NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type | subtype | subsubtype |
|
|
625038 |
5n8l   |
34103 | cing | 1-original | 7 | AMBER | distance | NOE | simple |
# Restraints file 7: RST.prot-dist
# 32 LYS HB3 57 GLY HA2 4.52
&rst
ixpk= 0, nxpk= 0, iat= 462, 863, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02,
rk2=20, rk3=20, ir6=1, ialtd=0,
&end
#
# 56 VAL QG1 57 GLY HA2 4.95
&rst
ixpk= 0, nxpk= 0, iat= -1, 863, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr1= 851, 852, 853,
&end
#
# 27 GLY HA3 30 ILE HