, &end
#
# 41 LYS H 44 MET H 5.27
&rst
ixpk= 0, nxpk= 0, iat= 754, 805, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77, &end
#
# 41 LYS HA 44 MET H 5.04
&rst
ixpk= 0, nxpk= 0, iat= 756, 805, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54, &end
#
# 43 HIS HB2 44 MET H 4.11
&rst
ixpk= 0, nxpk= 0, iat= 792, 805, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61, &end
#
# 44 MET H 44 MET HG2 5.03
&rst
ixpk= 0, nxpk= 0, iat= 805, 812, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53, &end
#
# 44 MET H 44 MET HG3 4.53
&rst
ixpk= 0, nxpk= 0, iat= 805, 813, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03, &end
#
# 44 MET H 44 MET HB3 3.88
&rst
ixpk= 0, nxpk= 0, iat= 805, 810, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38, &end
#
# 40 LEU QD1 44 MET H 4.49
&rst
ixpk= 0, nxpk= 0, iat= -1, 805, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1= 744, 745, 746,
&end
#
# 44 MET H 63 VAL QG2 4.83
&rst
ixpk= 0, nxpk= 0, iat= 805, -1, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
igr2=1087,1088,1089,
&end
#
# 72 THR H 73 TYR H 3.97
&rst
ixpk= 0, nxpk= 0, iat=1234,1248, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47, &end
#
# 71 MET H 72 THR H 4.03
&rst
ixpk= 0, nxpk= 0, iat=1217,1234, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53, &end
#
# 71 MET HB2 72 THR H 4.10
&rst
ixpk= 0, nxpk= 0, iat=1221,1234, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60, &end
#
# 71 MET HB3 72 THR H 4.58
&rst
ixpk= 0, nxpk= 0, iat=1222,1234, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08, &end
#
# 72 THR H 74 ALA H 4.88
&rst
ixpk= 0, nxpk= 0, iat=1234,1269, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38, &end
#
# 26 VAL QG2 72 THR H 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1234, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 550, 551, 552,
&end
#
# 27 VAL H 99 GLY H 5.17
&rst
ixpk= 0, nxpk= 0, iat= 556,1686, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67, &end
#
# 98 ASP H 99 GLY H 4.24
&rst
ixpk= 0, nxpk= 0, iat=1674,1686, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74, &end
#
# 98 ASP HA 99 GLY H 2.88
&rst
ixpk= 0, nxpk= 0, iat=1676,1686, r1= 1.30, r2= 1.80, r3= 2.88, r4= 3.38, &end
#
# 98 ASP HB2 99 GLY H 4.19
&rst
ixpk= 0, nxpk= 0, iat=1678,1686, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69, &end
#
# 98 ASP HB3 99 GLY H 4.11
&rst
ixpk= 0, nxpk= 0, iat=1679,1686, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61, &end
#
# 60 THR H 61 GLY H 4.94
&rst
ixpk= 0, nxpk= 0, iat=1040,1054, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44, &end
#
# 56 TYR HB2 60 THR H 5.22
&rst
ixpk= 0, nxpk= 0, iat= 980,1040, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72, &end
#
# 31 LEU HB3 60 THR H 5.08
&rst
ixpk= 0, nxpk= 0, iat= 611,1040, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58, &end
#
# 60 THR H 60 THR HB 4.20
&rst
ixpk= 0, nxpk= 0, iat=1040,1044, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 55 VAL QG2 60 THR H 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1040, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 970, 971, 972,
&end
#
# 80 ASN HA 80 ASN HD22 5.28
&rst
ixpk= 0, nxpk= 0, iat=1374,1381, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78, &end
#
# 80 ASN H 80 ASN HD22 5.50
&rst
ixpk= 0, nxpk= 0, iat=1372,1381, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 30 GLY H 60 THR HA 4.56
&rst
ixpk= 0, nxpk= 0, iat= 599,1042, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06, &end
#
# 30 GLY H 31 LEU QD2 4.81
&rst
ixpk= 0, nxpk= 0, iat= 599, -1, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28,
igr2= 619, 620, 621,
&end
#
# 55 VAL QG2 59 GLY H 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1033, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 970, 971, 972,
&end
#
# 58 ASP HB3 59 GLY H 5.17
&rst
ixpk= 0, nxpk= 0, iat=1026,1033, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67, &end
#
# 31 LEU HB2 59 GLY H 5.46
&rst
ixpk= 0, nxpk= 0, iat= 610,1033, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96, &end
#
# 59 GLY H 60 THR H 3.74
&rst
ixpk= 0, nxpk= 0, iat=1033,1040, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24, &end
#
# 58 ASP HB2 59 GLY H 4.98
&rst
ixpk= 0, nxpk= 0, iat=1025,1033, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48, &end
#
# 31 LEU QD2 59 GLY H 5.04
&rst
ixpk= 0, nxpk= 0, iat= -1,1033, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
igr1= 619, 620, 621,
&end
#
# 29 SER H 30 GLY H 4.80
&rst
ixpk= 0, nxpk= 0, iat= 588, 599, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, &end
#
# 29 SER HB2 30 GLY H 3.85
&rst
ixpk= 0, nxpk= 0, iat= 592, 599, r1= 1.30, r2= 1.80, r3= 3.85, r4= 4.35, &end
#
# 30 GLY H 31 LEU HB3 4.89
&rst
ixpk= 0, nxpk= 0, iat= 599, 611, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39, &end
#
# 28 VAL QG2 30 GLY H 5.29
&rst
ixpk= 0, nxpk= 0, iat= -1, 599, r1= 1.30, r2= 1.80, r3= 6.35, r4= 6.85,
igr1= 582, 583, 584,
&end
#
# 30 GLY H 31 LEU QD1 5.50
&rst
ixpk= 0, nxpk= 0, iat= 599, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 615, 616, 617,
&end
#
# 87 GLU HA 88 GLY H 3.55
&rst
ixpk= 0, nxpk= 0, iat=1497,1510, r1= 1.30, r2= 1.80, r3= 3.55, r4= 4.05, &end
#
# 87 GLU H 88 GLY H 3.73
&rst
ixpk= 0, nxpk= 0, iat=1495,1510, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23, &end
#
# 87 GLU HG3 88 GLY H 5.29
&rst
ixpk= 0, nxpk= 0, iat=1503,1510, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79, &end
#
# 35 GLY H 83 PHE QE 4.99
&rst
ixpk= 0, nxpk= 0, iat= 664, -1, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,
igr2=1432,1436,
&end
#
# 35 GLY H 83 PHE HZ 5.48
&rst
ixpk= 0, nxpk= 0, iat= 664,1434, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98, &end
#
# 31 LEU QD1 35 GLY H 5.38
&rst
ixpk= 0, nxpk= 0, iat= -1, 664, r1= 1.30, r2= 1.80, r3= 6.46, r4= 6.96,
igr1= 615, 616, 617,
&end
#
# 34 SER H 35 GLY H 4.26
&rst
ixpk= 0, nxpk= 0, iat= 653, 664, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76, &end
#
# 33 PRO QD 34 SER H 5.18
&rst
ixpk= 0, nxpk= 0, iat= -1, 653, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31,
igr1= 640, 641,
&end
#
# 34 SER H 35 GLY HA3 5.12
&rst
ixpk= 0, nxpk= 0, iat= 653, 667, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62, &end
#
# 56 TYR QE 61 GLY H 5.30
&rst
ixpk= 0, nxpk= 0, iat= -1,1054, r1= 1.30, r2= 1.80, r3= 5.95, r4= 6.45,
igr1= 986, 991,
&end
#
# 28 VAL HB 61 GLY H 5.15
&rst
ixpk= 0, nxpk= 0, iat= 576,1054, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65, &end
#
# 60 THR QG2 61 GLY H 4.28
&rst
ixpk= 0, nxpk= 0, iat= -1,1054, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
igr1=1046,1047,1048,
&end
#
# 27 VAL QG1 61 GLY H 4.63
&rst
ixpk= 0, nxpk= 0, iat= -1,1054, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
igr1= 562, 563, 564,
&end
#
# 28 VAL QG2 61 GLY H 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1054, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1= 582, 583, 584,
&end
#
# 27 VAL HA 61 GLY H 4.82
&rst
ixpk= 0, nxpk= 0, iat= 558,1054, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32, &end
#
# 29 SER HB2 61 GLY H 5.30
&rst
ixpk= 0, nxpk= 0, iat= 592,1054, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, &end
#
# 31 LEU QD2 61 GLY H 5.04
&rst
ixpk= 0, nxpk= 0, iat= -1,1054, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
igr1= 619, 620, 621,
&end
#
# 29 SER HA 61 GLY H 4.53
&rst
ixpk= 0, nxpk= 0, iat= 590,1054, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03, &end
#
# 80 ASN H 81 THR H 4.01
&rst
ixpk= 0, nxpk= 0, iat=1372,1386, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51, &end
#
# 81 THR H 95 VAL H 5.16
&rst
ixpk= 0, nxpk= 0, iat=1386,1620, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66, &end
#
# 81 THR H 82 LYS H 4.53
&rst
ixpk= 0, nxpk= 0, iat=1386,1400, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03, &end
#
# 81 THR H 93 ILE H 4.62
&rst
ixpk= 0, nxpk= 0, iat=1386,1577, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12, &end
#
# 81 THR H 81 THR HB 4.10
&rst
ixpk= 0, nxpk= 0, iat=1386,1390, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60, &end
#
# 80 ASN HB3 81 THR H 4.59
&rst
ixpk= 0, nxpk= 0, iat=1377,1386, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09, &end
#
# 81 THR H 93 ILE HG12 5.33
&rst
ixpk= 0, nxpk= 0, iat=1386,1587, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83, &end
#
# 81 THR H 95 VAL QG2 4.79
&rst
ixpk= 0, nxpk= 0, iat=1386, -1, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25,
igr2=1630,1631,1632,
&end
#
# 81 THR H 93 ILE HG13 5.13
&rst
ixpk= 0, nxpk= 0, iat=1386,1588, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63, &end
#
# 81 THR H 94 ARG HA 5.32
&rst
ixpk= 0, nxpk= 0, iat=1386,1598, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82, &end
#
# 81 THR H 81 THR QG2 4.33
&rst
ixpk= 0, nxpk= 0, iat=1386, -1, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,
igr2=1392,1393,1394,
&end
#
# 81 THR H 93 ILE QD1 4.88
&rst
ixpk= 0, nxpk= 0, iat=1386, -1, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36,
igr2=1590,1591,1592,
&end
#
# 80 ASN HB2 81 THR H 4.42
&rst
ixpk= 0, nxpk= 0, iat=1376,1386, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92, &end
#
# 81 THR H 92 TYR QD 5.50
&rst
ixpk= 0, nxpk= 0, iat=1386, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1564,1573,
&end
#
# 48 GLY H 65 PHE QE 4.67
&rst
ixpk= 0, nxpk= 0, iat= 871, -1, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,
igr2=1118,1122,
&end
#
# 47 ALA H 48 GLY H 3.33
&rst
ixpk= 0, nxpk= 0, iat= 861, 871, r1= 1.30, r2= 1.80, r3= 3.33, r4= 3.83, &end
#
# 48 GLY H 49 ASP H 4.22
&rst
ixpk= 0, nxpk= 0, iat= 871, 878, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72, &end
#
# 45 ARG HA 48 GLY H 3.90
&rst
ixpk= 0, nxpk= 0, iat= 824, 871, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40, &end
#
# 46 GLU HB3 48 GLY H 5.05
&rst
ixpk= 0, nxpk= 0, iat= 851, 871, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, &end
#
# 47 ALA QB 48 GLY H 3.94
&rst
ixpk= 0, nxpk= 0, iat= -1, 871, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,
igr1= 865, 866, 867,
&end
#
# 46 GLU HA 48 GLY H 4.64
&rst
ixpk= 0, nxpk= 0, iat= 848, 871, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14, &end
#
# 48 GLY H 70 ASP HB3 5.34
&rst
ixpk= 0, nxpk= 0, iat= 871,1210, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84, &end
#
# 81 THR HB 82 LYS H 3.75
&rst
ixpk= 0, nxpk= 0, iat=1390,1400, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25, &end
#
# 27 VAL QG1 60 THR HB 4.42
&rst
ixpk= 0, nxpk= 0, iat= -1,1044, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,
igr1= 562, 563, 564,
&end
#
# 83 PHE H 90 THR HB 5.02
&rst
ixpk= 0, nxpk= 0, iat=1422,1536, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52, &end
#
# 90 THR HB 91 ALA H 3.57
&rst
ixpk= 0, nxpk= 0, iat=1536,1546, r1= 1.30, r2= 1.80, r3= 3.57, r4= 4.07, &end
#
# 84 ARG HA 90 THR HB 5.11
&rst
ixpk= 0, nxpk= 0, iat=1444,1536, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61, &end
#
# 84 ARG QD 90 THR HB 5.39
&rst
ixpk= 0, nxpk= 0, iat= -1,1536, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
igr1=1452,1453,
&end
#
# 84 ARG HB2 90 THR HB 3.84
&rst
ixpk= 0, nxpk= 0, iat=1446,1536, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34, &end
#
# 72 THR H 72 THR HB 3.54
&rst
ixpk= 0, nxpk= 0, iat=1234,1238, r1= 1.30, r2= 1.80, r3= 3.54, r4= 4.04, &end
#
# 72 THR HB 73 TYR H 3.61
&rst
ixpk= 0, nxpk= 0, iat=1238,1248, r1= 1.30, r2= 1.80, r3= 3.61, r4= 4.11, &end
#
# 71 MET H 72 THR HB 4.94
&rst
ixpk= 0, nxpk= 0, iat=1217,1238, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44, &end
#
# 72 THR HB 76 ARG QD 4.33
&rst
ixpk= 0, nxpk= 0, iat=1238, -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
igr2=1305,1306,
&end
#
# 72 THR HB 75 VAL QG1 5.49
&rst
ixpk= 0, nxpk= 0, iat=1238, -1, r1= 1.30, r2= 1.80, r3= 6.59, r4= 7.09,
igr2=1285,1286,1287,
&end
#
# 36 SER HB3 37 TRP H 5.47
&rst
ixpk= 0, nxpk= 0, iat= 676, 682, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97, &end
#
# 22 SER HB3 24 ASN HD21 5.50
&rst
ixpk= 0, nxpk= 0, iat= 481, 512, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 65 PHE HA 66 VAL HA 4.93
&rst
ixpk= 0, nxpk= 0, iat=1110,1130, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43, &end
#
# 22 SER HB2 23 GLU H 4.05
&rst
ixpk= 0, nxpk= 0, iat= 480, 487, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55, &end
#
# 22 SER HB2 23 GLU HG3 4.51
&rst
ixpk= 0, nxpk= 0, iat= 480, 495, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01, &end
#
# 22 SER HB2 24 ASN H 4.58
&rst
ixpk= 0, nxpk= 0, iat= 480, 502, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08, &end
#
# 22 SER HB3 24 ASN H 3.41
&rst
ixpk= 0, nxpk= 0, iat= 481, 502, r1= 1.30, r2= 1.80, r3= 3.41, r4= 3.91, &end
#
# 22 SER HB3 23 GLU H 4.05
&rst
ixpk= 0, nxpk= 0, iat= 481, 487, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55, &end
#
# 22 SER HA 22 SER HB3 3.01
&rst
ixpk= 0, nxpk= 0, iat= 478, 481, r1= 1.30, r2= 1.80, r3= 3.01, r4= 3.51, &end
#
# 66 VAL HA 66 VAL QG1 3.34
&rst
ixpk= 0, nxpk= 0, iat=1130, -1, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51,
igr2=1134,1135,1136,
&end
#
# 75 VAL HA 77 LYS H 5.10
&rst
ixpk= 0, nxpk= 0, iat=1281,1319, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60, &end
#
# 75 VAL HA 79 ASP H 4.61
&rst
ixpk= 0, nxpk= 0, iat=1281,1360, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11, &end
#
# 75 VAL HA 95 VAL HB 4.00
&rst
ixpk= 0, nxpk= 0, iat=1281,1624, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 74 ALA QB 75 VAL HA 5.30
&rst
ixpk= 0, nxpk= 0, iat= -1,1281, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1=1273,1274,1275,
&end
#
# 75 VAL HA 75 VAL QG1 3.27
&rst
ixpk= 0, nxpk= 0, iat=1281, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1285,1286,1287,
&end
#
# 75 VAL HA 75 VAL QG2 3.67
&rst
ixpk= 0, nxpk= 0, iat=1281, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr2=1289,1290,1291,
&end
#
# 72 THR HA 75 VAL H 3.72
&rst
ixpk= 0, nxpk= 0, iat=1236,1279, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22, &end
#
# 72 THR HA 75 VAL QG1 3.66
&rst
ixpk= 0, nxpk= 0, iat=1236, -1, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,
igr2=1285,1286,1287,
&end
#
# 75 VAL HA 79 ASP HB3 5.07
&rst
ixpk= 0, nxpk= 0, iat=1281,1365, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57, &end
#
# 29 SER HB2 31 LEU H 5.01
&rst
ixpk= 0, nxpk= 0, iat= 592, 606, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51, &end
#
# 29 SER HB2 60 THR HA 4.58
&rst
ixpk= 0, nxpk= 0, iat= 592,1042, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08, &end
#
# 27 VAL QG1 29 SER HB2 5.08
&rst
ixpk= 0, nxpk= 0, iat= -1, 592, r1= 1.30, r2= 1.80, r3= 6.10, r4= 6.60,
igr1= 562, 563, 564,
&end
#
# 29 SER HB3 30 GLY H 3.99
&rst
ixpk= 0, nxpk= 0, iat= 593, 599, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49, &end
#
# 33 PRO HA 35 GLY H 4.89
&rst
ixpk= 0, nxpk= 0, iat= 649, 664, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39, &end
#
# 27 VAL H 97 VAL HA 4.30
&rst
ixpk= 0, nxpk= 0, iat= 556,1660, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 96 LYS HA 97 VAL HA 4.38
&rst
ixpk= 0, nxpk= 0, iat=1638,1660, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88, &end
#
# 26 VAL HA 97 VAL HA 3.89
&rst
ixpk= 0, nxpk= 0, iat= 542,1660, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39, &end
#
# 19 SER HB2 20 ARG H 4.31
&rst
ixpk= 0, nxpk= 0, iat= 421, 428, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81, &end
#
# 34 SER HB2 87 GLU HG2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 657,1502, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 34 SER HB2 87 GLU HB2 5.03
&rst
ixpk= 0, nxpk= 0, iat= 657,1499, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53, &end
#
# 19 SER HB3 20 ARG H 4.52
&rst
ixpk= 0, nxpk= 0, iat= 422, 428, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02, &end
#
# 34 SER HB3 87 GLU H 4.81
&rst
ixpk= 0, nxpk= 0, iat= 658,1495, r1= 1.30, r2= 1.80, r3= 4.81, r4= 5.31, &end
#
# 19 SER HB3 20 ARG QD 3.87
&rst
ixpk= 0, nxpk= 0, iat= 422, -1, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84,
igr2= 438, 439,
&end
#
# 34 SER HB2 87 GLU HG3 5.50
&rst
ixpk= 0, nxpk= 0, iat= 657,1503, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 41 LYS HA 53 ALA QB 4.01
&rst
ixpk= 0, nxpk= 0, iat= 756, -1, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32,
igr2= 942, 943, 944,
&end
#
# 40 LEU QD1 41 LYS HA 4.85
&rst
ixpk= 0, nxpk= 0, iat= -1, 756, r1= 1.30, r2= 1.80, r3= 5.82, r4= 6.32,
igr1= 744, 745, 746,
&end
#
# 41 LYS HA 50 VAL QG2 4.12
&rst
ixpk= 0, nxpk= 0, iat= 756, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr2= 900, 901, 902,
&end
#
# 41 LYS HA 43 HIS H 5.09
&rst
ixpk= 0, nxpk= 0, iat= 756, 788, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59, &end
#
# 41 LYS HA 44 MET HG2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 756, 812, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 38 GLN HA 41 LYS H 5.20
&rst
ixpk= 0, nxpk= 0, iat= 708, 754, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70, &end
#
# 38 GLN HA 42 ASP H 5.50
&rst
ixpk= 0, nxpk= 0, iat= 708, 776, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 38 GLN HA 41 LYS HB3 5.50
&rst
ixpk= 0, nxpk= 0, iat= 708, 759, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 95 VAL HA 95 VAL QG2 3.52
&rst
ixpk= 0, nxpk= 0, iat=1622, -1, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73,
igr2=1630,1631,1632,
&end
#
# 49 ASP HA 50 VAL HA 5.25
&rst
ixpk= 0, nxpk= 0, iat= 880, 892, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75, &end
#
# 37 TRP HE3 38 GLN HA 5.12
&rst
ixpk= 0, nxpk= 0, iat= 701, 708, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62, &end
#
# 73 TYR HA 77 LYS H 5.47
&rst
ixpk= 0, nxpk= 0, iat=1250,1319, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97, &end
#
# 81 THR HA 82 LYS H 3.29
&rst
ixpk= 0, nxpk= 0, iat=1388,1400, r1= 1.30, r2= 1.80, r3= 3.29, r4= 3.79, &end
#
# 55 VAL HA 61 GLY HA3 4.37
&rst
ixpk= 0, nxpk= 0, iat= 962,1057, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87, &end
#
# 36 SER HA 37 TRP HA 4.64
&rst
ixpk= 0, nxpk= 0, iat= 673, 684, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14, &end
#
# 27 VAL HA 28 VAL H 3.55
&rst
ixpk= 0, nxpk= 0, iat= 558, 572, r1= 1.30, r2= 1.80, r3= 3.55, r4= 4.05, &end
#
# 27 VAL HA 27 VAL QG1 3.54
&rst
ixpk= 0, nxpk= 0, iat= 558, -1, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75,
igr2= 562, 563, 564,
&end
#
# 37 TRP HA 40 LEU HB2 4.44
&rst
ixpk= 0, nxpk= 0, iat= 684, 739, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94, &end
#
# 37 TRP HA 53 ALA QB 4.63
&rst
ixpk= 0, nxpk= 0, iat= 684, -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
igr2= 942, 943, 944,
&end
#
# 37 TRP HA 55 VAL QG1 3.92
&rst
ixpk= 0, nxpk= 0, iat= 684, -1, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
igr2= 966, 967, 968,
&end
#
# 24 ASN HD21 68 LYS HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= 512,1170, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 24 ASN HB3 68 LYS HA 4.47
&rst
ixpk= 0, nxpk= 0, iat= 507,1170, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97, &end
#
# 67 ARG HA 68 LYS HA 4.85
&rst
ixpk= 0, nxpk= 0, iat=1146,1170, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35, &end
#
# 68 LYS HA 71 MET QE 4.96
&rst
ixpk= 0, nxpk= 0, iat=1170, -1, r1= 1.30, r2= 1.80, r3= 5.96, r4= 6.46,
igr2=1228,1229,1230,
&end
#
# 29 SER HB3 60 THR HA 4.47
&rst
ixpk= 0, nxpk= 0, iat= 593,1042, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97, &end
#
# 28 VAL QG2 60 THR HA 5.03
&rst
ixpk= 0, nxpk= 0, iat= -1,1042, r1= 1.30, r2= 1.80, r3= 6.04, r4= 6.54,
igr1= 582, 583, 584,
&end
#
# 31 LEU QD2 60 THR HA 4.85
&rst
ixpk= 0, nxpk= 0, iat= -1,1042, r1= 1.30, r2= 1.80, r3= 5.82, r4= 6.32,
igr1= 619, 620, 621,
&end
#
# 28 VAL QG2 93 ILE HA 4.52
&rst
ixpk= 0, nxpk= 0, iat= -1,1579, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,
igr1= 582, 583, 584,
&end
#
# 24 ASN H 68 LYS HA 4.76
&rst
ixpk= 0, nxpk= 0, iat= 502,1170, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26, &end
#
# 68 LYS HA 68 LYS HB3 2.72
&rst
ixpk= 0, nxpk= 0, iat=1170,1173, r1= 1.30, r2= 1.80, r3= 2.72, r4= 3.22, &end
#
# 68 LYS HA 72 THR H 5.10
&rst
ixpk= 0, nxpk= 0, iat=1170,1234, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60, &end
#
# 26 VAL H 62 VAL HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= 540,1063, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 27 VAL HA 62 VAL HA 3.87
&rst
ixpk= 0, nxpk= 0, iat= 558,1063, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37, &end
#
# 25 ARG QD 62 VAL HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1063, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 526, 527,
&end
#
# 31 LEU QD1 93 ILE HA 5.27
&rst
ixpk= 0, nxpk= 0, iat= -1,1579, r1= 1.30, r2= 1.80, r3= 6.33, r4= 6.83,
igr1= 615, 616, 617,
&end
#
# 69 GLU HA 71 MET H 5.39
&rst
ixpk= 0, nxpk= 0, iat=1192,1217, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89, &end
#
# 69 GLU HA 72 THR H 4.61
&rst
ixpk= 0, nxpk= 0, iat=1192,1234, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11, &end
#
# 28 VAL HA 95 VAL HA 4.37
&rst
ixpk= 0, nxpk= 0, iat= 574,1622, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87, &end
#
# 28 VAL HA 28 VAL QG2 3.53
&rst
ixpk= 0, nxpk= 0, iat= 574, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr2= 582, 583, 584,
&end
#
# 28 VAL HA 94 ARG H 5.45
&rst
ixpk= 0, nxpk= 0, iat= 574,1596, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95, &end
#
# 28 VAL HA 93 ILE QG2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 574, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1583,1584,1585,
&end
#
# 65 PHE QD 71 MET HA 4.53
&rst
ixpk= 0, nxpk= 0, iat= -1,1219, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,
igr1=1116,1124,
&end
#
# 71 MET HA 74 ALA H 4.72
&rst
ixpk= 0, nxpk= 0, iat=1219,1269, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, &end
#
# 71 MET HA 73 TYR H 5.25
&rst
ixpk= 0, nxpk= 0, iat=1219,1248, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75, &end
#
# 71 MET HA 71 MET HG2 4.05
&rst
ixpk= 0, nxpk= 0, iat=1219,1224, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55, &end
#
# 70 ASP H 71 MET HA 5.50
&rst
ixpk= 0, nxpk= 0, iat=1205,1219, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 76 ARG HA 79 ASP H 4.69
&rst
ixpk= 0, nxpk= 0, iat=1297,1360, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19, &end
#
# 75 VAL HA 76 ARG HA 4.90
&rst
ixpk= 0, nxpk= 0, iat=1281,1297, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40, &end
#
# 76 ARG HA 76 ARG QB 3.00
&rst
ixpk= 0, nxpk= 0, iat=1297, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2=1299,1300,
&end
#
# 76 ARG HA 76 ARG HG3 3.90
&rst
ixpk= 0, nxpk= 0, iat=1297,1303, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40, &end
#
# 46 GLU HA 78 LEU QD1 5.50
&rst
ixpk= 0, nxpk= 0, iat= 848, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1350,1351,1352,
&end
#
# 46 GLU HA 73 TYR QE 5.50
&rst
ixpk= 0, nxpk= 0, iat= 848, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1258,1263,
&end
#
# 45 ARG HA 45 ARG QD 4.60
&rst
ixpk= 0, nxpk= 0, iat= 824, -1, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
igr2= 832, 833,
&end
#
# 65 PHE HA 65 PHE QD 4.68
&rst
ixpk= 0, nxpk= 0, iat=1110, -1, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75,
igr2=1116,1124,
&end
#
# 50 VAL HA 65 PHE HA 4.18
&rst
ixpk= 0, nxpk= 0, iat= 892,1110, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68, &end
#
# 50 VAL QG1 65 PHE HA 4.49
&rst
ixpk= 0, nxpk= 0, iat= -1,1110, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1= 896, 897, 898,
&end
#
# 51 CYS H 65 PHE HA 4.84
&rst
ixpk= 0, nxpk= 0, iat= 906,1110, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34, &end
#
# 56 TYR HA 57 ARG HA 5.27
&rst
ixpk= 0, nxpk= 0, iat= 978, 999, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77, &end
#
# 57 ARG HA 58 ASP HB2 5.24
&rst
ixpk= 0, nxpk= 0, iat= 999,1025, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74, &end
#
# 57 ARG HA 57 ARG QD 4.40
&rst
ixpk= 0, nxpk= 0, iat= 999, -1, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
igr2=1007,1008,
&end
#
# 57 ARG HA 57 ARG QG 3.43
&rst
ixpk= 0, nxpk= 0, iat= 999, -1, r1= 1.30, r2= 1.80, r3= 3.85, r4= 4.35,
igr2=1004,1005,
&end
#
# 51 CYS HA 66 VAL QG1 4.46
&rst
ixpk= 0, nxpk= 0, iat= 908, -1, r1= 1.30, r2= 1.80, r3= 5.36, r4= 5.86,
igr2=1134,1135,1136,
&end
#
# 42 ASP HA 45 ARG HB3 4.31
&rst
ixpk= 0, nxpk= 0, iat= 778, 827, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81, &end
#
# 29 SER HA 60 THR HA 4.17
&rst
ixpk= 0, nxpk= 0, iat= 590,1042, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67, &end
#
# 29 SER HA 60 THR HB 4.20
&rst
ixpk= 0, nxpk= 0, iat= 590,1044, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 29 SER HA 31 LEU QD2 5.17
&rst
ixpk= 0, nxpk= 0, iat= 590, -1, r1= 1.30, r2= 1.80, r3= 6.21, r4= 6.71,
igr2= 619, 620, 621,
&end
#
# 79 ASP HA 95 VAL QG2 3.85
&rst
ixpk= 0, nxpk= 0, iat=1362, -1, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
igr2=1630,1631,1632,
&end
#
# 79 ASP HA 95 VAL HB 3.73
&rst
ixpk= 0, nxpk= 0, iat=1362,1624, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23, &end
#
# 42 ASP HA 42 ASP HB3 3.00
&rst
ixpk= 0, nxpk= 0, iat= 778, 781, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 28 VAL QG2 29 SER HA 4.95
&rst
ixpk= 0, nxpk= 0, iat= -1, 590, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr1= 582, 583, 584,
&end
#
# 89 GLU HA 90 THR HA 4.74
&rst
ixpk= 0, nxpk= 0, iat=1519,1534, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24, &end
#
# 76 ARG H 77 LYS HA 4.44
&rst
ixpk= 0, nxpk= 0, iat=1295,1321, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94, &end
#
# 77 LYS HA 77 LYS QE 4.81
&rst
ixpk= 0, nxpk= 0, iat=1321, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2=1332,1333,
&end
#
# 70 ASP HA 73 TYR H 3.95
&rst
ixpk= 0, nxpk= 0, iat=1207,1248, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45, &end
#
# 89 GLU HA 89 GLU HG3 3.74
&rst
ixpk= 0, nxpk= 0, iat=1519,1525, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24, &end
#
# 82 LYS HA 83 PHE HA 4.89
&rst
ixpk= 0, nxpk= 0, iat=1402,1424, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39, &end
#
# 82 LYS HA 82 LYS QD 4.73
&rst
ixpk= 0, nxpk= 0, iat=1402, -1, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,
igr2=1410,1411,
&end
#
# 82 LYS HA 92 TYR HA 4.25
&rst
ixpk= 0, nxpk= 0, iat=1402,1558, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75, &end
#
# 70 ASP HA 73 TYR HB3 3.83
&rst
ixpk= 0, nxpk= 0, iat=1207,1253, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33, &end
#
# 56 TYR HA 56 TYR QE 4.62
&rst
ixpk= 0, nxpk= 0, iat= 978, -1, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,
igr2= 986, 991,
&end
#
# 55 VAL HA 56 TYR HA 5.14
&rst
ixpk= 0, nxpk= 0, iat= 962, 978, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64, &end
#
# 56 TYR HA 57 ARG QD 3.84
&rst
ixpk= 0, nxpk= 0, iat= 978, -1, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81,
igr2=1007,1008,
&end
#
# 56 TYR HA 57 ARG QG 4.86
&rst
ixpk= 0, nxpk= 0, iat= 978, -1, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96,
igr2=1004,1005,
&end
#
# 87 GLU HA 87 GLU HG2 3.48
&rst
ixpk= 0, nxpk= 0, iat=1497,1502, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98, &end
#
# 47 ALA H 74 ALA HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= 861,1271, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 47 ALA HA 74 ALA HA 5.19
&rst
ixpk= 0, nxpk= 0, iat= 863,1271, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69, &end
#
# 73 TYR HA 74 ALA HA 5.33
&rst
ixpk= 0, nxpk= 0, iat=1250,1271, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83, &end
#
# 25 ARG HA 65 PHE H 4.71
&rst
ixpk= 0, nxpk= 0, iat= 518,1108, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21, &end
#
# 24 ASN H 25 ARG HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= 502, 518, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 25 ARG HA 64 GLU QG 4.56
&rst
ixpk= 0, nxpk= 0, iat= 518, -1, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
igr2=1100,1101,
&end
#
# 25 ARG HA 26 VAL QG1 4.57
&rst
ixpk= 0, nxpk= 0, iat= 518, -1, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99,
igr2= 546, 547, 548,
&end
#
# 25 ARG HA 64 GLU HA 4.42
&rst
ixpk= 0, nxpk= 0, iat= 518,1095, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92, &end
#
# 23 GLU HA 24 ASN HA 4.99
&rst
ixpk= 0, nxpk= 0, iat= 489, 504, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49, &end
#
# 23 GLU HA 23 GLU HB2 2.97
&rst
ixpk= 0, nxpk= 0, iat= 489, 491, r1= 1.30, r2= 1.80, r3= 2.97, r4= 3.47, &end
#
# 20 ARG HA 20 ARG QD 4.25
&rst
ixpk= 0, nxpk= 0, iat= 430, -1, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,
igr2= 438, 439,
&end
#
# 20 ARG HA 20 ARG QG 3.76
&rst
ixpk= 0, nxpk= 0, iat= 430, -1, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72,
igr2= 435, 436,
&end
#
# 74 ALA HA 78 LEU H 3.82
&rst
ixpk= 0, nxpk= 0, iat=1271,1341, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32, &end
#
# 74 ALA HA 78 LEU HA 5.50
&rst
ixpk= 0, nxpk= 0, iat=1271,1343, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 67 ARG HA 68 LYS QG 4.43
&rst
ixpk= 0, nxpk= 0, iat=1146, -1, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47,
igr2=1175,1176,
&end
#
# 75 VAL QG2 96 LYS HA 4.75
&rst
ixpk= 0, nxpk= 0, iat= -1,1638, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,
igr1=1289,1290,1291,
&end
#
# 80 ASN HA 94 ARG HG3 5.21
&rst
ixpk= 0, nxpk= 0, iat=1374,1604, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71, &end
#
# 78 LEU HA 81 THR QG2 4.08
&rst
ixpk= 0, nxpk= 0, iat=1343, -1, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,
igr2=1392,1393,1394,
&end
#
# 84 ARG HA 91 ALA H 5.05
&rst
ixpk= 0, nxpk= 0, iat=1444,1546, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, &end
#
# 84 ARG HA 90 THR HA 3.98
&rst
ixpk= 0, nxpk= 0, iat=1444,1534, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48, &end
#
# 31 LEU HA 93 ILE HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= 608,1579, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 37 TRP HA 54 ASP HA 5.26
&rst
ixpk= 0, nxpk= 0, iat= 684, 950, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76, &end
#
# 37 TRP HB2 54 ASP HA 4.37
&rst
ixpk= 0, nxpk= 0, iat= 686, 950, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87, &end
#
# 37 TRP HB3 54 ASP HA 4.30
&rst
ixpk= 0, nxpk= 0, iat= 687, 950, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 53 ALA QB 54 ASP HA 5.15
&rst
ixpk= 0, nxpk= 0, iat= -1, 950, r1= 1.30, r2= 1.80, r3= 6.18, r4= 6.68,
igr1= 942, 943, 944,
&end
#
# 54 ASP HA 55 VAL QG1 4.43
&rst
ixpk= 0, nxpk= 0, iat= 950, -1, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82,
igr2= 966, 967, 968,
&end
#
# 54 ASP HA 62 VAL QG1 5.50
&rst
ixpk= 0, nxpk= 0, iat= 950, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1067,1068,1069,
&end
#
# 30 GLY H 31 LEU HA 5.12
&rst
ixpk= 0, nxpk= 0, iat= 599, 608, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62, &end
#
# 31 LEU HA 91 ALA QB 5.32
&rst
ixpk= 0, nxpk= 0, iat= 608, -1, r1= 1.30, r2= 1.80, r3= 6.39, r4= 6.89,
igr2=1550,1551,1552,
&end
#
# 31 LEU HA 31 LEU QD2 4.37
&rst
ixpk= 0, nxpk= 0, iat= 608, -1, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75,
igr2= 619, 620, 621,
&end
#
# 24 ASN HA 24 ASN HD21 5.35
&rst
ixpk= 0, nxpk= 0, iat= 504, 512, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85, &end
#
# 24 ASN HA 68 LYS HA 4.61
&rst
ixpk= 0, nxpk= 0, iat= 504,1170, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11, &end
#
# 24 ASN HA 24 ASN HD22 5.20
&rst
ixpk= 0, nxpk= 0, iat= 504, 511, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70, &end
#
# 47 ALA HA 78 LEU HG 4.54
&rst
ixpk= 0, nxpk= 0, iat= 863,1348, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04, &end
#
# 79 ASP HA 94 ARG HA 4.87
&rst
ixpk= 0, nxpk= 0, iat=1362,1598, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37, &end
#
# 80 ASN HA 94 ARG HA 5.14
&rst
ixpk= 0, nxpk= 0, iat=1374,1598, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64, &end
#
# 94 ARG HA 94 ARG HD2 4.51
&rst
ixpk= 0, nxpk= 0, iat=1598,1606, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01, &end
#
# 94 ARG HA 95 VAL QG2 4.71
&rst
ixpk= 0, nxpk= 0, iat=1598, -1, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
igr2=1630,1631,1632,
&end
#
# 53 ALA HA 54 ASP QB 5.43
&rst
ixpk= 0, nxpk= 0, iat= 940, -1, r1= 1.30, r2= 1.80, r3= 6.09, r4= 6.59,
igr2= 952, 953,
&end
#
# 53 ALA HA 62 VAL QG1 4.99
&rst
ixpk= 0, nxpk= 0, iat= 940, -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr2=1067,1068,1069,
&end
#
# 35 GLY HA3 83 PHE HZ 5.31
&rst
ixpk= 0, nxpk= 0, iat= 667,1434, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81, &end
#
# 34 SER HB3 35 GLY HA3 5.42
&rst
ixpk= 0, nxpk= 0, iat= 658, 667, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92, &end
#
# 35 GLY HA3 83 PHE QD 5.50
&rst
ixpk= 0, nxpk= 0, iat= 667, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1430,1438,
&end
#
# 31 LEU QD2 59 GLY HA3 5.17
&rst
ixpk= 0, nxpk= 0, iat= -1,1036, r1= 1.30, r2= 1.80, r3= 6.21, r4= 6.71,
igr1= 619, 620, 621,
&end
#
# 30 GLY H 59 GLY HA3 4.58
&rst
ixpk= 0, nxpk= 0, iat= 599,1036, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08, &end
#
# 55 VAL QG2 61 GLY HA2 4.63
&rst
ixpk= 0, nxpk= 0, iat= -1,1056, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
igr1= 970, 971, 972,
&end
#
# 31 LEU H 59 GLY HA2 4.42
&rst
ixpk= 0, nxpk= 0, iat= 606,1035, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92, &end
#
# 30 GLY H 59 GLY HA2 4.03
&rst
ixpk= 0, nxpk= 0, iat= 599,1035, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53, &end
#
# 31 LEU HB3 59 GLY HA2 4.64
&rst
ixpk= 0, nxpk= 0, iat= 611,1035, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14, &end
#
# 31 LEU H 59 GLY HA3 5.36
&rst
ixpk= 0, nxpk= 0, iat= 606,1036, r1= 1.30, r2= 1.80, r3= 5.36, r4= 5.86, &end
#
# 31 LEU HB3 59 GLY HA3 4.71
&rst
ixpk= 0, nxpk= 0, iat= 611,1036, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21, &end
#
# 56 TYR QE 61 GLY HA3 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1057, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 986, 991,
&end
#
# 56 TYR QD 61 GLY HA3 5.25
&rst
ixpk= 0, nxpk= 0, iat= -1,1057, r1= 1.30, r2= 1.80, r3= 5.89, r4= 6.39,
igr1= 984, 993,
&end
#
# 61 GLY HA3 62 VAL HA 5.49
&rst
ixpk= 0, nxpk= 0, iat=1057,1063, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99, &end
#
# 88 GLY HA3 89 GLU HA 5.40
&rst
ixpk= 0, nxpk= 0, iat=1513,1519, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, &end
#
# 84 ARG QD 88 GLY HA3 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1513, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1452,1453,
&end
#
# 98 ASP H 99 GLY HA3 5.26
&rst
ixpk= 0, nxpk= 0, iat=1674,1689, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76, &end
#
# 54 ASP QB 62 VAL H 4.87
&rst
ixpk= 0, nxpk= 0, iat= -1,1061, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
igr1= 952, 953,
&end
#
# 54 ASP QB 62 VAL QG1 4.02
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,
igr1= 952, 953,
igr2=1067,1068,1069,
&end
#
# 54 ASP QB 55 VAL QG1 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 952, 953,
igr2= 966, 967, 968,
&end
#
# 37 TRP HB3 54 ASP QB 5.50
&rst
ixpk= 0, nxpk= 0, iat= 687, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 952, 953,
&end
#
# 53 ALA QB 54 ASP QB 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 942, 943, 944,
igr2= 952, 953,
&end
#
# 54 ASP QB 55 VAL HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 962, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 952, 953,
&end
#
# 98 ASP HB2 99 GLY HA2 5.35
&rst
ixpk= 0, nxpk= 0, iat=1678,1688, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85, &end
#
# 47 ALA H 48 GLY HA3 5.01
&rst
ixpk= 0, nxpk= 0, iat= 861, 874, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51, &end
#
# 48 GLY HA3 49 ASP HB3 5.37
&rst
ixpk= 0, nxpk= 0, iat= 874, 883, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87, &end
#
# 47 ALA QB 48 GLY HA3 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 874, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 865, 866, 867,
&end
#
# 42 ASP HA 45 ARG QD 5.08
&rst
ixpk= 0, nxpk= 0, iat= 778, -1, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,
igr2= 832, 833,
&end
#
# 45 ARG H 45 ARG QD 5.19
&rst
ixpk= 0, nxpk= 0, iat= 822, -1, r1= 1.30, r2= 1.80, r3= 5.83, r4= 6.33,
igr2= 832, 833,
&end
#
# 45 ARG QD 50 VAL QG1 5.12
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.90, r4= 7.40,
igr1= 832, 833,
igr2= 896, 897, 898,
&end
#
# 67 ARG HB2 67 ARG HD2 3.60
&rst
ixpk= 0, nxpk= 0, iat=1148,1154, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10, &end
#
# 67 ARG H 67 ARG HD2 4.93
&rst
ixpk= 0, nxpk= 0, iat=1144,1154, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43, &end
#
# 67 ARG HA 67 ARG HD2 4.41
&rst
ixpk= 0, nxpk= 0, iat=1146,1154, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91, &end
#
# 67 ARG H 67 ARG HD3 4.95
&rst
ixpk= 0, nxpk= 0, iat=1144,1155, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45, &end
#
# 76 ARG QD 77 LYS H 4.55
&rst
ixpk= 0, nxpk= 0, iat= -1,1319, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61,
igr1=1305,1306,
&end
#
# 73 TYR QE 76 ARG QD 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1258,1263,
igr2=1305,1306,
&end
#
# 73 TYR HA 76 ARG QD 3.40
&rst
ixpk= 0, nxpk= 0, iat=1250, -1, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32,
igr2=1305,1306,
&end
#
# 72 THR HA 76 ARG QD 5.05
&rst
ixpk= 0, nxpk= 0, iat=1236, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr2=1305,1306,
&end
#
# 76 ARG HG2 76 ARG QD 2.84
&rst
ixpk= 0, nxpk= 0, iat=1302, -1, r1= 1.30, r2= 1.80, r3= 3.19, r4= 3.69,
igr2=1305,1306,
&end
#
# 74 ALA H 76 ARG QD 5.38
&rst
ixpk= 0, nxpk= 0, iat=1269, -1, r1= 1.30, r2= 1.80, r3= 6.04, r4= 6.54,
igr2=1305,1306,
&end
#
# 20 ARG QD 21 ARG H 5.40
&rst
ixpk= 0, nxpk= 0, iat= -1, 452, r1= 1.30, r2= 1.80, r3= 6.06, r4= 6.56,
igr1= 438, 439,
&end
#
# 25 ARG QD 63 VAL H 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1077, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 526, 527,
&end
#
# 25 ARG HA 25 ARG QD 5.18
&rst
ixpk= 0, nxpk= 0, iat= 518, -1, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31,
igr2= 526, 527,
&end
#
# 52 TYR HA 52 TYR HB2 2.97
&rst
ixpk= 0, nxpk= 0, iat= 919, 921, r1= 1.30, r2= 1.80, r3= 2.97, r4= 3.47, &end
#
# 56 TYR HB3 57 ARG QD 4.75
&rst
ixpk= 0, nxpk= 0, iat= 981, -1, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83,
igr2=1007,1008,
&end
#
# 57 ARG HB3 57 ARG QD 3.05
&rst
ixpk= 0, nxpk= 0, iat=1002, -1, r1= 1.30, r2= 1.80, r3= 3.42, r4= 3.92,
igr2=1007,1008,
&end
#
# 57 ARG QG 57 ARG QD 2.70
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90,
igr1=1004,1005,
igr2=1007,1008,
&end
#
# 66 VAL QG2 67 ARG HD3 4.21
&rst
ixpk= 0, nxpk= 0, iat= -1,1155, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,
igr1=1138,1139,1140,
&end
#
# 67 ARG HA 67 ARG HD3 5.00
&rst
ixpk= 0, nxpk= 0, iat=1146,1155, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 73 TYR QD 76 ARG QD 4.45
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1=1256,1265,
igr2=1305,1306,
&end
#
# 76 ARG HG3 76 ARG QD 2.98
&rst
ixpk= 0, nxpk= 0, iat=1303, -1, r1= 1.30, r2= 1.80, r3= 3.34, r4= 3.84,
igr2=1305,1306,
&end
#
# 20 ARG HB2 20 ARG QD 3.91
&rst
ixpk= 0, nxpk= 0, iat= 432, -1, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89,
igr2= 438, 439,
&end
#
# 84 ARG QD 88 GLY H 4.91
&rst
ixpk= 0, nxpk= 0, iat= -1,1510, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01,
igr1=1452,1453,
&end
#
# 84 ARG QD 89 GLU H 5.33
&rst
ixpk= 0, nxpk= 0, iat= -1,1517, r1= 1.30, r2= 1.80, r3= 5.98, r4= 6.48,
igr1=1452,1453,
&end
#
# 84 ARG QD 90 THR HA 4.74
&rst
ixpk= 0, nxpk= 0, iat= -1,1534, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82,
igr1=1452,1453,
&end
#
# 84 ARG HA 84 ARG QD 4.06
&rst
ixpk= 0, nxpk= 0, iat=1444, -1, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06,
igr2=1452,1453,
&end
#
# 19 SER HB2 20 ARG QD 5.50
&rst
ixpk= 0, nxpk= 0, iat= 421, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 438, 439,
&end
#
# 26 VAL HA 98 ASP HB2 4.63
&rst
ixpk= 0, nxpk= 0, iat= 542,1678, r1= 1.30, r2= 1.80, r3= 4.63, r4= 5.13, &end
#
# 27 VAL H 98 ASP HB2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 556,1678, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 26 VAL QG1 98 ASP HB2 4.12
&rst
ixpk= 0, nxpk= 0, iat= -1,1678, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1= 546, 547, 548,
&end
#
# 25 ARG H 98 ASP HB2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 516,1678, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 98 ASP H 98 ASP HB3 3.88
&rst
ixpk= 0, nxpk= 0, iat=1674,1679, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38, &end
#
# 26 VAL HA 98 ASP HB3 4.31
&rst
ixpk= 0, nxpk= 0, iat= 542,1679, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81, &end
#
# 25 ARG HB2 98 ASP HB3 4.89
&rst
ixpk= 0, nxpk= 0, iat= 520,1679, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39, &end
#
# 68 LYS QG 68 LYS QE 3.10
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41,
igr1=1175,1176,
igr2=1181,1182,
&end
#
# 77 LYS QE 78 LEU H 4.78
&rst
ixpk= 0, nxpk= 0, iat= -1,1341, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,
igr1=1332,1333,
&end
#
# 74 ALA HA 78 LEU HB3 5.50
&rst
ixpk= 0, nxpk= 0, iat=1271,1346, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 36 SER H 39 ASP HB2 5.42
&rst
ixpk= 0, nxpk= 0, iat= 671, 727, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92, &end
#
# 68 LYS QD 68 LYS QE 3.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1=1178,1179,
igr2=1181,1182,
&end
#
# 39 ASP HB3 41 LYS H 5.38
&rst
ixpk= 0, nxpk= 0, iat= 728, 754, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88, &end
#
# 76 ARG HG3 77 LYS QE 2.98
&rst
ixpk= 0, nxpk= 0, iat=1303, -1, r1= 1.30, r2= 1.80, r3= 3.34, r4= 3.84,
igr2=1332,1333,
&end
#
# 77 LYS H 77 LYS QE 4.73
&rst
ixpk= 0, nxpk= 0, iat=1319, -1, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,
igr2=1332,1333,
&end
#
# 77 LYS QG 77 LYS QE 3.08
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38,
igr1=1326,1327,
igr2=1332,1333,
&end
#
# 73 TYR QD 77 LYS QE 4.75
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.98, r4= 6.48,
igr1=1256,1265,
igr2=1332,1333,
&end
#
# 76 ARG QD 77 LYS QE 3.18
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51,
igr1=1305,1306,
igr2=1332,1333,
&end
#
# 39 ASP HB3 83 PHE HZ 4.62
&rst
ixpk= 0, nxpk= 0, iat= 728,1434, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12, &end
#
# 96 LYS QE 98 ASP H 4.20
&rst
ixpk= 0, nxpk= 0, iat= -1,1674, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
igr1=1649,1650,
&end
#
# 79 ASP HB3 95 VAL QG2 4.70
&rst
ixpk= 0, nxpk= 0, iat=1365, -1, r1= 1.30, r2= 1.80, r3= 5.64, r4= 6.14,
igr2=1630,1631,1632,
&end
#
# 79 ASP HB3 95 VAL HB 4.27
&rst
ixpk= 0, nxpk= 0, iat=1365,1624, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77, &end
#
# 74 ALA HA 78 LEU HB2 5.35
&rst
ixpk= 0, nxpk= 0, iat=1271,1345, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85, &end
#
# 77 LYS HB2 78 LEU HB2 4.59
&rst
ixpk= 0, nxpk= 0, iat=1323,1345, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09, &end
#
# 44 MET HA 78 LEU HB2 5.04
&rst
ixpk= 0, nxpk= 0, iat= 807,1345, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54, &end
#
# 78 LEU HB3 78 LEU QD1 4.21
&rst
ixpk= 0, nxpk= 0, iat=1346, -1, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,
igr2=1350,1351,1352,
&end
#
# 37 TRP HA 40 LEU HB3 5.31
&rst
ixpk= 0, nxpk= 0, iat= 684, 740, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81, &end
#
# 65 PHE HB2 66 VAL QG1 5.50
&rst
ixpk= 0, nxpk= 0, iat=1112, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1134,1135,1136,
&end
#
# 65 PHE HB2 71 MET H 4.96
&rst
ixpk= 0, nxpk= 0, iat=1112,1217, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46, &end
#
# 96 LYS HA 96 LYS QE 5.30
&rst
ixpk= 0, nxpk= 0, iat=1638, -1, r1= 1.30, r2= 1.80, r3= 5.95, r4= 6.45,
igr2=1649,1650,
&end
#
# 82 LYS QE 90 THR HB 4.60
&rst
ixpk= 0, nxpk= 0, iat= -1,1536, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
igr1=1413,1414,
&end
#
# 82 LYS HG2 82 LYS QE 4.10
&rst
ixpk= 0, nxpk= 0, iat=1407, -1, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
igr2=1413,1414,
&end
#
# 82 LYS HG3 82 LYS QE 4.01
&rst
ixpk= 0, nxpk= 0, iat=1408, -1, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,
igr2=1413,1414,
&end
#
# 79 ASP HB3 80 ASN H 5.32
&rst
ixpk= 0, nxpk= 0, iat=1365,1372, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82, &end
#
# 79 ASP HB3 95 VAL H 5.15
&rst
ixpk= 0, nxpk= 0, iat=1365,1620, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65, &end
#
# 40 LEU HB2 41 LYS H 5.20
&rst
ixpk= 0, nxpk= 0, iat= 739, 754, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70, &end
#
# 40 LEU HB2 83 PHE QE 5.50
&rst
ixpk= 0, nxpk= 0, iat= 739, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1432,1436,
&end
#
# 44 MET HA 78 LEU HB3 4.07
&rst
ixpk= 0, nxpk= 0, iat= 807,1346, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57, &end
#
# 40 LEU HB3 44 MET HG2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 740, 812, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 94 ARG HD2 95 VAL H 5.50
&rst
ixpk= 0, nxpk= 0, iat=1606,1620, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 80 ASN H 94 ARG HD2 5.00
&rst
ixpk= 0, nxpk= 0, iat=1372,1606, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 80 ASN HA 94 ARG HD2 4.88
&rst
ixpk= 0, nxpk= 0, iat=1374,1606, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38, &end
#
# 94 ARG HA 94 ARG HD3 4.62
&rst
ixpk= 0, nxpk= 0, iat=1598,1607, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12, &end
#
# 94 ARG H 94 ARG HD3 5.50
&rst
ixpk= 0, nxpk= 0, iat=1596,1607, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 80 ASN H 94 ARG HD3 5.39
&rst
ixpk= 0, nxpk= 0, iat=1372,1607, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89, &end
#
# 83 PHE HB2 93 ILE HB 5.50
&rst
ixpk= 0, nxpk= 0, iat=1426,1581, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 49 ASP H 49 ASP HB2 3.83
&rst
ixpk= 0, nxpk= 0, iat= 878, 882, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33, &end
#
# 49 ASP HB2 66 VAL QG1 4.02
&rst
ixpk= 0, nxpk= 0, iat= 882, -1, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
igr2=1134,1135,1136,
&end
#
# 93 ILE HB 95 VAL H 4.93
&rst
ixpk= 0, nxpk= 0, iat=1581,1620, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43, &end
#
# 93 ILE HB 94 ARG H 4.21
&rst
ixpk= 0, nxpk= 0, iat=1581,1596, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71, &end
#
# 31 LEU QD1 93 ILE HB 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1581, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 615, 616, 617,
&end
#
# 31 LEU HB2 59 GLY HA3 5.16
&rst
ixpk= 0, nxpk= 0, iat= 610,1036, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66, &end
#
# 31 LEU HB2 59 GLY HA2 5.08
&rst
ixpk= 0, nxpk= 0, iat= 610,1035, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58, &end
#
# 49 ASP HB2 50 VAL H 4.22
&rst
ixpk= 0, nxpk= 0, iat= 882, 890, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72, &end
#
# 49 ASP HB3 50 VAL H 4.90
&rst
ixpk= 0, nxpk= 0, iat= 883, 890, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40, &end
#
# 49 ASP HB3 67 ARG H 5.50
&rst
ixpk= 0, nxpk= 0, iat= 883,1144, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 65 PHE QD 70 ASP HB2 5.18
&rst
ixpk= 0, nxpk= 0, iat= -1,1209, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31,
igr1=1116,1124,
&end
#
# 65 PHE HB2 70 ASP HB2 4.90
&rst
ixpk= 0, nxpk= 0, iat=1112,1209, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40, &end
#
# 70 ASP HB3 71 MET H 5.03
&rst
ixpk= 0, nxpk= 0, iat=1210,1217, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53, &end
#
# 65 PHE QD 70 ASP HB3 5.01
&rst
ixpk= 0, nxpk= 0, iat= -1,1210, r1= 1.30, r2= 1.80, r3= 5.62, r4= 6.12,
igr1=1116,1124,
&end
#
# 48 GLY HA3 70 ASP HB3 4.75
&rst
ixpk= 0, nxpk= 0, iat= 874,1210, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25, &end
#
# 67 ARG HB3 70 ASP HB3 5.50
&rst
ixpk= 0, nxpk= 0, iat=1149,1210, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 47 ALA QB 70 ASP HB3 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1210, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 865, 866, 867,
&end
#
# 49 ASP H 70 ASP HB3 5.50
&rst
ixpk= 0, nxpk= 0, iat= 878,1210, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 49 ASP H 70 ASP HB2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 878,1209, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 66 VAL H 70 ASP HB2 5.42
&rst
ixpk= 0, nxpk= 0, iat=1128,1209, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92, &end
#
# 67 ARG HB3 70 ASP HB2 5.09
&rst
ixpk= 0, nxpk= 0, iat=1149,1209, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59, &end
#
# 67 ARG H 70 ASP HB3 5.50
&rst
ixpk= 0, nxpk= 0, iat=1144,1210, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 92 TYR HB3 93 ILE H 4.20
&rst
ixpk= 0, nxpk= 0, iat=1561,1577, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 91 ALA QB 92 TYR HB2 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1560, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1550,1551,1552,
&end
#
# 92 TYR HB2 93 ILE H 4.92
&rst
ixpk= 0, nxpk= 0, iat=1560,1577, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42, &end
#
# 82 LYS HA 92 TYR HB2 5.50
&rst
ixpk= 0, nxpk= 0, iat=1402,1560, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 92 TYR HB3 93 ILE HG12 5.50
&rst
ixpk= 0, nxpk= 0, iat=1561,1587, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 55 VAL QG2 56 TYR HB2 4.39
&rst
ixpk= 0, nxpk= 0, iat= -1, 980, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77,
igr1= 970, 971, 972,
&end
#
# 73 TYR HB2 76 ARG HG2 5.50
&rst
ixpk= 0, nxpk= 0, iat=1252,1302, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 73 TYR HB2 74 ALA H 4.39
&rst
ixpk= 0, nxpk= 0, iat=1252,1269, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89, &end
#
# 70 ASP HA 73 TYR HB2 4.51
&rst
ixpk= 0, nxpk= 0, iat=1207,1252, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01, &end
#
# 47 ALA QB 73 TYR HB2 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1252, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 865, 866, 867,
&end
#
# 73 TYR HB3 74 ALA H 4.62
&rst
ixpk= 0, nxpk= 0, iat=1253,1269, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12, &end
#
# 73 TYR H 73 TYR HB3 4.02
&rst
ixpk= 0, nxpk= 0, iat=1248,1253, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52, &end
#
# 73 TYR HB3 74 ALA QB 5.50
&rst
ixpk= 0, nxpk= 0, iat=1253, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1273,1274,1275,
&end
#
# 80 ASN HB2 80 ASN HD21 3.84
&rst
ixpk= 0, nxpk= 0, iat=1376,1382, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34, &end
#
# 80 ASN HB2 94 ARG HA 5.23
&rst
ixpk= 0, nxpk= 0, iat=1376,1598, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73, &end
#
# 80 ASN HB2 81 THR QG2 5.50
&rst
ixpk= 0, nxpk= 0, iat=1376, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1392,1393,1394,
&end
#
# 80 ASN HB2 80 ASN HD22 4.03
&rst
ixpk= 0, nxpk= 0, iat=1376,1381, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53, &end
#
# 80 ASN HB3 80 ASN HD21 4.01
&rst
ixpk= 0, nxpk= 0, iat=1377,1382, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51, &end
#
# 80 ASN H 80 ASN HB3 4.03
&rst
ixpk= 0, nxpk= 0, iat=1372,1377, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53, &end
#
# 80 ASN HB3 80 ASN HD22 4.09
&rst
ixpk= 0, nxpk= 0, iat=1377,1381, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59, &end
#
# 89 GLU HG2 90 THR H 4.72
&rst
ixpk= 0, nxpk= 0, iat=1524,1532, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, &end
#
# 89 GLU HA 89 GLU HG2 4.18
&rst
ixpk= 0, nxpk= 0, iat=1519,1524, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68, &end
#
# 88 GLY H 89 GLU HG3 5.50
&rst
ixpk= 0, nxpk= 0, iat=1510,1525, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 89 GLU H 89 GLU HG3 4.63
&rst
ixpk= 0, nxpk= 0, iat=1517,1525, r1= 1.30, r2= 1.80, r3= 4.63, r4= 5.13, &end
#
# 24 ASN HB2 68 LYS HA 5.00
&rst
ixpk= 0, nxpk= 0, iat= 506,1170, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 69 GLU HG2 70 ASP HA 3.67
&rst
ixpk= 0, nxpk= 0, iat=1197,1207, r1= 1.30, r2= 1.80, r3= 3.67, r4= 4.17, &end
#
# 69 GLU HG2 70 ASP H 4.81
&rst
ixpk= 0, nxpk= 0, iat=1197,1205, r1= 1.30, r2= 1.80, r3= 4.81, r4= 5.31, &end
#
# 69 GLU HA 69 GLU HG2 3.69
&rst
ixpk= 0, nxpk= 0, iat=1192,1197, r1= 1.30, r2= 1.80, r3= 3.69, r4= 4.19, &end
#
# 68 LYS QG 69 GLU HG2 5.11
&rst
ixpk= 0, nxpk= 0, iat= -1,1197, r1= 1.30, r2= 1.80, r3= 5.74, r4= 6.24,
igr1=1175,1176,
&end
#
# 69 GLU HG3 70 ASP H 4.68
&rst
ixpk= 0, nxpk= 0, iat=1198,1205, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18, &end
#
# 69 GLU HA 69 GLU HG3 3.85
&rst
ixpk= 0, nxpk= 0, iat=1192,1198, r1= 1.30, r2= 1.80, r3= 3.85, r4= 4.35, &end
#
# 96 LYS H 96 LYS HB2 4.18
&rst
ixpk= 0, nxpk= 0, iat=1636,1640, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68, &end
#
# 96 LYS HB2 97 VAL H 3.75
&rst
ixpk= 0, nxpk= 0, iat=1640,1658, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25, &end
#
# 27 VAL H 96 LYS HB2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 556,1640, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 27 VAL H 96 LYS HB3 5.32
&rst
ixpk= 0, nxpk= 0, iat= 556,1641, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82, &end
#
# 96 LYS H 96 LYS HB3 4.20
&rst
ixpk= 0, nxpk= 0, iat=1636,1641, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 96 LYS HB3 97 VAL H 3.87
&rst
ixpk= 0, nxpk= 0, iat=1641,1658, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37, &end
#
# 27 VAL QG1 96 LYS HB3 3.99
&rst
ixpk= 0, nxpk= 0, iat= -1,1641, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,
igr1= 562, 563, 564,
&end
#
# 46 GLU HG2 47 ALA H 4.34
&rst
ixpk= 0, nxpk= 0, iat= 853, 861, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84, &end
#
# 46 GLU HA 46 GLU HG2 3.62
&rst
ixpk= 0, nxpk= 0, iat= 848, 853, r1= 1.30, r2= 1.80, r3= 3.62, r4= 4.12, &end
#
# 62 VAL HB 63 VAL H 3.67
&rst
ixpk= 0, nxpk= 0, iat=1065,1077, r1= 1.30, r2= 1.80, r3= 3.67, r4= 4.17, &end
#
# 25 ARG QD 62 VAL HB 4.17
&rst
ixpk= 0, nxpk= 0, iat= -1,1065, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,
igr1= 526, 527,
&end
#
# 46 GLU HG2 78 LEU HG 4.84
&rst
ixpk= 0, nxpk= 0, iat= 853,1348, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34, &end
#
# 46 GLU HG2 78 LEU QD1 4.70
&rst
ixpk= 0, nxpk= 0, iat= 853, -1, r1= 1.30, r2= 1.80, r3= 5.64, r4= 6.14,
igr2=1350,1351,1352,
&end
#
# 69 GLU HG3 70 ASP HB2 5.35
&rst
ixpk= 0, nxpk= 0, iat=1198,1209, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85, &end
#
# 23 GLU HA 23 GLU HG2 3.75
&rst
ixpk= 0, nxpk= 0, iat= 489, 494, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25, &end
#
# 46 GLU HA 46 GLU HG3 3.85
&rst
ixpk= 0, nxpk= 0, iat= 848, 854, r1= 1.30, r2= 1.80, r3= 3.85, r4= 4.35, &end
#
# 22 SER HB3 23 GLU HG2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 481, 494, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 46 GLU HB3 46 GLU HG3 2.59
&rst
ixpk= 0, nxpk= 0, iat= 851, 854, r1= 1.30, r2= 1.80, r3= 2.59, r4= 3.09, &end
#
# 46 GLU HG3 78 LEU QD1 4.75
&rst
ixpk= 0, nxpk= 0, iat= 854, -1, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,
igr2=1350,1351,1352,
&end
#
# 23 GLU HG2 24 ASN H 4.89
&rst
ixpk= 0, nxpk= 0, iat= 494, 502, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39, &end
#
# 46 GLU HG3 78 LEU HG 4.50
&rst
ixpk= 0, nxpk= 0, iat= 854,1348, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 23 GLU H 23 GLU HG3 4.17
&rst
ixpk= 0, nxpk= 0, iat= 487, 495, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67, &end
#
# 23 GLU HG3 24 ASN H 4.94
&rst
ixpk= 0, nxpk= 0, iat= 495, 502, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44, &end
#
# 23 GLU HA 23 GLU HG3 3.81
&rst
ixpk= 0, nxpk= 0, iat= 489, 495, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31, &end
#
# 22 SER HB3 23 GLU HG3 5.50
&rst
ixpk= 0, nxpk= 0, iat= 481, 495, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 54 ASP H 62 VAL HB 4.69
&rst
ixpk= 0, nxpk= 0, iat= 948,1065, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19, &end
#
# 55 VAL HB 56 TYR H 3.98
&rst
ixpk= 0, nxpk= 0, iat= 964, 976, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48, &end
#
# 34 SER HB3 87 GLU HG2 4.41
&rst
ixpk= 0, nxpk= 0, iat= 658,1502, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91, &end
#
# 87 GLU HG2 88 GLY H 4.76
&rst
ixpk= 0, nxpk= 0, iat=1502,1510, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26, &end
#
# 34 SER H 87 GLU HG2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 653,1502, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 86 HIS HD2 87 GLU HG3 5.00
&rst
ixpk= 0, nxpk= 0, iat=1491,1503, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 87 GLU HA 87 GLU HG3 3.78
&rst
ixpk= 0, nxpk= 0, iat=1497,1503, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28, &end
#
# 34 SER HB3 87 GLU HG3 4.58
&rst
ixpk= 0, nxpk= 0, iat= 658,1503, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08, &end
#
# 55 VAL HB 61 GLY HA3 5.15
&rst
ixpk= 0, nxpk= 0, iat= 964,1057, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65, &end
#
# 37 TRP H 55 VAL HB 4.59
&rst
ixpk= 0, nxpk= 0, iat= 682, 964, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09, &end
#
# 31 LEU QD2 55 VAL HB 5.32
&rst
ixpk= 0, nxpk= 0, iat= -1, 964, r1= 1.30, r2= 1.80, r3= 6.39, r4= 6.89,
igr1= 619, 620, 621,
&end
#
# 64 GLU H 64 GLU QG 4.20
&rst
ixpk= 0, nxpk= 0, iat=1093, -1, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
igr2=1100,1101,
&end
#
# 64 GLU QG 65 PHE HA 4.07
&rst
ixpk= 0, nxpk= 0, iat= -1,1110, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07,
igr1=1100,1101,
&end
#
# 64 GLU QG 65 PHE QD 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1100,1101,
igr2=1116,1124,
&end
#
# 37 TRP HA 55 VAL HB 5.45
&rst
ixpk= 0, nxpk= 0, iat= 684, 964, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95, &end
#
# 79 ASP HB2 95 VAL HB 4.44
&rst
ixpk= 0, nxpk= 0, iat=1364,1624, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94, &end
#
# 55 VAL H 55 VAL HB 3.62
&rst
ixpk= 0, nxpk= 0, iat= 960, 964, r1= 1.30, r2= 1.80, r3= 3.62, r4= 4.12, &end
#
# 63 VAL H 63 VAL HB 4.12
&rst
ixpk= 0, nxpk= 0, iat=1077,1081, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62, &end
#
# 79 ASP H 95 VAL HB 4.18
&rst
ixpk= 0, nxpk= 0, iat=1360,1624, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68, &end
#
# 75 VAL QG1 95 VAL HB 3.58
&rst
ixpk= 0, nxpk= 0, iat= -1,1624, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,
igr1=1285,1286,1287,
&end
#
# 75 VAL H 95 VAL HB 5.41
&rst
ixpk= 0, nxpk= 0, iat=1279,1624, r1= 1.30, r2= 1.80, r3= 5.41, r4= 5.91, &end
#
# 44 MET HG2 63 VAL HB 5.50
&rst
ixpk= 0, nxpk= 0, iat= 812,1081, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 28 VAL HB 31 LEU QD1 5.50
&rst
ixpk= 0, nxpk= 0, iat= 576, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 615, 616, 617,
&end
#
# 28 VAL H 28 VAL HB 3.80
&rst
ixpk= 0, nxpk= 0, iat= 572, 576, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end
#
# 28 VAL HB 31 LEU QD2 4.49
&rst
ixpk= 0, nxpk= 0, iat= 576, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr2= 619, 620, 621,
&end
#
# 27 VAL HA 28 VAL HB 4.66
&rst
ixpk= 0, nxpk= 0, iat= 558, 576, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16, &end
#
# 26 VAL HB 96 LYS H 4.65
&rst
ixpk= 0, nxpk= 0, iat= 544,1636, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15, &end
#
# 26 VAL HB 65 PHE QE 5.33
&rst
ixpk= 0, nxpk= 0, iat= 544, -1, r1= 1.30, r2= 1.80, r3= 5.98, r4= 6.48,
igr2=1118,1122,
&end
#
# 26 VAL HB 95 VAL HA 4.80
&rst
ixpk= 0, nxpk= 0, iat= 544,1622, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, &end
#
# 26 VAL HB 97 VAL HA 4.49
&rst
ixpk= 0, nxpk= 0, iat= 544,1660, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99, &end
#
# 26 VAL HB 27 VAL H 3.88
&rst
ixpk= 0, nxpk= 0, iat= 544, 556, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38, &end
#
# 50 VAL HB 51 CYS H 5.02
&rst
ixpk= 0, nxpk= 0, iat= 894, 906, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52, &end
#
# 50 VAL H 50 VAL HB 3.98
&rst
ixpk= 0, nxpk= 0, iat= 890, 894, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48, &end
#
# 40 LEU QD1 44 MET HG3 4.32
&rst
ixpk= 0, nxpk= 0, iat= -1, 813, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,
igr1= 744, 745, 746,
&end
#
# 26 VAL HB 74 ALA QB 5.50
&rst
ixpk= 0, nxpk= 0, iat= 544, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1273,1274,1275,
&end
#
# 27 VAL H 27 VAL HB 3.69
&rst
ixpk= 0, nxpk= 0, iat= 556, 560, r1= 1.30, r2= 1.80, r3= 3.69, r4= 4.19, &end
#
# 27 VAL HB 98 ASP HA 4.35
&rst
ixpk= 0, nxpk= 0, iat= 560,1676, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85, &end
#
# 27 VAL HB 96 LYS QG 4.10
&rst
ixpk= 0, nxpk= 0, iat= 560, -1, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
igr2=1643,1644,
&end
#
# 25 ARG HB2 98 ASP HB2 4.61
&rst
ixpk= 0, nxpk= 0, iat= 520,1678, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11, &end
#
# 44 MET HG3 65 PHE QE 5.50
&rst
ixpk= 0, nxpk= 0, iat= 813, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1118,1122,
&end
#
# 27 VAL HB 96 LYS QE 5.50
&rst
ixpk= 0, nxpk= 0, iat= 560, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1649,1650,
&end
#
# 77 LYS H 77 LYS HB2 3.73
&rst
ixpk= 0, nxpk= 0, iat=1319,1323, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23, &end
#
# 76 ARG H 77 LYS HB2 5.50
&rst
ixpk= 0, nxpk= 0, iat=1295,1323, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 73 TYR QD 77 LYS HB2 4.80
&rst
ixpk= 0, nxpk= 0, iat= -1,1323, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1=1256,1265,
&end
#
# 73 TYR QE 77 LYS HB2 5.13
&rst
ixpk= 0, nxpk= 0, iat= -1,1323, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26,
igr1=1258,1263,
&end
#
# 74 ALA HA 77 LYS HB2 4.68
&rst
ixpk= 0, nxpk= 0, iat=1271,1323, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18, &end
#
# 77 LYS HB2 77 LYS QE 4.68
&rst
ixpk= 0, nxpk= 0, iat=1323, -1, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75,
igr2=1332,1333,
&end
#
# 77 LYS HB2 78 LEU QD1 4.52
&rst
ixpk= 0, nxpk= 0, iat=1323, -1, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,
igr2=1350,1351,1352,
&end
#
# 73 TYR QD 77 LYS HB3 5.04
&rst
ixpk= 0, nxpk= 0, iat= -1,1324, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
igr1=1256,1265,
&end
#
# 77 LYS HB3 78 LEU HA 5.50
&rst
ixpk= 0, nxpk= 0, iat=1324,1343, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 77 LYS HB3 77 LYS QE 4.75
&rst
ixpk= 0, nxpk= 0, iat=1324, -1, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83,
igr2=1332,1333,
&end
#
# 77 LYS HB2 77 LYS HD2 3.85
&rst
ixpk= 0, nxpk= 0, iat=1323,1329, r1= 1.30, r2= 1.80, r3= 3.85, r4= 4.35, &end
#
# 74 ALA HA 77 LYS HB3 5.02
&rst
ixpk= 0, nxpk= 0, iat=1271,1324, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52, &end
#
# 68 LYS HA 71 MET HB2 4.48
&rst
ixpk= 0, nxpk= 0, iat=1170,1221, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98, &end
#
# 65 PHE QD 71 MET HB2 5.23
&rst
ixpk= 0, nxpk= 0, iat= -1,1221, r1= 1.30, r2= 1.80, r3= 5.87, r4= 6.37,
igr1=1116,1124,
&end
#
# 41 LYS HB2 50 VAL QG2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 758, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 900, 901, 902,
&end
#
# 41 LYS HB3 50 VAL QG2 5.06
&rst
ixpk= 0, nxpk= 0, iat= 759, -1, r1= 1.30, r2= 1.80, r3= 6.08, r4= 6.58,
igr2= 900, 901, 902,
&end
#
# 43 HIS HB3 44 MET H 4.98
&rst
ixpk= 0, nxpk= 0, iat= 793, 805, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48, &end
#
# 70 ASP H 71 MET HB2 5.01
&rst
ixpk= 0, nxpk= 0, iat=1205,1221, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51, &end
#
# 43 HIS HB2 83 PHE QE 5.50
&rst
ixpk= 0, nxpk= 0, iat= 792, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1432,1436,
&end
#
# 43 HIS HB2 83 PHE QD 5.50
&rst
ixpk= 0, nxpk= 0, iat= 792, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1430,1438,
&end
#
# 40 LEU QD1 43 HIS HB2 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 792, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 744, 745, 746,
&end
#
# 43 HIS HB3 83 PHE QD 5.50
&rst
ixpk= 0, nxpk= 0, iat= 793, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1430,1438,
&end
#
# 84 ARG HB2 90 THR HA 5.44
&rst
ixpk= 0, nxpk= 0, iat=1446,1534, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94, &end
#
# 83 PHE HA 84 ARG HB2 5.50
&rst
ixpk= 0, nxpk= 0, iat=1424,1446, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 84 ARG HB2 84 ARG QD 3.94
&rst
ixpk= 0, nxpk= 0, iat=1446, -1, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92,
igr2=1452,1453,
&end
#
# 84 ARG HB3 90 THR HA 5.50
&rst
ixpk= 0, nxpk= 0, iat=1447,1534, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 84 ARG HB3 84 ARG QD 4.04
&rst
ixpk= 0, nxpk= 0, iat=1447, -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
igr2=1452,1453,
&end
#
# 82 LYS HB3 83 PHE HA 4.91
&rst
ixpk= 0, nxpk= 0, iat=1405,1424, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41, &end
#
# 82 LYS HB3 82 LYS QE 4.58
&rst
ixpk= 0, nxpk= 0, iat=1405, -1, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
igr2=1413,1414,
&end
#
# 82 LYS HB3 83 PHE H 5.08
&rst
ixpk= 0, nxpk= 0, iat=1405,1422, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58, &end
#
# 97 VAL H 97 VAL HB 3.31
&rst
ixpk= 0, nxpk= 0, iat=1658,1662, r1= 1.30, r2= 1.80, r3= 3.31, r4= 3.81, &end
#
# 67 ARG HB3 70 ASP H 5.28
&rst
ixpk= 0, nxpk= 0, iat=1149,1205, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78, &end
#
# 68 LYS HB3 68 LYS QG 2.99
&rst
ixpk= 0, nxpk= 0, iat=1173, -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr2=1175,1176,
&end
#
# 82 LYS HB2 83 PHE H 5.02
&rst
ixpk= 0, nxpk= 0, iat=1404,1422, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52, &end
#
# 81 THR HA 82 LYS HB2 4.84
&rst
ixpk= 0, nxpk= 0, iat=1388,1404, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34, &end
#
# 82 LYS HB2 82 LYS QE 4.63
&rst
ixpk= 0, nxpk= 0, iat=1404, -1, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,
igr2=1413,1414,
&end
#
# 82 LYS HB3 92 TYR QE 4.80
&rst
ixpk= 0, nxpk= 0, iat=1405, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr2=1566,1571,
&end
#
# 82 LYS HB3 92 TYR HA 5.50
&rst
ixpk= 0, nxpk= 0, iat=1405,1558, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 68 LYS H 68 LYS HB2 4.09
&rst
ixpk= 0, nxpk= 0, iat=1168,1172, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59, &end
#
# 68 LYS HB2 68 LYS QD 3.15
&rst
ixpk= 0, nxpk= 0, iat=1172, -1, r1= 1.30, r2= 1.80, r3= 3.54, r4= 4.04,
igr2=1178,1179,
&end
#
# 68 LYS HB2 69 GLU H 5.01
&rst
ixpk= 0, nxpk= 0, iat=1172,1190, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51, &end
#
# 68 LYS HB2 68 LYS QE 5.33
&rst
ixpk= 0, nxpk= 0, iat=1172, -1, r1= 1.30, r2= 1.80, r3= 5.98, r4= 6.48,
igr2=1181,1182,
&end
#
# 67 ARG HB3 68 LYS H 4.92
&rst
ixpk= 0, nxpk= 0, iat=1149,1168, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42, &end
#
# 65 PHE HA 66 VAL HB 5.37
&rst
ixpk= 0, nxpk= 0, iat=1110,1132, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87, &end
#
# 66 VAL HB 67 ARG H 4.58
&rst
ixpk= 0, nxpk= 0, iat=1132,1144, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08, &end
#
# 49 ASP HB3 66 VAL HB 4.14
&rst
ixpk= 0, nxpk= 0, iat= 883,1132, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64, &end
#
# 66 VAL HB 67 ARG HD2 5.50
&rst
ixpk= 0, nxpk= 0, iat=1132,1154, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 75 VAL H 75 VAL HB 3.35
&rst
ixpk= 0, nxpk= 0, iat=1279,1283, r1= 1.30, r2= 1.80, r3= 3.35, r4= 3.85, &end
#
# 72 THR HA 75 VAL HB 4.39
&rst
ixpk= 0, nxpk= 0, iat=1236,1283, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89, &end
#
# 74 ALA QB 75 VAL HB 4.98
&rst
ixpk= 0, nxpk= 0, iat= -1,1283, r1= 1.30, r2= 1.80, r3= 5.98, r4= 6.48,
igr1=1273,1274,1275,
&end
#
# 67 ARG HB2 70 ASP H 5.48
&rst
ixpk= 0, nxpk= 0, iat=1148,1205, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98, &end
#
# 44 MET H 44 MET HB2 3.41
&rst
ixpk= 0, nxpk= 0, iat= 805, 809, r1= 1.30, r2= 1.80, r3= 3.41, r4= 3.91, &end
#
# 44 MET HB2 50 VAL QG1 4.65
&rst
ixpk= 0, nxpk= 0, iat= 809, -1, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08,
igr2= 896, 897, 898,
&end
#
# 65 PHE QD 71 MET HG2 4.95
&rst
ixpk= 0, nxpk= 0, iat= -1,1224, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
igr1=1116,1124,
&end
#
# 71 MET HG2 74 ALA H 5.50
&rst
ixpk= 0, nxpk= 0, iat=1224,1269, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 71 MET HG2 72 THR H 4.90
&rst
ixpk= 0, nxpk= 0, iat=1224,1234, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40, &end
#
# 71 MET H 71 MET HG2 4.33
&rst
ixpk= 0, nxpk= 0, iat=1217,1224, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83, &end
#
# 71 MET HG2 72 THR HA 4.46
&rst
ixpk= 0, nxpk= 0, iat=1224,1236, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96, &end
#
# 24 ASN HB2 71 MET HG3 5.50
&rst
ixpk= 0, nxpk= 0, iat= 506,1225, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 65 PHE H 71 MET HG3 5.20
&rst
ixpk= 0, nxpk= 0, iat=1108,1225, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70, &end
#
# 71 MET H 71 MET HG3 5.50
&rst
ixpk= 0, nxpk= 0, iat=1217,1225, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 71 MET HA 71 MET HG3 4.22
&rst
ixpk= 0, nxpk= 0, iat=1219,1225, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72, &end
#
# 71 MET HG3 72 THR H 5.50
&rst
ixpk= 0, nxpk= 0, iat=1225,1234, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 73 TYR QD 76 ARG QB 5.46
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.88, r4= 7.38,
igr1=1256,1265,
igr2=1299,1300,
&end
#
# 76 ARG QB 77 LYS QE 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1299,1300,
igr2=1332,1333,
&end
#
# 64 GLU H 64 GLU HB3 4.08
&rst
ixpk= 0, nxpk= 0, iat=1093,1098, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58, &end
#
# 87 GLU HB2 88 GLY H 5.50
&rst
ixpk= 0, nxpk= 0, iat=1499,1510, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 94 ARG QB 95 VAL H 5.29
&rst
ixpk= 0, nxpk= 0, iat= -1,1620, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr1=1600,1601,
&end
#
# 93 ILE HA 94 ARG QB 5.50
&rst
ixpk= 0, nxpk= 0, iat=1579, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1600,1601,
&end
#
# 29 SER HB3 94 ARG QB 5.50
&rst
ixpk= 0, nxpk= 0, iat= 593, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1600,1601,
&end
#
# 46 GLU HB2 78 LEU HG 4.43
&rst
ixpk= 0, nxpk= 0, iat= 850,1348, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93, &end
#
# 46 GLU HB2 78 LEU QD1 4.55
&rst
ixpk= 0, nxpk= 0, iat= 850, -1, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96,
igr2=1350,1351,1352,
&end
#
# 45 ARG HB2 50 VAL H 5.50
&rst
ixpk= 0, nxpk= 0, iat= 826, 890, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 45 ARG HB2 50 VAL QG1 4.64
&rst
ixpk= 0, nxpk= 0, iat= 826, -1, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07,
igr2= 896, 897, 898,
&end
#
# 46 GLU HB3 47 ALA H 3.93
&rst
ixpk= 0, nxpk= 0, iat= 851, 861, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, &end
#
# 46 GLU HB3 78 LEU QD1 4.54
&rst
ixpk= 0, nxpk= 0, iat= 851, -1, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95,
igr2=1350,1351,1352,
&end
#
# 45 ARG HB3 50 VAL QG1 4.88
&rst
ixpk= 0, nxpk= 0, iat= 827, -1, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36,
igr2= 896, 897, 898,
&end
#
# 34 SER HB3 87 GLU HB3 4.97
&rst
ixpk= 0, nxpk= 0, iat= 658,1500, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47, &end
#
# 45 ARG HB2 45 ARG QD 3.97
&rst
ixpk= 0, nxpk= 0, iat= 826, -1, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96,
igr2= 832, 833,
&end
#
# 45 ARG HB3 45 ARG QD 3.93
&rst
ixpk= 0, nxpk= 0, iat= 827, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr2= 832, 833,
&end
#
# 23 GLU HB3 24 ASN HD21 5.50
&rst
ixpk= 0, nxpk= 0, iat= 492, 512, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 51 CYS HB2 52 TYR H 5.50
&rst
ixpk= 0, nxpk= 0, iat= 910, 917, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 51 CYS HB3 66 VAL QG1 4.36
&rst
ixpk= 0, nxpk= 0, iat= 911, -1, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,
igr2=1134,1135,1136,
&end
#
# 50 VAL HA 51 CYS HB3 5.29
&rst
ixpk= 0, nxpk= 0, iat= 892, 911, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79, &end
#
# 23 GLU H 23 GLU HB2 4.19
&rst
ixpk= 0, nxpk= 0, iat= 487, 491, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69, &end
#
# 57 ARG HB3 58 ASP HB2 5.18
&rst
ixpk= 0, nxpk= 0, iat=1002,1025, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68, &end
#
# 68 LYS H 68 LYS QD 4.62
&rst
ixpk= 0, nxpk= 0, iat=1168, -1, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,
igr2=1178,1179,
&end
#
# 68 LYS HA 68 LYS QD 4.16
&rst
ixpk= 0, nxpk= 0, iat=1170, -1, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,
igr2=1178,1179,
&end
#
# 96 LYS H 96 LYS QD 4.57
&rst
ixpk= 0, nxpk= 0, iat=1636, -1, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63,
igr2=1646,1647,
&end
#
# 96 LYS HA 96 LYS QD 4.08
&rst
ixpk= 0, nxpk= 0, iat=1638, -1, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
igr2=1646,1647,
&end
#
# 81 THR HA 82 LYS QD 5.50
&rst
ixpk= 0, nxpk= 0, iat=1388, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1410,1411,
&end
#
# 50 VAL QG2 51 CYS HB3 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 911, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 900, 901, 902,
&end
#
# 51 CYS HB3 52 TYR H 5.43
&rst
ixpk= 0, nxpk= 0, iat= 911, 917, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93, &end
#
# 57 ARG HB2 57 ARG QD 3.88
&rst
ixpk= 0, nxpk= 0, iat=1001, -1, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86,
igr2=1007,1008,
&end
#
# 23 GLU HB3 24 ASN H 3.55
&rst
ixpk= 0, nxpk= 0, iat= 492, 502, r1= 1.30, r2= 1.80, r3= 3.55, r4= 4.05, &end
#
# 23 GLU HB3 24 ASN HD22 3.84
&rst
ixpk= 0, nxpk= 0, iat= 492, 511, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34, &end
#
# 23 GLU HB3 24 ASN HB3 3.87
&rst
ixpk= 0, nxpk= 0, iat= 492, 507, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37, &end
#
# 68 LYS QD 69 GLU H 5.41
&rst
ixpk= 0, nxpk= 0, iat= -1,1190, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1178,1179,
&end
#
# 24 ASN HB3 68 LYS QD 4.65
&rst
ixpk= 0, nxpk= 0, iat= 507, -1, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
igr2=1178,1179,
&end
#
# 96 LYS HB2 96 LYS QD 2.71
&rst
ixpk= 0, nxpk= 0, iat=1640, -1, r1= 1.30, r2= 1.80, r3= 3.04, r4= 3.54,
igr2=1646,1647,
&end
#
# 96 LYS QD 97 VAL H 5.01
&rst
ixpk= 0, nxpk= 0, iat= -1,1658, r1= 1.30, r2= 1.80, r3= 5.62, r4= 6.12,
igr1=1646,1647,
&end
#
# 96 LYS QD 98 ASP H 4.75
&rst
ixpk= 0, nxpk= 0, iat= -1,1674, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83,
igr1=1646,1647,
&end
#
# 25 ARG HG2 64 GLU HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= 523,1095, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 25 ARG H 25 ARG HG2 5.48
&rst
ixpk= 0, nxpk= 0, iat= 516, 523, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98, &end
#
# 25 ARG H 25 ARG HG3 5.50
&rst
ixpk= 0, nxpk= 0, iat= 516, 524, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 25 ARG HG3 64 GLU HA 5.09
&rst
ixpk= 0, nxpk= 0, iat= 524,1095, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59, &end
#
# 25 ARG HG3 26 VAL H 4.57
&rst
ixpk= 0, nxpk= 0, iat= 524, 540, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07, &end
#
# 69 GLU HB2 70 ASP H 4.63
&rst
ixpk= 0, nxpk= 0, iat=1194,1205, r1= 1.30, r2= 1.80, r3= 4.63, r4= 5.13, &end
#
# 77 LYS H 77 LYS HD2 5.03
&rst
ixpk= 0, nxpk= 0, iat=1319,1329, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53, &end
#
# 73 TYR QE 77 LYS HD2 4.96
&rst
ixpk= 0, nxpk= 0, iat= -1,1329, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07,
igr1=1258,1263,
&end
#
# 77 LYS HA 77 LYS HD2 3.77
&rst
ixpk= 0, nxpk= 0, iat=1321,1329, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27, &end
#
# 73 TYR QD 77 LYS HD3 4.98
&rst
ixpk= 0, nxpk= 0, iat= -1,1330, r1= 1.30, r2= 1.80, r3= 5.59, r4= 6.09,
igr1=1256,1265,
&end
#
# 73 TYR QE 77 LYS HD3 4.95
&rst
ixpk= 0, nxpk= 0, iat= -1,1330, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
igr1=1258,1263,
&end
#
# 77 LYS HA 77 LYS HD3 3.75
&rst
ixpk= 0, nxpk= 0, iat=1321,1330, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25, &end
#
# 73 TYR QD 77 LYS HD2 5.49
&rst
ixpk= 0, nxpk= 0, iat= -1,1329, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66,
igr1=1256,1265,
&end
#
# 77 LYS HB3 77 LYS HD3 3.65
&rst
ixpk= 0, nxpk= 0, iat=1324,1330, r1= 1.30, r2= 1.80, r3= 3.65, r4= 4.15, &end
#
# 37 TRP HB2 54 ASP H 5.50
&rst
ixpk= 0, nxpk= 0, iat= 686, 948, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 41 LYS HA 41 LYS HD2 4.91
&rst
ixpk= 0, nxpk= 0, iat= 756, 764, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41, &end
#
# 41 LYS HA 41 LYS HD3 5.07
&rst
ixpk= 0, nxpk= 0, iat= 756, 765, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57, &end
#
# 37 TRP HE3 41 LYS HD3 5.50
&rst
ixpk= 0, nxpk= 0, iat= 701, 765, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 37 TRP HB2 53 ALA QB 5.50
&rst
ixpk= 0, nxpk= 0, iat= 686, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 942, 943, 944,
&end
#
# 37 TRP HB2 55 VAL QG1 5.04
&rst
ixpk= 0, nxpk= 0, iat= 686, -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
igr2= 966, 967, 968,
&end
#
# 37 TRP HB3 55 VAL HB 5.46
&rst
ixpk= 0, nxpk= 0, iat= 687, 964, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96, &end
#
# 33 PRO HG3 34 SER H 5.20
&rst
ixpk= 0, nxpk= 0, iat= 644, 653, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70, &end
#
# 47 ALA H 78 LEU HG 3.85
&rst
ixpk= 0, nxpk= 0, iat= 861,1348, r1= 1.30, r2= 1.80, r3= 3.85, r4= 4.35, &end
#
# 46 GLU H 78 LEU HG 4.49
&rst
ixpk= 0, nxpk= 0, iat= 846,1348, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99, &end
#
# 84 ARG HA 84 ARG QG 3.91
&rst
ixpk= 0, nxpk= 0, iat=1444, -1, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89,
igr2=1449,1450,
&end
#
# 44 MET HA 78 LEU HG 3.31
&rst
ixpk= 0, nxpk= 0, iat= 807,1348, r1= 1.30, r2= 1.80, r3= 3.31, r4= 3.81, &end
#
# 74 ALA HA 78 LEU HG 3.84
&rst
ixpk= 0, nxpk= 0, iat=1271,1348, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34, &end
#
# 66 VAL QG2 67 ARG QG 4.16
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1=1138,1139,1140,
igr2=1151,1152,
&end
#
# 76 ARG H 76 ARG HG2 3.86
&rst
ixpk= 0, nxpk= 0, iat=1295,1302, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36, &end
#
# 73 TYR HA 76 ARG HG2 3.65
&rst
ixpk= 0, nxpk= 0, iat=1250,1302, r1= 1.30, r2= 1.80, r3= 3.65, r4= 4.15, &end
#
# 74 ALA QB 76 ARG HG2 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1302, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1273,1274,1275,
&end
#
# 76 ARG HG2 77 LYS H 4.33
&rst
ixpk= 0, nxpk= 0, iat=1302,1319, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83, &end
#
# 73 TYR QD 76 ARG HG2 5.34
&rst
ixpk= 0, nxpk= 0, iat= -1,1302, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr1=1256,1265,
&end
#
# 67 ARG QG 68 LYS QG 5.10
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.43, r4= 6.93,
igr1=1151,1152,
igr2=1175,1176,
&end
#
# 56 TYR HB3 57 ARG QG 5.16
&rst
ixpk= 0, nxpk= 0, iat= 981, -1, r1= 1.30, r2= 1.80, r3= 5.79, r4= 6.29,
igr2=1004,1005,
&end
#
# 76 ARG HG3 77 LYS H 4.54
&rst
ixpk= 0, nxpk= 0, iat=1303,1319, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04, &end
#
# 76 ARG H 76 ARG HG3 3.86
&rst
ixpk= 0, nxpk= 0, iat=1295,1303, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36, &end
#
# 76 ARG HG3 77 LYS QG 4.25
&rst
ixpk= 0, nxpk= 0, iat=1303, -1, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,
igr2=1326,1327,
&end
#
# 31 LEU H 31 LEU HG 5.50
&rst
ixpk= 0, nxpk= 0, iat= 606, 613, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 67 ARG H 67 ARG QG 4.98
&rst
ixpk= 0, nxpk= 0, iat=1144, -1, r1= 1.30, r2= 1.80, r3= 5.59, r4= 6.09,
igr2=1151,1152,
&end
#
# 67 ARG QG 68 LYS H 5.44
&rst
ixpk= 0, nxpk= 0, iat= -1,1168, r1= 1.30, r2= 1.80, r3= 6.11, r4= 6.61,
igr1=1151,1152,
&end
#
# 67 ARG QG 70 ASP H 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1205, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1151,1152,
&end
#
# 37 TRP HA 40 LEU HG 5.10
&rst
ixpk= 0, nxpk= 0, iat= 684, 742, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60, &end
#
# 31 LEU QD1 40 LEU HG 4.52
&rst
ixpk= 0, nxpk= 0, iat= -1, 742, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,
igr1= 615, 616, 617,
&end
#
# 40 LEU HG 83 PHE QE 5.44
&rst
ixpk= 0, nxpk= 0, iat= 742, -1, r1= 1.30, r2= 1.80, r3= 6.11, r4= 6.61,
igr2=1432,1436,
&end
#
# 40 LEU HG 44 MET HG2 5.44
&rst
ixpk= 0, nxpk= 0, iat= 742, 812, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94, &end
#
# 40 LEU HG 44 MET HG3 5.42
&rst
ixpk= 0, nxpk= 0, iat= 742, 813, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92, &end
#
# 20 ARG QG 21 ARG H 4.61
&rst
ixpk= 0, nxpk= 0, iat= -1, 452, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67,
igr1= 435, 436,
&end
#
# 21 ARG H 21 ARG HG2 5.39
&rst
ixpk= 0, nxpk= 0, iat= 452, 459, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89, &end
#
# 38 GLN HB3 38 GLN HG2 2.83
&rst
ixpk= 0, nxpk= 0, iat= 711, 713, r1= 1.30, r2= 1.80, r3= 2.83, r4= 3.33, &end
#
# 31 LEU QD2 60 THR H 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1040, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 619, 620, 621,
&end
#
# 40 LEU QD2 83 PHE QE 5.27
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.10, r4= 7.60,
igr1= 748, 749, 750,
igr2=1432,1436,
&end
#
# 31 LEU QD2 61 GLY HA3 4.45
&rst
ixpk= 0, nxpk= 0, iat= -1,1057, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
igr1= 619, 620, 621,
&end
#
# 40 LEU QD2 44 MET HG3 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 813, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 748, 749, 750,
&end
#
# 93 ILE HA 94 ARG HG2 5.50
&rst
ixpk= 0, nxpk= 0, iat=1579,1603, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 94 ARG H 94 ARG HG2 5.23
&rst
ixpk= 0, nxpk= 0, iat=1596,1603, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73, &end
#
# 94 ARG HG3 95 VAL H 5.23
&rst
ixpk= 0, nxpk= 0, iat=1604,1620, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73, &end
#
# 81 THR HB 82 LYS HG2 4.39
&rst
ixpk= 0, nxpk= 0, iat=1390,1407, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89, &end
#
# 82 LYS HB3 82 LYS HG3 2.94
&rst
ixpk= 0, nxpk= 0, iat=1405,1408, r1= 1.30, r2= 1.80, r3= 2.94, r4= 3.44, &end
#
# 82 LYS H 82 LYS HG3 4.57
&rst
ixpk= 0, nxpk= 0, iat=1400,1408, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07, &end
#
# 82 LYS HG2 92 TYR QD 5.50
&rst
ixpk= 0, nxpk= 0, iat=1407, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1564,1573,
&end
#
# 81 THR HA 82 LYS HG2 5.50
&rst
ixpk= 0, nxpk= 0, iat=1388,1407, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 68 LYS QG 69 GLU HA 3.73
&rst
ixpk= 0, nxpk= 0, iat= -1,1192, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69,
igr1=1175,1176,
&end
#
# 31 LEU QD1 93 ILE HG12 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1587, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 615, 616, 617,
&end
#
# 92 TYR HA 93 ILE HG12 5.31
&rst
ixpk= 0, nxpk= 0, iat=1558,1587, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81, &end
#
# 83 PHE HB2 93 ILE HG12 5.50
&rst
ixpk= 0, nxpk= 0, iat=1426,1587, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 68 LYS HA 68 LYS QG 4.02
&rst
ixpk= 0, nxpk= 0, iat=1170, -1, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01,
igr2=1175,1176,
&end
#
# 78 LEU HA 78 LEU QD2 5.50
&rst
ixpk= 0, nxpk= 0, iat=1343, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1354,1355,1356,
&end
#
# 44 MET HA 78 LEU QD2 4.62
&rst
ixpk= 0, nxpk= 0, iat= 807, -1, r1= 1.30, r2= 1.80, r3= 5.55, r4= 6.05,
igr2=1354,1355,1356,
&end
#
# 74 ALA HA 78 LEU QD2 5.41
&rst
ixpk= 0, nxpk= 0, iat=1271, -1, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,
igr2=1354,1355,1356,
&end
#
# 77 LYS H 77 LYS QG 4.18
&rst
ixpk= 0, nxpk= 0, iat=1319, -1, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19,
igr2=1326,1327,
&end
#
# 78 LEU H 78 LEU QD2 4.68
&rst
ixpk= 0, nxpk= 0, iat=1341, -1, r1= 1.30, r2= 1.80, r3= 5.62, r4= 6.12,
igr2=1354,1355,1356,
&end
#
# 77 LYS HA 77 LYS QG 3.48
&rst
ixpk= 0, nxpk= 0, iat=1321, -1, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41,
igr2=1326,1327,
&end
#
# 83 PHE H 91 ALA QB 5.08
&rst
ixpk= 0, nxpk= 0, iat=1422, -1, r1= 1.30, r2= 1.80, r3= 6.10, r4= 6.60,
igr2=1550,1551,1552,
&end
#
# 91 ALA QB 92 TYR H 3.47
&rst
ixpk= 0, nxpk= 0, iat= -1,1556, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67,
igr1=1550,1551,1552,
&end
#
# 91 ALA QB 92 TYR QD 4.89
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.59, r4= 7.09,
igr1=1550,1551,1552,
igr2=1564,1573,
&end
#
# 90 THR HA 91 ALA QB 4.46
&rst
ixpk= 0, nxpk= 0, iat=1534, -1, r1= 1.30, r2= 1.80, r3= 5.36, r4= 5.86,
igr2=1550,1551,1552,
&end
#
# 91 ALA QB 93 ILE QG2 4.18
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.03, r4= 6.53,
igr1=1550,1551,1552,
igr2=1583,1584,1585,
&end
#
# 31 LEU QD1 91 ALA QB 4.62
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.66, r4= 7.16,
igr1= 615, 616, 617,
igr2=1550,1551,1552,
&end
#
# 96 LYS QG 97 VAL H 4.89
&rst
ixpk= 0, nxpk= 0, iat= -1,1658, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99,
igr1=1643,1644,
&end
#
# 96 LYS HA 96 LYS QG 4.05
&rst
ixpk= 0, nxpk= 0, iat=1638, -1, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05,
igr2=1643,1644,
&end
#
# 50 VAL QG2 51 CYS H 4.09
&rst
ixpk= 0, nxpk= 0, iat= -1, 906, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,
igr1= 900, 901, 902,
&end
#
# 63 VAL H 63 VAL QG1 4.79
&rst
ixpk= 0, nxpk= 0, iat=1077, -1, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25,
igr2=1083,1084,1085,
&end
#
# 45 ARG H 50 VAL QG2 4.95
&rst
ixpk= 0, nxpk= 0, iat= 822, -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr2= 900, 901, 902,
&end
#
# 50 VAL QG2 52 TYR H 4.12
&rst
ixpk= 0, nxpk= 0, iat= -1, 917, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1= 900, 901, 902,
&end
#
# 50 VAL QG2 65 PHE QE 5.38
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.25, r4= 7.75,
igr1= 900, 901, 902,
igr2=1118,1122,
&end
#
# 50 VAL QG2 51 CYS HA 4.80
&rst
ixpk= 0, nxpk= 0, iat= -1, 908, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26,
igr1= 900, 901, 902,
&end
#
# 81 THR QG2 82 LYS H 3.92
&rst
ixpk= 0, nxpk= 0, iat= -1,1400, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
igr1=1392,1393,1394,
&end
#
# 79 ASP H 81 THR QG2 5.50
&rst
ixpk= 0, nxpk= 0, iat=1360, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1392,1393,1394,
&end
#
# 81 THR HA 81 THR QG2 3.39
&rst
ixpk= 0, nxpk= 0, iat=1388, -1, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57,
igr2=1392,1393,1394,
&end
#
# 53 ALA QB 54 ASP H 3.91
&rst
ixpk= 0, nxpk= 0, iat= -1, 948, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,
igr1= 942, 943, 944,
&end
#
# 41 LYS H 53 ALA QB 4.28
&rst
ixpk= 0, nxpk= 0, iat= 754, -1, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
igr2= 942, 943, 944,
&end
#
# 37 TRP HZ3 53 ALA QB 5.50
&rst
ixpk= 0, nxpk= 0, iat= 699, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 942, 943, 944,
&end
#
# 52 TYR HB3 53 ALA QB 5.50
&rst
ixpk= 0, nxpk= 0, iat= 922, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 942, 943, 944,
&end
#
# 41 LYS HB2 53 ALA QB 4.37
&rst
ixpk= 0, nxpk= 0, iat= 758, -1, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75,
igr2= 942, 943, 944,
&end
#
# 40 LEU QD1 53 ALA QB 4.21
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 744, 745, 746,
igr2= 942, 943, 944,
&end
#
# 50 VAL H 50 VAL QG2 4.57
&rst
ixpk= 0, nxpk= 0, iat= 890, -1, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99,
igr2= 900, 901, 902,
&end
#
# 50 VAL QG2 52 TYR QD 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 900, 901, 902,
igr2= 925, 934,
&end
#
# 50 VAL HA 50 VAL QG2 4.12
&rst
ixpk= 0, nxpk= 0, iat= 892, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr2= 900, 901, 902,
&end
#
# 52 TYR HA 53 ALA QB 3.75
&rst
ixpk= 0, nxpk= 0, iat= 919, -1, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,
igr2= 942, 943, 944,
&end
#
# 37 TRP HB3 53 ALA QB 3.58
&rst
ixpk= 0, nxpk= 0, iat= 687, -1, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,
igr2= 942, 943, 944,
&end
#
# 53 ALA QB 63 VAL QG2 3.10
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97,
igr1= 942, 943, 944,
igr2=1087,1088,1089,
&end
#
# 49 ASP H 66 VAL QG1 4.96
&rst
ixpk= 0, nxpk= 0, iat= 878, -1, r1= 1.30, r2= 1.80, r3= 5.96, r4= 6.46,
igr2=1134,1135,1136,
&end
#
# 77 LYS H 78 LEU QD1 4.90
&rst
ixpk= 0, nxpk= 0, iat=1319, -1, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
igr2=1350,1351,1352,
&end
#
# 78 LEU H 78 LEU QD1 3.84
&rst
ixpk= 0, nxpk= 0, iat=1341, -1, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,
igr2=1350,1351,1352,
&end
#
# 78 LEU QD1 79 ASP H 4.54
&rst
ixpk= 0, nxpk= 0, iat= -1,1360, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95,
igr1=1350,1351,1352,
&end
#
# 78 LEU HA 78 LEU QD1 3.37
&rst
ixpk= 0, nxpk= 0, iat=1343, -1, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55,
igr2=1350,1351,1352,
&end
#
# 74 ALA HA 78 LEU QD1 4.40
&rst
ixpk= 0, nxpk= 0, iat=1271, -1, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
igr2=1350,1351,1352,
&end
#
# 40 LEU QD1 44 MET HA 4.56
&rst
ixpk= 0, nxpk= 0, iat= -1, 807, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98,
igr1= 744, 745, 746,
&end
#
# 40 LEU HA 40 LEU QD1 3.68
&rst
ixpk= 0, nxpk= 0, iat= 737, -1, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92,
igr2= 744, 745, 746,
&end
#
# 40 LEU QD1 43 HIS HB3 4.35
&rst
ixpk= 0, nxpk= 0, iat= -1, 793, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
igr1= 744, 745, 746,
&end
#
# 31 LEU QD1 40 LEU QD1 4.08
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
igr1= 615, 616, 617,
igr2= 744, 745, 746,
&end
#
# 31 LEU QD1 83 PHE HB2 4.97
&rst
ixpk= 0, nxpk= 0, iat= -1,1426, r1= 1.30, r2= 1.80, r3= 5.97, r4= 6.47,
igr1= 615, 616, 617,
&end
#
# 66 VAL QG1 67 ARG H 4.44
&rst
ixpk= 0, nxpk= 0, iat= -1,1144, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83,
igr1=1134,1135,1136,
&end
#
# 51 CYS H 66 VAL QG1 4.72
&rst
ixpk= 0, nxpk= 0, iat= 906, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr2=1134,1135,1136,
&end
#
# 66 VAL H 66 VAL QG1 3.67
&rst
ixpk= 0, nxpk= 0, iat=1128, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr2=1134,1135,1136,
&end
#
# 65 PHE HA 66 VAL QG1 4.01
&rst
ixpk= 0, nxpk= 0, iat=1110, -1, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32,
igr2=1134,1135,1136,
&end
#
# 50 VAL HA 66 VAL QG1 4.56
&rst
ixpk= 0, nxpk= 0, iat= 892, -1, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98,
igr2=1134,1135,1136,
&end
#
# 51 CYS HB2 66 VAL QG1 4.63
&rst
ixpk= 0, nxpk= 0, iat= 910, -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
igr2=1134,1135,1136,
&end
#
# 49 ASP HB3 66 VAL QG1 3.59
&rst
ixpk= 0, nxpk= 0, iat= 883, -1, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81,
igr2=1134,1135,1136,
&end
#
# 77 LYS QE 78 LEU QD1 5.44
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.33, r4= 7.83,
igr1=1332,1333,
igr2=1350,1351,1352,
&end
#
# 40 LEU QD1 44 MET HG2 4.42
&rst
ixpk= 0, nxpk= 0, iat= -1, 812, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,
igr1= 744, 745, 746,
&end
#
# 31 LEU H 31 LEU QD1 4.16
&rst
ixpk= 0, nxpk= 0, iat= 606, -1, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
igr2= 615, 616, 617,
&end
#
# 31 LEU HA 31 LEU QD1 3.76
&rst
ixpk= 0, nxpk= 0, iat= 608, -1, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02,
igr2= 615, 616, 617,
&end
#
# 31 LEU QD1 35 GLY HA3 3.98
&rst
ixpk= 0, nxpk= 0, iat= -1, 667, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28,
igr1= 615, 616, 617,
&end
#
# 31 LEU QD1 83 PHE HB3 5.37
&rst
ixpk= 0, nxpk= 0, iat= -1,1427, r1= 1.30, r2= 1.80, r3= 6.45, r4= 6.95,
igr1= 615, 616, 617,
&end
#
# 28 VAL QG2 31 LEU QD1 3.83
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02,
igr1= 582, 583, 584,
igr2= 615, 616, 617,
&end
#
# 75 VAL QG1 96 LYS H 5.17
&rst
ixpk= 0, nxpk= 0, iat= -1,1636, r1= 1.30, r2= 1.80, r3= 6.21, r4= 6.71,
igr1=1285,1286,1287,
&end
#
# 75 VAL QG1 97 VAL H 3.95
&rst
ixpk= 0, nxpk= 0, iat= -1,1658, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,
igr1=1285,1286,1287,
&end
#
# 74 ALA H 75 VAL QG1 4.28
&rst
ixpk= 0, nxpk= 0, iat=1269, -1, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
igr2=1285,1286,1287,
&end
#
# 72 THR H 75 VAL QG1 5.50
&rst
ixpk= 0, nxpk= 0, iat=1234, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1285,1286,1287,
&end
#
# 75 VAL H 75 VAL QG1 3.25
&rst
ixpk= 0, nxpk= 0, iat=1279, -1, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40,
igr2=1285,1286,1287,
&end
#
# 26 VAL HA 75 VAL QG1 4.75
&rst
ixpk= 0, nxpk= 0, iat= 542, -1, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,
igr2=1285,1286,1287,
&end
#
# 75 VAL QG1 97 VAL HA 4.46
&rst
ixpk= 0, nxpk= 0, iat= -1,1660, r1= 1.30, r2= 1.80, r3= 5.36, r4= 5.86,
igr1=1285,1286,1287,
&end
#
# 75 VAL QG1 76 ARG QD 5.44
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.33, r4= 7.83,
igr1=1285,1286,1287,
igr2=1305,1306,
&end
#
# 27 VAL HA 27 VAL QG2 3.59
&rst
ixpk= 0, nxpk= 0, iat= 558, -1, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81,
igr2= 566, 567, 568,
&end
#
# 26 VAL QG2 71 MET HG2 3.87
&rst
ixpk= 0, nxpk= 0, iat= -1,1224, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,
igr1= 550, 551, 552,
&end
#
# 26 VAL QG2 71 MET HG3 3.56
&rst
ixpk= 0, nxpk= 0, iat= -1,1225, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78,
igr1= 550, 551, 552,
&end
#
# 27 VAL QG2 98 ASP H 4.12
&rst
ixpk= 0, nxpk= 0, iat= -1,1674, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1= 566, 567, 568,
&end
#
# 25 ARG H 26 VAL QG2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 516, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 550, 551, 552,
&end
#
# 63 VAL H 63 VAL QG2 4.31
&rst
ixpk= 0, nxpk= 0, iat=1077, -1, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68,
igr2=1087,1088,1089,
&end
#
# 63 VAL QG2 65 PHE QE 3.89
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,
igr1=1087,1088,1089,
igr2=1118,1122,
&end
#
# 53 ALA HA 63 VAL QG2 4.92
&rst
ixpk= 0, nxpk= 0, iat= 940, -1, r1= 1.30, r2= 1.80, r3= 5.91, r4= 6.41,
igr2=1087,1088,1089,
&end
#
# 63 VAL QG2 64 GLU HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1095, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1087,1088,1089,
&end
#
# 50 VAL HA 63 VAL QG2 5.26
&rst
ixpk= 0, nxpk= 0, iat= 892, -1, r1= 1.30, r2= 1.80, r3= 6.32, r4= 6.82,
igr2=1087,1088,1089,
&end
#
# 41 LYS HA 63 VAL QG2 4.61
&rst
ixpk= 0, nxpk= 0, iat= 756, -1, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,
igr2=1087,1088,1089,
&end
#
# 44 MET HG2 63 VAL QG2 4.34
&rst
ixpk= 0, nxpk= 0, iat= 812, -1, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71,
igr2=1087,1088,1089,
&end
#
# 44 MET HG3 63 VAL QG2 4.28
&rst
ixpk= 0, nxpk= 0, iat= 813, -1, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
igr2=1087,1088,1089,
&end
#
# 44 MET HB3 63 VAL QG2 3.45
&rst
ixpk= 0, nxpk= 0, iat= 810, -1, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64,
igr2=1087,1088,1089,
&end
#
# 26 VAL H 26 VAL QG2 3.81
&rst
ixpk= 0, nxpk= 0, iat= 540, -1, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
igr2= 550, 551, 552,
&end
#
# 26 VAL QG2 65 PHE QE 4.14
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08,
igr1= 550, 551, 552,
igr2=1118,1122,
&end
#
# 26 VAL QG2 74 ALA QB 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
igr1= 550, 551, 552,
igr2=1273,1274,1275,
&end
#
# 93 ILE QD1 95 VAL QG2 3.02
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86,
igr1=1590,1591,1592,
igr2=1630,1631,1632,
&end
#
# 75 VAL H 95 VAL QG2 5.50
&rst
ixpk= 0, nxpk= 0, iat=1279, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1630,1631,1632,
&end
#
# 72 THR QG2 73 TYR H 3.84
&rst
ixpk= 0, nxpk= 0, iat= -1,1248, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,
igr1=1240,1241,1242,
&end
#
# 72 THR QG2 76 ARG QD 3.90
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76,
igr1=1240,1241,1242,
igr2=1305,1306,
&end
#
# 72 THR QG2 76 ARG HG2 3.99
&rst
ixpk= 0, nxpk= 0, iat= -1,1302, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,
igr1=1240,1241,1242,
&end
#
# 72 THR H 72 THR QG2 3.80
&rst
ixpk= 0, nxpk= 0, iat=1234, -1, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06,
igr2=1240,1241,1242,
&end
#
# 71 MET QE 72 THR QG2 4.21
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1228,1229,1230,
igr2=1240,1241,1242,
&end
#
# 97 VAL H 97 VAL QG2 3.28
&rst
ixpk= 0, nxpk= 0, iat=1658, -1, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44,
igr2=1668,1669,1670,
&end
#
# 97 VAL HA 97 VAL QG2 3.38
&rst
ixpk= 0, nxpk= 0, iat=1660, -1, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56,
igr2=1668,1669,1670,
&end
#
# 97 VAL QG2 98 ASP HB2 5.17
&rst
ixpk= 0, nxpk= 0, iat= -1,1678, r1= 1.30, r2= 1.80, r3= 6.21, r4= 6.71,
igr1=1668,1669,1670,
&end
#
# 28 VAL HA 95 VAL QG2 3.53
&rst
ixpk= 0, nxpk= 0, iat= 574, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr2=1630,1631,1632,
&end
#
# 95 VAL H 95 VAL QG2 3.43
&rst
ixpk= 0, nxpk= 0, iat=1620, -1, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62,
igr2=1630,1631,1632,
&end
#
# 79 ASP H 95 VAL QG2 3.92
&rst
ixpk= 0, nxpk= 0, iat=1360, -1, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
igr2=1630,1631,1632,
&end
#
# 78 LEU HB2 95 VAL QG2 4.18
&rst
ixpk= 0, nxpk= 0, iat=1345, -1, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52,
igr2=1630,1631,1632,
&end
#
# 37 TRP H 55 VAL QG2 4.00
&rst
ixpk= 0, nxpk= 0, iat= 682, -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr2= 970, 971, 972,
&end
#
# 55 VAL QG2 56 TYR H 3.93
&rst
ixpk= 0, nxpk= 0, iat= -1, 976, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 970, 971, 972,
&end
#
# 36 SER HA 55 VAL QG2 4.02
&rst
ixpk= 0, nxpk= 0, iat= 673, -1, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
igr2= 970, 971, 972,
&end
#
# 55 VAL HA 55 VAL QG2 3.52
&rst
ixpk= 0, nxpk= 0, iat= 962, -1, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73,
igr2= 970, 971, 972,
&end
#
# 55 VAL QG2 61 GLY HA3 4.37
&rst
ixpk= 0, nxpk= 0, iat= -1,1057, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75,
igr1= 970, 971, 972,
&end
#
# 35 GLY HA3 55 VAL QG2 4.86
&rst
ixpk= 0, nxpk= 0, iat= 667, -1, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
igr2= 970, 971, 972,
&end
#
# 31 LEU QD2 55 VAL QG2 3.51
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,
igr1= 619, 620, 621,
igr2= 970, 971, 972,
&end
#
# 31 LEU QD1 55 VAL QG2 4.55
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.56, r4= 7.06,
igr1= 615, 616, 617,
igr2= 970, 971, 972,
&end
#
# 72 THR HA 72 THR QG2 3.22
&rst
ixpk= 0, nxpk= 0, iat=1236, -1, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37,
igr2=1240,1241,1242,
&end
#
# 31 LEU QD2 60 THR QG2 4.68
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.75, r4= 7.25,
igr1= 619, 620, 621,
igr2=1046,1047,1048,
&end
#
# 97 VAL QG2 98 ASP H 3.77
&rst
ixpk= 0, nxpk= 0, iat= -1,1674, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
igr1=1668,1669,1670,
&end
#
# 97 VAL QG2 99 GLY H 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1686, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1668,1669,1670,
&end
#
# 96 LYS QD 97 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=1646,1647,
igr2=1668,1669,1670,
&end
#
# 95 VAL QG1 96 LYS H 3.58
&rst
ixpk= 0, nxpk= 0, iat= -1,1636, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,
igr1=1626,1627,1628,
&end
#
# 28 VAL HA 95 VAL QG1 3.57
&rst
ixpk= 0, nxpk= 0, iat= 574, -1, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79,
igr2=1626,1627,1628,
&end
#
# 95 VAL HA 95 VAL QG1 4.11
&rst
ixpk= 0, nxpk= 0, iat=1622, -1, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
igr2=1626,1627,1628,
&end
#
# 79 ASP HB2 95 VAL QG1 5.50
&rst
ixpk= 0, nxpk= 0, iat=1364, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1626,1627,1628,
&end
#
# 44 MET HG3 95 VAL QG1 5.50
&rst
ixpk= 0, nxpk= 0, iat= 813, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1626,1627,1628,
&end
#
# 44 MET QE 95 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= 816, 817, 818,
igr2=1626,1627,1628,
&end
#
# 95 VAL H 95 VAL QG1 4.05
&rst
ixpk= 0, nxpk= 0, iat=1620, -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
igr2=1626,1627,1628,
&end
#
# 37 TRP HD1 55 VAL QG2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 690, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 970, 971, 972,
&end
#
# 55 VAL QG2 56 TYR QE 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 970, 971, 972,
igr2= 986, 991,
&end
#
# 37 TRP HA 55 VAL QG2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 684, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 970, 971, 972,
&end
#
# 37 TRP HB3 55 VAL QG2 4.39
&rst
ixpk= 0, nxpk= 0, iat= 687, -1, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77,
igr2= 970, 971, 972,
&end
#
# 50 VAL QG1 65 PHE QE 3.83
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
igr1= 896, 897, 898,
igr2=1118,1122,
&end
#
# 45 ARG HA 50 VAL QG1 3.67
&rst
ixpk= 0, nxpk= 0, iat= 824, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr2= 896, 897, 898,
&end
#
# 49 ASP HA 50 VAL QG1 4.45
&rst
ixpk= 0, nxpk= 0, iat= 880, -1, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
igr2= 896, 897, 898,
&end
#
# 44 MET HG2 50 VAL QG1 5.50
&rst
ixpk= 0, nxpk= 0, iat= 812, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 896, 897, 898,
&end
#
# 44 MET HG3 50 VAL QG1 5.02
&rst
ixpk= 0, nxpk= 0, iat= 813, -1, r1= 1.30, r2= 1.80, r3= 6.03, r4= 6.53,
igr2= 896, 897, 898,
&end
#
# 44 MET HB3 50 VAL QG1 3.41
&rst
ixpk= 0, nxpk= 0, iat= 810, -1, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,
igr2= 896, 897, 898,
&end
#
# 50 VAL QG1 63 VAL QG2 3.65
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76,
igr1= 896, 897, 898,
igr2=1087,1088,1089,
&end
#
# 50 VAL QG1 51 CYS H 5.21
&rst
ixpk= 0, nxpk= 0, iat= -1, 906, r1= 1.30, r2= 1.80, r3= 6.26, r4= 6.76,
igr1= 896, 897, 898,
&end
#
# 50 VAL H 50 VAL QG1 3.91
&rst
ixpk= 0, nxpk= 0, iat= 890, -1, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,
igr2= 896, 897, 898,
&end
#
# 48 GLY H 50 VAL QG1 4.48
&rst
ixpk= 0, nxpk= 0, iat= 871, -1, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88,
igr2= 896, 897, 898,
&end
#
# 27 VAL QG1 60 THR QG2 3.20
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
igr1= 562, 563, 564,
igr2=1046,1047,1048,
&end
#
# 60 THR H 60 THR QG2 3.96
&rst
ixpk= 0, nxpk= 0, iat=1040, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr2=1046,1047,1048,
&end
#
# 60 THR HA 60 THR QG2 3.50
&rst
ixpk= 0, nxpk= 0, iat=1042, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2=1046,1047,1048,
&end
#
# 29 SER HA 60 THR QG2 3.73
&rst
ixpk= 0, nxpk= 0, iat= 590, -1, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98,
igr2=1046,1047,1048,
&end
#
# 29 SER HB3 60 THR QG2 3.69
&rst
ixpk= 0, nxpk= 0, iat= 593, -1, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93,
igr2=1046,1047,1048,
&end
#
# 97 VAL H 97 VAL QG1 3.85
&rst
ixpk= 0, nxpk= 0, iat=1658, -1, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
igr2=1664,1665,1666,
&end
#
# 97 VAL QG1 98 ASP H 3.65
&rst
ixpk= 0, nxpk= 0, iat= -1,1674, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,
igr1=1664,1665,1666,
&end
#
# 26 VAL HA 97 VAL QG1 4.29
&rst
ixpk= 0, nxpk= 0, iat= 542, -1, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,
igr2=1664,1665,1666,
&end
#
# 97 VAL HA 97 VAL QG1 3.53
&rst
ixpk= 0, nxpk= 0, iat=1660, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr2=1664,1665,1666,
&end
#
# 97 VAL QG1 98 ASP HB2 5.01
&rst
ixpk= 0, nxpk= 0, iat= -1,1678, r1= 1.30, r2= 1.80, r3= 6.02, r4= 6.52,
igr1=1664,1665,1666,
&end
#
# 75 VAL QG2 79 ASP HB3 3.85
&rst
ixpk= 0, nxpk= 0, iat= -1,1365, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
igr1=1289,1290,1291,
&end
#
# 44 MET H 50 VAL QG1 3.81
&rst
ixpk= 0, nxpk= 0, iat= 805, -1, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
igr2= 896, 897, 898,
&end
#
# 50 VAL HA 50 VAL QG1 3.12
&rst
ixpk= 0, nxpk= 0, iat= 892, -1, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25,
igr2= 896, 897, 898,
&end
#
# 50 VAL QG1 65 PHE HB3 4.67
&rst
ixpk= 0, nxpk= 0, iat= -1,1113, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 896, 897, 898,
&end
#
# 30 GLY H 60 THR QG2 3.38
&rst
ixpk= 0, nxpk= 0, iat= 599, -1, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56,
igr2=1046,1047,1048,
&end
#
# 29 SER HB2 60 THR QG2 2.99
&rst
ixpk= 0, nxpk= 0, iat= 592, -1, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09,
igr2=1046,1047,1048,
&end
#
# 90 THR HA 90 THR QG2 3.51
&rst
ixpk= 0, nxpk= 0, iat=1534, -1, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72,
igr2=1538,1539,1540,
&end
#
# 84 ARG HA 90 THR QG2 3.72
&rst
ixpk= 0, nxpk= 0, iat=1444, -1, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97,
igr2=1538,1539,1540,
&end
#
# 84 ARG QD 90 THR QG2 3.97
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85,
igr1=1452,1453,
igr2=1538,1539,1540,
&end
#
# 82 LYS QE 90 THR QG2 3.91
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77,
igr1=1413,1414,
igr2=1538,1539,1540,
&end
#
# 84 ARG HB2 90 THR QG2 3.38
&rst
ixpk= 0, nxpk= 0, iat=1446, -1, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56,
igr2=1538,1539,1540,
&end
#
# 90 THR QG2 91 ALA H 3.92
&rst
ixpk= 0, nxpk= 0, iat= -1,1546, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
igr1=1538,1539,1540,
&end
#
# 89 GLU H 90 THR QG2 5.50
&rst
ixpk= 0, nxpk= 0, iat=1517, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1538,1539,1540,
&end
#
# 66 VAL QG2 67 ARG HD2 3.92
&rst
ixpk= 0, nxpk= 0, iat= -1,1154, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
igr1=1138,1139,1140,
&end
#
# 66 VAL QG2 67 ARG H 4.42
&rst
ixpk= 0, nxpk= 0, iat= -1,1144, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,
igr1=1138,1139,1140,
&end
#
# 49 ASP HB3 66 VAL QG2 4.51
&rst
ixpk= 0, nxpk= 0, iat= 883, -1, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,
igr2=1138,1139,1140,
&end
#
# 66 VAL QG2 67 ARG HA 4.03
&rst
ixpk= 0, nxpk= 0, iat= -1,1146, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,
igr1=1138,1139,1140,
&end
#
# 26 VAL H 26 VAL QG1 3.37
&rst
ixpk= 0, nxpk= 0, iat= 540, -1, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55,
igr2= 546, 547, 548,
&end
#
# 27 VAL QG1 28 VAL H 3.94
&rst
ixpk= 0, nxpk= 0, iat= -1, 572, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,
igr1= 562, 563, 564,
&end
#
# 25 ARG H 26 VAL QG1 5.50
&rst
ixpk= 0, nxpk= 0, iat= 516, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 546, 547, 548,
&end
#
# 26 VAL QG1 65 PHE QE 3.66
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43,
igr1= 546, 547, 548,
igr2=1118,1122,
&end
#
# 26 VAL HA 26 VAL QG1 3.22
&rst
ixpk= 0, nxpk= 0, iat= 542, -1, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37,
igr2= 546, 547, 548,
&end
#
# 26 VAL QG1 74 ALA QB 3.73
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88,
igr1= 546, 547, 548,
igr2=1273,1274,1275,
&end
#
# 37 TRP H 55 VAL QG1 3.91
&rst
ixpk= 0, nxpk= 0, iat= 682, -1, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,
igr2= 966, 967, 968,
&end
#
# 55 VAL QG1 56 TYR H 4.34
&rst
ixpk= 0, nxpk= 0, iat= -1, 976, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71,
igr1= 966, 967, 968,
&end
#
# 55 VAL H 55 VAL QG1 3.83
&rst
ixpk= 0, nxpk= 0, iat= 960, -1, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
igr2= 966, 967, 968,
&end
#
# 38 GLN H 55 VAL QG1 5.50
&rst
ixpk= 0, nxpk= 0, iat= 706, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 966, 967, 968,
&end
#
# 36 SER HA 55 VAL QG1 3.79
&rst
ixpk= 0, nxpk= 0, iat= 673, -1, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05,
igr2= 966, 967, 968,
&end
#
# 55 VAL HA 55 VAL QG1 3.76
&rst
ixpk= 0, nxpk= 0, iat= 962, -1, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02,
igr2= 966, 967, 968,
&end
#
# 37 TRP HB3 55 VAL QG1 4.09
&rst
ixpk= 0, nxpk= 0, iat= 687, -1, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,
igr2= 966, 967, 968,
&end
#
# 55 VAL QG1 57 ARG QG 4.68
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.31, r4= 6.81,
igr1= 966, 967, 968,
igr2=1004,1005,
&end
#
# 54 ASP H 62 VAL QG1 3.96
&rst
ixpk= 0, nxpk= 0, iat= 948, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr2=1067,1068,1069,
&end
#
# 62 VAL H 62 VAL QG1 3.43
&rst
ixpk= 0, nxpk= 0, iat=1061, -1, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62,
igr2=1067,1068,1069,
&end
#
# 55 VAL HA 62 VAL QG1 4.75
&rst
ixpk= 0, nxpk= 0, iat= 962, -1, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,
igr2=1067,1068,1069,
&end
#
# 26 VAL QG1 97 VAL HA 3.19
&rst
ixpk= 0, nxpk= 0, iat= -1,1660, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33,
igr1= 546, 547, 548,
&end
#
# 62 VAL HA 62 VAL QG1 3.11
&rst
ixpk= 0, nxpk= 0, iat=1063, -1, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23,
igr2=1067,1068,1069,
&end
#
# 27 VAL QG1 99 GLY H 4.60
&rst
ixpk= 0, nxpk= 0, iat= -1,1686, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02,
igr1= 562, 563, 564,
&end
#
# 27 VAL QG1 31 LEU QD2 5.23
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.54, r4= 8.04,
igr1= 562, 563, 564,
igr2= 619, 620, 621,
&end
#
# 54 ASP H 55 VAL QG1 5.48
&rst
ixpk= 0, nxpk= 0, iat= 948, -1, r1= 1.30, r2= 1.80, r3= 6.58, r4= 7.08,
igr2= 966, 967, 968,
&end
#
# 37 TRP HD1 55 VAL QG1 4.64
&rst
ixpk= 0, nxpk= 0, iat= 690, -1, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07,
igr2= 966, 967, 968,
&end
#
# 47 ALA QB 77 LYS H 5.49
&rst
ixpk= 0, nxpk= 0, iat= -1,1319, r1= 1.30, r2= 1.80, r3= 6.59, r4= 7.09,
igr1= 865, 866, 867,
&end
#
# 47 ALA QB 74 ALA H 3.97
&rst
ixpk= 0, nxpk= 0, iat= -1,1269, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,
igr1= 865, 866, 867,
&end
#
# 47 ALA H 47 ALA QB 3.48
&rst
ixpk= 0, nxpk= 0, iat= 861, -1, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68,
igr2= 865, 866, 867,
&end
#
# 47 ALA QB 49 ASP H 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 878, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 865, 866, 867,
&end
#
# 45 ARG HA 47 ALA QB 4.89
&rst
ixpk= 0, nxpk= 0, iat= 824, -1, r1= 1.30, r2= 1.80, r3= 5.87, r4= 6.37,
igr2= 865, 866, 867,
&end
#
# 47 ALA QB 48 GLY HA2 4.42
&rst
ixpk= 0, nxpk= 0, iat= -1, 873, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,
igr1= 865, 866, 867,
&end
#
# 47 ALA QB 74 ALA HA 3.71
&rst
ixpk= 0, nxpk= 0, iat= -1,1271, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96,
igr1= 865, 866, 867,
&end
#
# 47 ALA QB 73 TYR HB3 4.42
&rst
ixpk= 0, nxpk= 0, iat= -1,1253, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,
igr1= 865, 866, 867,
&end
#
# 47 ALA QB 74 ALA QB 3.72
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,
igr1= 865, 866, 867,
igr2=1273,1274,1275,
&end
#
# 47 ALA QB 78 LEU HG 3.59
&rst
ixpk= 0, nxpk= 0, iat= -1,1348, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81,
igr1= 865, 866, 867,
&end
#
# 47 ALA QB 78 LEU QD1 4.51
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,
igr1= 865, 866, 867,
igr2=1350,1351,1352,
&end
#
# 47 ALA QB 50 VAL QG1 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
igr1= 865, 866, 867,
igr2= 896, 897, 898,
&end
#
# 47 ALA QB 70 ASP HB2 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1209, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 865, 866, 867,
&end
#
# 74 ALA QB 77 LYS H 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1319, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1273,1274,1275,
&end
#
# 47 ALA H 74 ALA QB 4.74
&rst
ixpk= 0, nxpk= 0, iat= 861, -1, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
igr2=1273,1274,1275,
&end
#
# 47 ALA HA 74 ALA QB 4.14
&rst
ixpk= 0, nxpk= 0, iat= 863, -1, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47,
igr2=1273,1274,1275,
&end
#
# 72 THR H 74 ALA QB 5.50
&rst
ixpk= 0, nxpk= 0, iat=1234, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1273,1274,1275,
&end
#
# 74 ALA QB 75 VAL H 3.68
&rst
ixpk= 0, nxpk= 0, iat= -1,1279, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92,
igr1=1273,1274,1275,
&end
#
# 65 PHE QE 74 ALA QB 3.58
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
igr1=1118,1122,
igr2=1273,1274,1275,
&end
#
# 73 TYR HA 74 ALA QB 5.43
&rst
ixpk= 0, nxpk= 0, iat=1250, -1, r1= 1.30, r2= 1.80, r3= 6.52, r4= 7.02,
igr2=1273,1274,1275,
&end
#
# 71 MET HA 74 ALA QB 4.52
&rst
ixpk= 0, nxpk= 0, iat=1219, -1, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,
igr2=1273,1274,1275,
&end
#
# 74 ALA QB 75 VAL QG1 4.04
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.83, r4= 6.33,
igr1=1273,1274,1275,
igr2=1285,1286,1287,
&end
#
# 44 MET QE 75 VAL H 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1279, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 816, 817, 818,
&end
#
# 44 MET QE 95 VAL H 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1620, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 816, 817, 818,
&end
#
# 44 MET H 44 MET QE 4.30
&rst
ixpk= 0, nxpk= 0, iat= 805, -1, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
igr2= 816, 817, 818,
&end
#
# 44 MET QE 65 PHE QE 3.40
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
igr1= 816, 817, 818,
igr2=1118,1122,
&end
#
# 44 MET HA 44 MET QE 3.75
&rst
ixpk= 0, nxpk= 0, iat= 807, -1, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,
igr2= 816, 817, 818,
&end
#
# 44 MET QE 74 ALA HA 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1271, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 816, 817, 818,
&end
#
# 44 MET HG2 44 MET QE 3.78
&rst
ixpk= 0, nxpk= 0, iat= 812, -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
igr2= 816, 817, 818,
&end
#
# 44 MET HG3 44 MET QE 3.67
&rst
ixpk= 0, nxpk= 0, iat= 813, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr2= 816, 817, 818,
&end
#
# 44 MET QE 74 ALA QB 3.80
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98,
igr1= 816, 817, 818,
igr2=1273,1274,1275,
&end
#
# 44 MET QE 78 LEU HG 3.44
&rst
ixpk= 0, nxpk= 0, iat= -1,1348, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63,
igr1= 816, 817, 818,
&end
#
# 44 MET QE 95 VAL QG2 2.75
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47,
igr1= 816, 817, 818,
igr2=1630,1631,1632,
&end
#
# 44 MET QE 93 ILE QD1 3.56
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63,
igr1= 816, 817, 818,
igr2=1590,1591,1592,
&end
#
# 83 PHE H 93 ILE QG2 4.63
&rst
ixpk= 0, nxpk= 0, iat=1422, -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
igr2=1583,1584,1585,
&end
#
# 93 ILE QG2 94 ARG H 4.12
&rst
ixpk= 0, nxpk= 0, iat= -1,1596, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1=1583,1584,1585,
&end
#
# 93 ILE H 93 ILE QG2 4.00
&rst
ixpk= 0, nxpk= 0, iat=1577, -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr2=1583,1584,1585,
&end
#
# 81 THR H 93 ILE QG2 5.50
&rst
ixpk= 0, nxpk= 0, iat=1386, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1583,1584,1585,
&end
#
# 83 PHE QE 93 ILE QG2 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1432,1436,
igr2=1583,1584,1585,
&end
#
# 92 TYR HA 93 ILE QG2 4.69
&rst
ixpk= 0, nxpk= 0, iat=1558, -1, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13,
igr2=1583,1584,1585,
&end
#
# 93 ILE HA 93 ILE QG2 3.68
&rst
ixpk= 0, nxpk= 0, iat=1579, -1, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92,
igr2=1583,1584,1585,
&end
#
# 83 PHE HA 93 ILE QG2 4.57
&rst
ixpk= 0, nxpk= 0, iat=1424, -1, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99,
igr2=1583,1584,1585,
&end
#
# 30 GLY HA3 93 ILE QG2 5.44
&rst
ixpk= 0, nxpk= 0, iat= 602, -1, r1= 1.30, r2= 1.80, r3= 6.53, r4= 7.03,
igr2=1583,1584,1585,
&end
#
# 31 LEU HA 93 ILE QG2 4.82
&rst
ixpk= 0, nxpk= 0, iat= 608, -1, r1= 1.30, r2= 1.80, r3= 5.79, r4= 6.29,
igr2=1583,1584,1585,
&end
#
# 83 PHE HB2 93 ILE QG2 4.00
&rst
ixpk= 0, nxpk= 0, iat=1426, -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr2=1583,1584,1585,
&end
#
# 83 PHE HB3 93 ILE QG2 4.18
&rst
ixpk= 0, nxpk= 0, iat=1427, -1, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52,
igr2=1583,1584,1585,
&end
#
# 31 LEU QD1 93 ILE QG2 3.83
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02,
igr1= 615, 616, 617,
igr2=1583,1584,1585,
&end
#
# 24 ASN HB2 71 MET QE 5.25
&rst
ixpk= 0, nxpk= 0, iat= 506, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr2=1228,1229,1230,
&end
#
# 26 VAL H 71 MET QE 5.50
&rst
ixpk= 0, nxpk= 0, iat= 540, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1228,1229,1230,
&end
#
# 71 MET QE 72 THR H 3.66
&rst
ixpk= 0, nxpk= 0, iat= -1,1234, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,
igr1=1228,1229,1230,
&end
#
# 71 MET QE 73 TYR H 5.17
&rst
ixpk= 0, nxpk= 0, iat= -1,1248, r1= 1.30, r2= 1.80, r3= 6.21, r4= 6.71,
igr1=1228,1229,1230,
&end
#
# 65 PHE QD 71 MET QE 5.14
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1116,1124,
igr2=1228,1229,1230,
&end
#
# 71 MET H 71 MET QE 4.05
&rst
ixpk= 0, nxpk= 0, iat=1217, -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
igr2=1228,1229,1230,
&end
#
# 24 ASN HA 71 MET QE 3.82
&rst
ixpk= 0, nxpk= 0, iat= 504, -1, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09,
igr2=1228,1229,1230,
&end
#
# 71 MET QE 72 THR HA 3.40
&rst
ixpk= 0, nxpk= 0, iat= -1,1236, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58,
igr1=1228,1229,1230,
&end
#
# 71 MET HA 71 MET QE 4.29
&rst
ixpk= 0, nxpk= 0, iat=1219, -1, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,
igr2=1228,1229,1230,
&end
#
# 26 VAL QG2 71 MET QE 4.11
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43,
igr1= 550, 551, 552,
igr2=1228,1229,1230,
&end
#
# 83 PHE H 93 ILE QD1 5.12
&rst
ixpk= 0, nxpk= 0, iat=1422, -1, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65,
igr2=1590,1591,1592,
&end
#
# 93 ILE QD1 95 VAL H 4.97
&rst
ixpk= 0, nxpk= 0, iat= -1,1620, r1= 1.30, r2= 1.80, r3= 5.97, r4= 6.47,
igr1=1590,1591,1592,
&end
#
# 93 ILE H 93 ILE QD1 4.15
&rst
ixpk= 0, nxpk= 0, iat=1577, -1, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48,
igr2=1590,1591,1592,
&end
#
# 28 VAL HA 93 ILE QD1 5.50
&rst
ixpk= 0, nxpk= 0, iat= 574, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1590,1591,1592,
&end
#
# 92 TYR HA 93 ILE QD1 5.50
&rst
ixpk= 0, nxpk= 0, iat=1558, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1590,1591,1592,
&end
#
# 93 ILE HA 93 ILE QD1 4.53
&rst
ixpk= 0, nxpk= 0, iat=1579, -1, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94,
igr2=1590,1591,1592,
&end
#
# 93 ILE QD1 95 VAL HA 5.37
&rst
ixpk= 0, nxpk= 0, iat= -1,1622, r1= 1.30, r2= 1.80, r3= 6.45, r4= 6.95,
igr1=1590,1591,1592,
&end
#
# 83 PHE HA 93 ILE QD1 4.76
&rst
ixpk= 0, nxpk= 0, iat=1424, -1, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,
igr2=1590,1591,1592,
&end
#
# 83 PHE HB2 93 ILE QD1 4.55
&rst
ixpk= 0, nxpk= 0, iat=1426, -1, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96,
igr2=1590,1591,1592,
&end
#
# 83 PHE HB3 93 ILE QD1 4.40
&rst
ixpk= 0, nxpk= 0, iat=1427, -1, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
igr2=1590,1591,1592,
&end
#
# 93 ILE HB 93 ILE QD1 3.86
&rst
ixpk= 0, nxpk= 0, iat=1581, -1, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,
igr2=1590,1591,1592,
&end
#
# 31 LEU QD1 93 ILE QD1 4.53
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.53, r4= 7.03,
igr1= 615, 616, 617,
igr2=1590,1591,1592,
&end
#
# 43 HIS HE1 83 PHE H 5.08
&rst
ixpk= 0, nxpk= 0, iat= 797,1422, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58, &end
#
# 43 HIS HE1 84 ARG H 4.31
&rst
ixpk= 0, nxpk= 0, iat= 797,1442, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81, &end
#
# 43 HIS HE1 83 PHE HA 3.57
&rst
ixpk= 0, nxpk= 0, iat= 797,1424, r1= 1.30, r2= 1.80, r3= 3.57, r4= 4.07, &end
#
# 43 HIS HE1 83 PHE HB2 4.67
&rst
ixpk= 0, nxpk= 0, iat= 797,1426, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17, &end
#
# 43 HIS HE1 83 PHE HB3 4.63
&rst
ixpk= 0, nxpk= 0, iat= 797,1427, r1= 1.30, r2= 1.80, r3= 4.63, r4= 5.13, &end
#
# 43 HIS HE1 93 ILE QD1 4.85
&rst
ixpk= 0, nxpk= 0, iat= 797, -1, r1= 1.30, r2= 1.80, r3= 5.82, r4= 6.32,
igr2=1590,1591,1592,
&end
#
# 43 HIS HA 43 HIS HE1 5.50
&rst
ixpk= 0, nxpk= 0, iat= 790, 797, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 86 HIS HB2 86 HIS HE1 5.10
&rst
ixpk= 0, nxpk= 0, iat=1481,1487, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60, &end
#
# 86 HIS HE1 87 GLU HG2 5.50
&rst
ixpk= 0, nxpk= 0, iat=1487,1502, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 86 HIS HE1 87 GLU HG3 5.33
&rst
ixpk= 0, nxpk= 0, iat=1487,1503, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83, &end
#
# 80 ASN HB3 92 TYR QD 5.50
&rst
ixpk= 0, nxpk= 0, iat=1377, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1564,1573,
&end
#
# 73 TYR QD 74 ALA H 3.77
&rst
ixpk= 0, nxpk= 0, iat= -1,1269, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73,
igr1=1256,1265,
&end
#
# 73 TYR HA 73 TYR QD 3.22
&rst
ixpk= 0, nxpk= 0, iat=1250, -1, r1= 1.30, r2= 1.80, r3= 3.61, r4= 4.11,
igr2=1256,1265,
&end
#
# 47 ALA QB 73 TYR QD 3.10
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68,
igr1= 865, 866, 867,
igr2=1256,1265,
&end
#
# 73 TYR QD 74 ALA QB 3.97
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85,
igr1=1256,1265,
igr2=1273,1274,1275,
&end
#
# 47 ALA HA 73 TYR QD 3.27
&rst
ixpk= 0, nxpk= 0, iat= 863, -1, r1= 1.30, r2= 1.80, r3= 3.67, r4= 4.17,
igr2=1256,1265,
&end
#
# 73 TYR QD 74 ALA HA 3.96
&rst
ixpk= 0, nxpk= 0, iat= -1,1271, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
igr1=1256,1265,
&end
#
# 73 TYR QD 76 ARG HG3 4.78
&rst
ixpk= 0, nxpk= 0, iat= -1,1303, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,
igr1=1256,1265,
&end
#
# 73 TYR QD 78 LEU QD1 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1256,1265,
igr2=1350,1351,1352,
&end
#
# 83 PHE H 92 TYR QD 5.08
&rst
ixpk= 0, nxpk= 0, iat=1422, -1, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,
igr2=1564,1573,
&end
#
# 92 TYR H 92 TYR QD 3.88
&rst
ixpk= 0, nxpk= 0, iat=1556, -1, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86,
igr2=1564,1573,
&end
#
# 82 LYS H 92 TYR QD 4.62
&rst
ixpk= 0, nxpk= 0, iat=1400, -1, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,
igr2=1564,1573,
&end
#
# 92 TYR HA 92 TYR QD 4.22
&rst
ixpk= 0, nxpk= 0, iat=1558, -1, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,
igr2=1564,1573,
&end
#
# 82 LYS HB2 92 TYR QD 4.87
&rst
ixpk= 0, nxpk= 0, iat=1404, -1, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
igr2=1564,1573,
&end
#
# 81 THR QG2 92 TYR QD 5.24
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.06, r4= 7.56,
igr1=1392,1393,1394,
igr2=1564,1573,
&end
#
# 82 LYS QD 92 TYR QD 5.47
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.89, r4= 7.39,
igr1=1410,1411,
igr2=1564,1573,
&end
#
# 82 LYS HB3 92 TYR QD 4.58
&rst
ixpk= 0, nxpk= 0, iat=1405, -1, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
igr2=1564,1573,
&end
#
# 56 TYR QD 60 THR H 4.88
&rst
ixpk= 0, nxpk= 0, iat= -1,1040, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98,
igr1= 984, 993,
&end
#
# 81 THR HA 92 TYR QD 3.97
&rst
ixpk= 0, nxpk= 0, iat=1388, -1, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96,
igr2=1564,1573,
&end
#
# 56 TYR QD 61 GLY HA2 4.67
&rst
ixpk= 0, nxpk= 0, iat= -1,1056, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,
igr1= 984, 993,
&end
#
# 56 TYR QD 58 ASP H 4.83
&rst
ixpk= 0, nxpk= 0, iat= -1,1021, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,
igr1= 984, 993,
&end
#
# 54 ASP QB 56 TYR QD 4.78
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.02, r4= 6.52,
igr1= 952, 953,
igr2= 984, 993,
&end
#
# 80 ASN HD21 92 TYR QD 4.74
&rst
ixpk= 0, nxpk= 0, iat=1382, -1, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82,
igr2=1564,1573,
&end
#
# 82 LYS HA 92 TYR QD 3.47
&rst
ixpk= 0, nxpk= 0, iat=1402, -1, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39,
igr2=1564,1573,
&end
#
# 56 TYR QD 62 VAL H 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1061, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 984, 993,
&end
#
# 56 TYR H 56 TYR QD 3.72
&rst
ixpk= 0, nxpk= 0, iat= 976, -1, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68,
igr2= 984, 993,
&end
#
# 56 TYR HA 56 TYR QD 3.23
&rst
ixpk= 0, nxpk= 0, iat= 978, -1, r1= 1.30, r2= 1.80, r3= 3.63, r4= 4.13,
igr2= 984, 993,
&end
#
# 55 VAL QQG 56 TYR QD 4.08
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 966, 967, 968, 970, 971, 972,
igr2= 984, 993,
&end
#
# 56 TYR QD 60 THR HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1042, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 984, 993,
&end
#
# 52 TYR QD 54 ASP H 4.85
&rst
ixpk= 0, nxpk= 0, iat= -1, 948, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94,
igr1= 925, 934,
&end
#
# 52 TYR QD 53 ALA H 4.78
&rst
ixpk= 0, nxpk= 0, iat= -1, 938, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,
igr1= 925, 934,
&end
#
# 52 TYR H 52 TYR QD 4.91
&rst
ixpk= 0, nxpk= 0, iat= 917, -1, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01,
igr2= 925, 934,
&end
#
# 52 TYR QD 54 ASP HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 950, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 925, 934,
&end
#
# 52 TYR HA 52 TYR QD 3.33
&rst
ixpk= 0, nxpk= 0, iat= 919, -1, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24,
igr2= 925, 934,
&end
#
# 52 TYR QD 54 ASP QB 4.55
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.73, r4= 6.23,
igr1= 925, 934,
igr2= 952, 953,
&end
#
# 52 TYR QD 53 ALA QB 4.83
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.51, r4= 7.01,
igr1= 925, 934,
igr2= 942, 943, 944,
&end
#
# 52 TYR QD 62 VAL QG1 4.06
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
igr1= 925, 934,
igr2=1067,1068,1069,
&end
#
# 52 TYR QD 53 ALA HA 5.19
&rst
ixpk= 0, nxpk= 0, iat= -1, 940, r1= 1.30, r2= 1.80, r3= 5.83, r4= 6.33,
igr1= 925, 934,
&end
#
# 83 PHE H 83 PHE QD 4.15
&rst
ixpk= 0, nxpk= 0, iat=1422, -1, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,
igr2=1430,1438,
&end
#
# 83 PHE QD 91 ALA H 4.33
&rst
ixpk= 0, nxpk= 0, iat= -1,1546, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
igr1=1430,1438,
&end
#
# 83 PHE QD 84 ARG H 3.87
&rst
ixpk= 0, nxpk= 0, iat= -1,1442, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84,
igr1=1430,1438,
&end
#
# 43 HIS HE1 83 PHE QD 4.86
&rst
ixpk= 0, nxpk= 0, iat= 797, -1, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96,
igr2=1430,1438,
&end
#
# 83 PHE QD 84 ARG HA 4.60
&rst
ixpk= 0, nxpk= 0, iat= -1,1444, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
igr1=1430,1438,
&end
#
# 83 PHE HA 83 PHE QD 3.83
&rst
ixpk= 0, nxpk= 0, iat=1424, -1, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,
igr2=1430,1438,
&end
#
# 40 LEU HA 83 PHE QD 4.03
&rst
ixpk= 0, nxpk= 0, iat= 737, -1, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02,
igr2=1430,1438,
&end
#
# 31 LEU HA 83 PHE QD 4.75
&rst
ixpk= 0, nxpk= 0, iat= 608, -1, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83,
igr2=1430,1438,
&end
#
# 83 PHE QD 93 ILE HG12 5.38
&rst
ixpk= 0, nxpk= 0, iat= -1,1587, r1= 1.30, r2= 1.80, r3= 6.04, r4= 6.54,
igr1=1430,1438,
&end
#
# 83 PHE QD 91 ALA QB 3.89
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,
igr1=1430,1438,
igr2=1550,1551,1552,
&end
#
# 83 PHE QD 93 ILE QD1 3.80
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
igr1=1430,1438,
igr2=1590,1591,1592,
&end
#
# 83 PHE QD 93 ILE QG2 3.64
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,
igr1=1430,1438,
igr2=1583,1584,1585,
&end
#
# 31 LEU QD1 83 PHE QD 3.80
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
igr1= 615, 616, 617,
igr2=1430,1438,
&end
#
# 40 LEU QD1 83 PHE QD 3.94
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,
igr1= 744, 745, 746,
igr2=1430,1438,
&end
#
# 65 PHE QD 67 ARG H 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1144, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1116,1124,
&end
#
# 83 PHE QD 92 TYR HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1558, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1430,1438,
&end
#
# 83 PHE QD 90 THR HA 4.67
&rst
ixpk= 0, nxpk= 0, iat= -1,1534, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,
igr1=1430,1438,
&end
#
# 65 PHE H 65 PHE QD 4.66
&rst
ixpk= 0, nxpk= 0, iat=1108, -1, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73,
igr2=1116,1124,
&end
#
# 50 VAL HA 65 PHE QD 4.95
&rst
ixpk= 0, nxpk= 0, iat= 892, -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
igr2=1116,1124,
&end
#
# 50 VAL QQG 65 PHE QD 4.30
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.51, r4= 7.01,
igr1= 896, 897, 898, 900, 901, 902,
igr2=1116,1124,
&end
#
# 64 GLU H 65 PHE QD 5.31
&rst
ixpk= 0, nxpk= 0, iat=1093, -1, r1= 1.30, r2= 1.80, r3= 5.96, r4= 6.46,
igr2=1116,1124,
&end
#
# 50 VAL H 65 PHE QD 4.17
&rst
ixpk= 0, nxpk= 0, iat= 890, -1, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,
igr2=1116,1124,
&end
#
# 65 PHE QD 71 MET HB3 4.46
&rst
ixpk= 0, nxpk= 0, iat= -1,1222, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51,
igr1=1116,1124,
&end
#
# 65 PHE QE 74 ALA H 5.12
&rst
ixpk= 0, nxpk= 0, iat= -1,1269, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25,
igr1=1118,1122,
&end
#
# 47 ALA QB 65 PHE QE 4.16
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 865, 866, 867,
igr2=1118,1122,
&end
#
# 65 PHE H 65 PHE QE 5.06
&rst
ixpk= 0, nxpk= 0, iat=1108, -1, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18,
igr2=1118,1122,
&end
#
# 65 PHE HA 65 PHE QE 5.50
&rst
ixpk= 0, nxpk= 0, iat=1110, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1118,1122,
&end
#
# 48 GLY HA2 65 PHE QE 5.50
&rst
ixpk= 0, nxpk= 0, iat= 873, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1118,1122,
&end
#
# 50 VAL HA 65 PHE QE 5.30
&rst
ixpk= 0, nxpk= 0, iat= 892, -1, r1= 1.30, r2= 1.80, r3= 5.95, r4= 6.45,
igr2=1118,1122,
&end
#
# 65 PHE QE 71 MET HA 5.26
&rst
ixpk= 0, nxpk= 0, iat= -1,1219, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,
igr1=1118,1122,
&end
#
# 65 PHE QE 71 MET HG2 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1224, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1118,1122,
&end
#
# 65 PHE QE 71 MET HB3 5.32
&rst
ixpk= 0, nxpk= 0, iat= -1,1222, r1= 1.30, r2= 1.80, r3= 5.97, r4= 6.47,
igr1=1118,1122,
&end
#
# 47 ALA H 65 PHE QE 5.37
&rst
ixpk= 0, nxpk= 0, iat= 861, -1, r1= 1.30, r2= 1.80, r3= 6.03, r4= 6.53,
igr2=1118,1122,
&end
#
# 44 MET HA 65 PHE QE 4.75
&rst
ixpk= 0, nxpk= 0, iat= 807, -1, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83,
igr2=1118,1122,
&end
#
# 44 MET HB3 65 PHE QE 4.23
&rst
ixpk= 0, nxpk= 0, iat= 810, -1, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25,
igr2=1118,1122,
&end
#
# 50 VAL QQG 65 PHE QE 4.23
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.40, r4= 6.90,
igr1= 896, 897, 898, 900, 901, 902,
igr2=1118,1122,
&end
#
# 40 LEU H 83 PHE QE 4.49
&rst
ixpk= 0, nxpk= 0, iat= 735, -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr2=1432,1436,
&end
#
# 40 LEU HA 83 PHE QE 3.94
&rst
ixpk= 0, nxpk= 0, iat= 737, -1, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92,
igr2=1432,1436,
&end
#
# 31 LEU HA 83 PHE QE 5.11
&rst
ixpk= 0, nxpk= 0, iat= 608, -1, r1= 1.30, r2= 1.80, r3= 5.74, r4= 6.24,
igr2=1432,1436,
&end
#
# 35 GLY HA3 83 PHE QE 3.80
&rst
ixpk= 0, nxpk= 0, iat= 667, -1, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,
igr2=1432,1436,
&end
#
# 31 LEU HB2 83 PHE QE 5.27
&rst
ixpk= 0, nxpk= 0, iat= 610, -1, r1= 1.30, r2= 1.80, r3= 5.92, r4= 6.42,
igr2=1432,1436,
&end
#
# 83 PHE QE 93 ILE QD1 4.87
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.56, r4= 7.06,
igr1=1432,1436,
igr2=1590,1591,1592,
&end
#
# 36 SER H 83 PHE QE 4.68
&rst
ixpk= 0, nxpk= 0, iat= 671, -1, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75,
igr2=1432,1436,
&end
#
# 35 GLY HA2 83 PHE QE 3.82
&rst
ixpk= 0, nxpk= 0, iat= 666, -1, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79,
igr2=1432,1436,
&end
#
# 39 ASP HA 83 PHE QE 5.09
&rst
ixpk= 0, nxpk= 0, iat= 725, -1, r1= 1.30, r2= 1.80, r3= 5.71, r4= 6.21,
igr2=1432,1436,
&end
#
# 83 PHE QE 91 ALA QB 4.59
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.19, r4= 6.69,
igr1=1432,1436,
igr2=1550,1551,1552,
&end
#
# 40 LEU QD1 83 PHE QE 3.84
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68,
igr1= 744, 745, 746,
igr2=1432,1436,
&end
#
# 37 TRP HD1 55 VAL HB 5.12
&rst
ixpk= 0, nxpk= 0, iat= 690, 964, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62, &end
#
# 31 LEU QD1 83 PHE QE 4.20
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
igr1= 615, 616, 617,
igr2=1432,1436,
&end
#
# 37 TRP H 37 TRP HD1 3.79
&rst
ixpk= 0, nxpk= 0, iat= 682, 690, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29, &end
#
# 37 TRP HD1 55 VAL H 4.53
&rst
ixpk= 0, nxpk= 0, iat= 690, 960, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03, &end
#
# 37 TRP HD1 38 GLN H 4.80
&rst
ixpk= 0, nxpk= 0, iat= 690, 706, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, &end
#
# 37 TRP HA 37 TRP HD1 4.62
&rst
ixpk= 0, nxpk= 0, iat= 684, 690, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12, &end
#
# 37 TRP HD1 55 VAL QQG 3.92
&rst
ixpk= 0, nxpk= 0, iat= 690, -1, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
igr2= 966, 967, 968, 970, 971, 972,
&end
#
# 37 TRP HB3 37 TRP HD1 3.89
&rst
ixpk= 0, nxpk= 0, iat= 687, 690, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39, &end
#
# 36 SER HB2 37 TRP HD1 5.50
&rst
ixpk= 0, nxpk= 0, iat= 675, 690, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 36 SER H 83 PHE HZ 4.75
&rst
ixpk= 0, nxpk= 0, iat= 671,1434, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25, &end
#
# 35 GLY HA2 83 PHE HZ 4.29
&rst
ixpk= 0, nxpk= 0, iat= 666,1434, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79, &end
#
# 39 ASP HB2 83 PHE HZ 4.31
&rst
ixpk= 0, nxpk= 0, iat= 727,1434, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81, &end
#
# 40 LEU QD1 83 PHE HZ 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1434, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 744, 745, 746,
&end
#
# 31 LEU QD1 83 PHE HZ 4.75
&rst
ixpk= 0, nxpk= 0, iat= -1,1434, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,
igr1= 615, 616, 617,
&end
#
# 40 LEU HA 83 PHE HZ 5.06
&rst
ixpk= 0, nxpk= 0, iat= 737,1434, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56, &end
#
# 86 HIS HD2 87 GLU HB2 5.50
&rst
ixpk= 0, nxpk= 0, iat=1491,1499, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 86 HIS H 86 HIS HD2 5.36
&rst
ixpk= 0, nxpk= 0, iat=1477,1491, r1= 1.30, r2= 1.80, r3= 5.36, r4= 5.86, &end
#
# 86 HIS HD2 87 GLU HG2 4.48
&rst
ixpk= 0, nxpk= 0, iat=1491,1502, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98, &end
#
# 86 HIS HA 86 HIS HD2 4.40
&rst
ixpk= 0, nxpk= 0, iat=1479,1491, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90, &end
#
# 37 TRP HZ3 41 LYS HB3 5.31
&rst
ixpk= 0, nxpk= 0, iat= 699, 759, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81, &end
#
# 37 TRP HZ3 41 LYS HD3 5.50
&rst
ixpk= 0, nxpk= 0, iat= 699, 765, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 37 TRP HZ3 41 LYS HB2 4.81
&rst
ixpk= 0, nxpk= 0, iat= 699, 758, r1= 1.30, r2= 1.80, r3= 4.81, r4= 5.31, &end
#
# 37 TRP HZ3 41 LYS HD2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 699, 764, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 37 TRP HE3 38 GLN HG2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 701, 713, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 37 TRP H 37 TRP HE3 5.50
&rst
ixpk= 0, nxpk= 0, iat= 682, 701, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 37 TRP HA 37 TRP HE3 5.31
&rst
ixpk= 0, nxpk= 0, iat= 684, 701, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81, &end
#
# 37 TRP HE3 41 LYS HB2 4.58
&rst
ixpk= 0, nxpk= 0, iat= 701, 758, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08, &end
#
# 37 TRP HE3 53 ALA QB 4.29
&rst
ixpk= 0, nxpk= 0, iat= 701, -1, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,
igr2= 942, 943, 944,
&end
#
# 37 TRP HE3 41 LYS HB3 4.97
&rst
ixpk= 0, nxpk= 0, iat= 701, 759, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47, &end
#
# 37 TRP HE3 41 LYS HD2 5.17
&rst
ixpk= 0, nxpk= 0, iat= 701, 764, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67, &end
#
# 80 ASN HD21 92 TYR QE 4.60
&rst
ixpk= 0, nxpk= 0, iat=1382, -1, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
igr2=1566,1571,
&end
#
# 80 ASN HB3 92 TYR QE 5.50
&rst
ixpk= 0, nxpk= 0, iat=1377, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1566,1571,
&end
#
# 82 LYS H 92 TYR QE 3.93
&rst
ixpk= 0, nxpk= 0, iat=1400, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr2=1566,1571,
&end
#
# 92 TYR HA 92 TYR QE 4.27
&rst
ixpk= 0, nxpk= 0, iat=1558, -1, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,
igr2=1566,1571,
&end
#
# 81 THR HA 92 TYR QE 3.89
&rst
ixpk= 0, nxpk= 0, iat=1388, -1, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87,
igr2=1566,1571,
&end
#
# 82 LYS HA 92 TYR QE 4.26
&rst
ixpk= 0, nxpk= 0, iat=1402, -1, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28,
igr2=1566,1571,
&end
#
# 82 LYS HB2 92 TYR QE 4.03
&rst
ixpk= 0, nxpk= 0, iat=1404, -1, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02,
igr2=1566,1571,
&end
#
# 82 LYS QD 92 TYR QE 3.80
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,
igr1=1410,1411,
igr2=1566,1571,
&end
#
# 81 THR QG2 92 TYR QE 4.56
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65,
igr1=1392,1393,1394,
igr2=1566,1571,
&end
#
# 82 LYS HG2 92 TYR QE 4.23
&rst
ixpk= 0, nxpk= 0, iat=1407, -1, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25,
igr2=1566,1571,
&end
#
# 56 TYR QE 60 THR QG2 4.64
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.25, r4= 6.75,
igr1= 986, 991,
igr2=1046,1047,1048,
&end
#
# 54 ASP H 56 TYR QE 5.50
&rst
ixpk= 0, nxpk= 0, iat= 948, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 986, 991,
&end
#
# 56 TYR QE 62 VAL H 4.18
&rst
ixpk= 0, nxpk= 0, iat= -1,1061, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19,
igr1= 986, 991,
&end
#
# 56 TYR QE 62 VAL HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1063, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 986, 991,
&end
#
# 56 TYR QE 61 GLY HA2 3.90
&rst
ixpk= 0, nxpk= 0, iat= -1,1056, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,
igr1= 986, 991,
&end
#
# 54 ASP QB 56 TYR QE 4.05
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
igr1= 952, 953,
igr2= 986, 991,
&end
#
# 56 TYR QE 62 VAL QG1 3.10
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68,
igr1= 986, 991,
igr2=1067,1068,1069,
&end
#
# 43 HIS HD2 44 MET H 4.72
&rst
ixpk= 0, nxpk= 0, iat= 801, 805, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, &end
#
# 43 HIS HD2 44 MET HA 3.15
&rst
ixpk= 0, nxpk= 0, iat= 801, 807, r1= 1.30, r2= 1.80, r3= 3.15, r4= 3.65, &end
#
# 43 HIS HD2 83 PHE HA 5.19
&rst
ixpk= 0, nxpk= 0, iat= 801,1424, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69, &end
#
# 43 HIS QB 43 HIS HD2 3.97
&rst
ixpk= 0, nxpk= 0, iat= -1, 801, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96,
igr1= 792, 793,
&end
#
# 43 HIS HD2 44 MET HG2 4.91
&rst
ixpk= 0, nxpk= 0, iat= 801, 812, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41, &end
#
# 43 HIS HD2 44 MET HG3 4.53
&rst
ixpk= 0, nxpk= 0, iat= 801, 813, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03, &end
#
# 43 HIS HD2 44 MET QE 3.93
&rst
ixpk= 0, nxpk= 0, iat= 801, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2= 816, 817, 818,
&end
#
# 43 HIS HD2 78 LEU HB3 4.78
&rst
ixpk= 0, nxpk= 0, iat= 801,1346, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28, &end
#
# 40 LEU QD1 43 HIS HD2 4.35
&rst
ixpk= 0, nxpk= 0, iat= -1, 801, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
igr1= 744, 745, 746,
&end
#
# 43 HIS HD2 93 ILE QD1 3.54
&rst
ixpk= 0, nxpk= 0, iat= 801, -1, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75,
igr2=1590,1591,1592,
&end
#
# 47 ALA H 73 TYR QE 4.53
&rst
ixpk= 0, nxpk= 0, iat= 861, -1, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,
igr2=1258,1263,
&end
#
# 47 ALA HA 73 TYR QE 3.35
&rst
ixpk= 0, nxpk= 0, iat= 863, -1, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26,
igr2=1258,1263,
&end
#
# 73 TYR QE 74 ALA HA 4.85
&rst
ixpk= 0, nxpk= 0, iat= -1,1271, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94,
igr1=1258,1263,
&end
#
# 73 TYR QE 77 LYS QE 4.03
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,
igr1=1258,1263,
igr2=1332,1333,
&end
#
# 46 GLU HG3 73 TYR QE 4.42
&rst
ixpk= 0, nxpk= 0, iat= 854, -1, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,
igr2=1258,1263,
&end
#
# 47 ALA QB 73 TYR QE 3.41
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
igr1= 865, 866, 867,
igr2=1258,1263,
&end
#
# 73 TYR QE 77 LYS HB3 3.88
&rst
ixpk= 0, nxpk= 0, iat= -1,1324, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86,
igr1=1258,1263,
&end
#
# 73 TYR QE 77 LYS QG 3.69
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,
igr1=1258,1263,
igr2=1326,1327,
&end
#
# 73 TYR QE 78 LEU QD1 4.16
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1=1258,1263,
igr2=1350,1351,1352,
&end
#
# 43 HIS H 43 HIS HD2 4.99
&rst
ixpk= 0, nxpk= 0, iat= 788, 801, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49, &end
#
# 43 HIS HD2 83 PHE QD 5.03
&rst
ixpk= 0, nxpk= 0, iat= 801, -1, r1= 1.30, r2= 1.80, r3= 5.65, r4= 6.15,
igr2=1430,1438,
&end
#
# 43 HIS HA 43 HIS HD2 4.47
&rst
ixpk= 0, nxpk= 0, iat= 790, 801, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97, &end
#
# 46 GLU HG2 73 TYR QE 4.88
&rst
ixpk= 0, nxpk= 0, iat= 853, -1, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98,
igr2=1258,1263,
&end
#
# 52 TYR QE 54 ASP HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 950, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 927, 932,
&end
#
# 52 TYR QE 62 VAL H 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1061, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 927, 932,
&end
#
# 52 TYR QE 54 ASP H 5.02
&rst
ixpk= 0, nxpk= 0, iat= -1, 948, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13,
igr1= 927, 932,
&end
#
# 52 TYR QE 53 ALA H 5.05
&rst
ixpk= 0, nxpk= 0, iat= -1, 938, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 927, 932,
&end
#
# 52 TYR QE 54 ASP QB 3.66
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,
igr1= 927, 932,
igr2= 952, 953,
&end
#
# 52 TYR QE 62 VAL QG1 3.66
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43,
igr1= 927, 932,
igr2=1067,1068,1069,
&end
#
# 52 TYR QE 53 ALA HA 5.32
&rst
ixpk= 0, nxpk= 0, iat= -1, 940, r1= 1.30, r2= 1.80, r3= 5.97, r4= 6.47,
igr1= 927, 932,
&end
#
# 1 URA H1' 1 URA H6 3.50
&rst
ixpk= 0, nxpk= 0, iat= 10, 13, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,
rk2=50, rk3=50, ir6=1, ialtd=0,
&end
#
# 1 URA H2' 1 URA H6 3.00
&rst
ixpk= 0, nxpk= 0, iat= 25, 13, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 1 URA H3' 1 URA H6 4.00
&rst
ixpk= 0, nxpk= 0, iat= 23, 13, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 1 URA H4' 1 URA H6 5.50
&rst
ixpk= 0, nxpk= 0, iat= 7, 13, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 2 RGUA H8 2 RGUA H1' 3.50
&rst
ixpk= 0, nxpk= 0, iat= 43, 40, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 2 RGUA H8 2 RGUA H2' 4.00
&rst
ixpk= 0, nxpk= 0, iat= 43, 59, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 2 RGUA H8 2 RGUA H3' 5.00
&rst
ixpk= 0, nxpk= 0, iat= 43, 57, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 2 RGUA H8 2 RGUA H4' 5.50
&rst
ixpk= 0, nxpk= 0, iat= 43, 37, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 3 RADE H2 3 RADE H1' 5.00
&rst
ixpk= 0, nxpk= 0, iat= 86, 74, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 3 RADE H8 3 RADE H1' 3.50
&rst
ixpk= 0, nxpk= 0, iat= 77, 74, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 3 RADE H8 3 RADE H2' 3.00
&rst
ixpk= 0, nxpk= 0, iat= 77, 92, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 3 RADE H8 3 RADE H3' 3.50
&rst
ixpk= 0, nxpk= 0, iat= 77, 90, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 3 RADE H8 3 RADE H4' 4.50
&rst
ixpk= 0, nxpk= 0, iat= 77, 71, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 4 RADE H2 4 RADE H1' 6.00
&rst
ixpk= 0, nxpk= 0, iat= 119, 107, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 4 RADE H8 4 RADE H1' 4.00
&rst
ixpk= 0, nxpk= 0, iat= 110, 107, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 4 RADE H8 4 RADE H2' 3.50
&rst
ixpk= 0, nxpk= 0, iat= 110, 125, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 4 RADE H8 4 RADE H3' 4.00
&rst
ixpk= 0, nxpk= 0, iat= 110, 123, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 5 RGUA H1' 5 RGUA H8 4.00
&rst
ixpk= 0, nxpk= 0, iat= 140, 143, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 5 RGUA H2' 5 RGUA H8 4.50
&rst
ixpk= 0, nxpk= 0, iat= 159, 143, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 5 RGUA H3' 5 RGUA H8 3.00
&rst
ixpk= 0, nxpk= 0, iat= 157, 143, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 6 RGUA H1' 6 RGUA H8 4.00
&rst
ixpk= 0, nxpk= 0, iat= 174, 177, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 6 RGUA H2' 6 RGUA H8 3.00
&rst
ixpk= 0, nxpk= 0, iat= 193, 177, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 6 RGUA H3' 6 RGUA H8 4.50
&rst
ixpk= 0, nxpk= 0, iat= 191, 177, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 6 RGUA H4' 6 RGUA H8 5.50
&rst
ixpk= 0, nxpk= 0, iat= 171, 177, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 7 RADE H8 7 RADE H1' 3.30
&rst
ixpk= 0, nxpk= 0, iat= 211, 208, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 7 RADE H8 7 RADE H2' 4.00
&rst
ixpk= 0, nxpk= 0, iat= 211, 226, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 7 RADE H8 7 RADE H3' 3.50
&rst
ixpk= 0, nxpk= 0, iat= 211, 224, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 7 RADE H8 7 RADE H4' 5.00
&rst
ixpk= 0, nxpk= 0, iat= 211, 205, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 7 RADE H2 7 RADE H1' 6.00
&rst
ixpk= 0, nxpk= 0, iat= 220, 208, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 8 RCYT H6 8 RCYT H1' 4.50
&rst
ixpk= 0, nxpk= 0, iat= 244, 241, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 8 RCYT H6 8 RCYT H2' 3.00
&rst
ixpk= 0, nxpk= 0, iat= 244, 257, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 8 RCYT H6 8 RCYT H3' 3.50
&rst
ixpk= 0, nxpk= 0, iat= 244, 255, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 2 RGUA H8 1 URA H2' 6.00
&rst
ixpk= 0, nxpk= 0, iat= 43, 25, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 2 RGUA H8 1 URA H3' 6.00
&rst
ixpk= 0, nxpk= 0, iat= 43, 23, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 3 RADE H8 2 RGUA H1' 5.00
&rst
ixpk= 0, nxpk= 0, iat= 77, 40, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 3 RADE H8 2 RGUA H4' 5.00
&rst
ixpk= 0, nxpk= 0, iat= 77, 37, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 3 RADE H2 2 RGUA H1' 5.50
&rst
ixpk= 0, nxpk= 0, iat= 86, 40, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 3 RADE H2 2 RGUA H4' 5.50
&rst
ixpk= 0, nxpk= 0, iat= 86, 37, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 4 RADE H8 3 RADE H1' 5.30
&rst
ixpk= 0, nxpk= 0, iat= 110, 74, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, &end
#
# 4 RADE H8 3 RADE H2' 4.70
&rst
ixpk= 0, nxpk= 0, iat= 110, 92, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, &end
#
# 4 RADE H8 3 RADE H3' 4.20
&rst
ixpk= 0, nxpk= 0, iat= 110, 90, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 4 RADE H8 3 RADE H4' 5.10
&rst
ixpk= 0, nxpk= 0, iat= 110, 71, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60, &end
#
# 7 RADE H8 6 RGUA H1' 3.70
&rst
ixpk= 0, nxpk= 0, iat= 211, 174, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20, &end
#
# 7 RADE H8 6 RGUA H3' 5.00
&rst
ixpk= 0, nxpk= 0, iat= 211, 191, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 7 RADE H8 6 RGUA H4' 4.00
&rst
ixpk= 0, nxpk= 0, iat= 211, 171, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 7 RADE H1' 6 RGUA H4' 4.00
&rst
ixpk= 0, nxpk= 0, iat= 208, 171, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 7 RADE H1' 6 RGUA H1' 5.00
&rst
ixpk= 0, nxpk= 0, iat= 208, 174, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 8 RCYT H6 7 RADE H3' 4.00
&rst
ixpk= 0, nxpk= 0, iat= 244, 224, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 8 RCYT H6 7 RADE H2' 5.50
&rst
ixpk= 0, nxpk= 0, iat= 244, 226, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 8 RCYT H6 7 RADE H4' 5.00
&rst
ixpk= 0, nxpk= 0, iat= 244, 205, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 8 RCYT H6 7 RADE H8 5.00
&rst
ixpk= 0, nxpk= 0, iat= 244, 211, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 4 RADE H2 55 VAL QG1 6.00
&rst
ixpk= 0, nxpk= 0, iat= 119, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2= 966, 967, 968,
&end
#
# 4 RADE H2 55 VAL QG2 6.00
&rst
ixpk= 0, nxpk= 0, iat= 119, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2= 970, 971, 972,
&end
#
# 5 RGUA H8 37 TRP HH2 3.5
&rst
ixpk= 0, nxpk= 0, iat= 143, 697, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 5 RGUA H8 37 TRP HZ2 4.00
&rst
ixpk= 0, nxpk= 0, iat= 143, 695, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 5 RGUA H8 19 SER HB2 5.00
&rst
ixpk= 0, nxpk= 0, iat= 143, 421, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 5 RGUA H8 19 SER HB3 5.00
&rst
ixpk= 0, nxpk= 0, iat= 143, 422, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 5 RGUA H1 52 TYR QD 4.00
&rst
ixpk= 0, nxpk= 0, iat= 149, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2= 925, 934,
&end
#
# 5 RGUA H1 52 TYR QE 4.00
&rst
ixpk= 0, nxpk= 0, iat= 149, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2= 927, 932,
&end
#
# 5 RGUA H1 37 TRP HB3 3.30
&rst
ixpk= 0, nxpk= 0, iat= 149, 687, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 5 RGUA H1' 37 TRP HZ2 5.00
&rst
ixpk= 0, nxpk= 0, iat= 140, 695, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 5 RGUA H2' 37 TRP HZ2 2.50
&rst
ixpk= 0, nxpk= 0, iat= 159, 695, r1= 1.30, r2= 1.80, r3= 2.50, r4= 3.00, &end
#
# 5 RGUA H3' 37 TRP HZ2 3.00
&rst
ixpk= 0, nxpk= 0, iat= 157, 695, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 6 RGUA H8 38 GLN HG3 6.00
&rst
ixpk= 0, nxpk= 0, iat= 177, 714, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 6 RGUA H8 37 TRP HH2 3.50
&rst
ixpk= 0, nxpk= 0, iat= 177, 697, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 6 RGUA H8 37 TRP HZ2 4.50
&rst
ixpk= 0, nxpk= 0, iat= 177, 695, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 6 RGUA H8 37 TRP HZ3 5.00
&rst
ixpk= 0, nxpk= 0, iat= 177, 699, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 6 RGUA H1' 38 GLN HA 5.00
&rst
ixpk= 0, nxpk= 0, iat= 174, 708, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 6 RGUA H1' 38 GLN HB2 4.50
&rst
ixpk= 0, nxpk= 0, iat= 174, 710, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 6 RGUA H1' 38 GLN HB3 4.50
&rst
ixpk= 0, nxpk= 0, iat= 174, 711, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 6 RGUA H1' 38 GLN HG3 3.50
&rst
ixpk= 0, nxpk= 0, iat= 174, 714, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 6 RGUA H1' 38 GLN HG2 3.00
&rst
ixpk= 0, nxpk= 0, iat= 174, 713, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 6 RGUA H1' 37 TRP HZ2 6.00
&rst
ixpk= 0, nxpk= 0, iat= 174, 695, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 6 RGUA H2' 37 TRP HZ2 5.00
&rst
ixpk= 0, nxpk= 0, iat= 193, 695, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 6 RGUA H1 38 GLN HB2 6.00
&rst
ixpk= 0, nxpk= 0, iat= 183, 710, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 6 RGUA H1 38 GLN HB3 6.00
&rst
ixpk= 0, nxpk= 0, iat= 183, 711, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 6 RGUA H1 41 LYS HB2 6.00
&rst
ixpk= 0, nxpk= 0, iat= 183, 758, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 6 RGUA H1 41 LYS HB3 6.00
&rst
ixpk= 0, nxpk= 0, iat= 183, 759, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 6 RGUA H1 42 ASP HA 5.00
&rst
ixpk= 0, nxpk= 0, iat= 183, 778, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 7 RADE H8 38 GLN HG3 5.00
&rst
ixpk= 0, nxpk= 0, iat= 211, 714, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 7 RADE H8 38 GLN HG2 5.00
&rst
ixpk= 0, nxpk= 0, iat= 211, 713, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 7 RADE H8 38 GLN HB2 6.00
&rst
ixpk= 0, nxpk= 0, iat= 211, 710, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 7 RADE H8 38 GLN HB3 6.00
&rst
ixpk= 0, nxpk= 0, iat= 211, 711, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 7 RADE H2 36 SER HA 4.50
&rst
ixpk= 0, nxpk= 0, iat= 220, 673, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 7 RADE H2 36 SER HB2 3.50
&rst
ixpk= 0, nxpk= 0, iat= 220, 675, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 7 RADE H2 36 SER HB3 3.50
&rst
ixpk= 0, nxpk= 0, iat= 220, 676, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 7 RADE H2 86 HIS HE1 3.50
&rst
ixpk= 0, nxpk= 0, iat= 220,1487, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 7 RADE H2 86 HIS HD2 6.00
&rst
ixpk= 0, nxpk= 0, iat= 220,1491, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 8 RCYT H1' 86 HIS HD2 4.50
&rst
ixpk= 0, nxpk= 0, iat= 241,1491, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 21 ARG HE 52 TYR QE 4.00
&rst
ixpk= 0, nxpk= 0, iat= 465, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2= 927, 932,
&end
#
# 21 ARG HE 52 TYR QD 4.50
&rst
ixpk= 0, nxpk= 0, iat= 465, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 925, 934,
&end
#
# 20 ARG QG 51 CYS HB2 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 910, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 435, 436,
&end
#
# 20 ARG QG 51 CYS HB3 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 911, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 435, 436,
&end
#
# 20 ARG QD 41 LYS HB3 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 759, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 438, 439,
&end
#
# 20 ARG QD 41 LYS HB2 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 758, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 438, 439,
&end
#
# 20 ARG QG 52 TYR QD 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1= 435, 436,
igr2= 925, 934,
&end
#
# 20 ARG QG 19 SER HB2 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 421, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 435, 436,
&end
#
# 20 ARG QG 19 SER HB3 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 422, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 435, 436,
&end
#
# 19 SER HB2 52 TYR QE 5.00
&rst
ixpk= 0, nxpk= 0, iat= 421, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2= 927, 932,
&end
#
# 19 SER HB2 52 TYR QD 4.00
&rst
ixpk= 0, nxpk= 0, iat= 421, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2= 925, 934,
&end
#
# 19 SER HB3 52 TYR QE 5.00
&rst
ixpk= 0, nxpk= 0, iat= 422, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2= 927, 932,
&end
#
# 19 SER HB3 52 TYR QD 4.00
&rst
ixpk= 0, nxpk= 0, iat= 422, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2= 925, 934,
&end
#
# 43 HIS HB2 42 ASP HB2 5.00
&rst
ixpk= 0, nxpk= 0, iat= 792, 780, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 43 HIS HB3 42 ASP HB2 5.00
&rst
ixpk= 0, nxpk= 0, iat= 793, 780, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 43 HIS HB2 42 ASP HB3 5.00
&rst
ixpk= 0, nxpk= 0, iat= 792, 781, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 43 HIS HB3 42 ASP HB3 5.00
&rst
ixpk= 0, nxpk= 0, iat= 793, 781, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 86 HIS HE1 36 SER HB2 3.00
&rst
ixpk= 0, nxpk= 0, iat=1487, 675, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 86 HIS HE1 36 SER HB3 3.00
&rst
ixpk= 0, nxpk= 0, iat=1487, 676, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 86 HIS HE1 87 GLU HG2 4.50
&rst
ixpk= 0, nxpk= 0, iat=1487,1502, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 86 HIS HE1 87 GLU HG3 4.50
&rst
ixpk= 0, nxpk= 0, iat=1487,1503, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 86 HIS HD2 87 GLU HG2 4.00
&rst
ixpk= 0, nxpk= 0, iat=1491,1502, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 86 HIS HD2 87 GLU HG3 4.00
&rst
ixpk= 0, nxpk= 0, iat=1491,1503, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 38 GLN HG3 37 TRP HZ3 4.50
&rst
ixpk= 0, nxpk= 0, iat= 714, 699, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 38 GLN HE22 37 TRP HZ2 3.00
&rst
ixpk= 0, nxpk= 0, iat= 718, 695, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
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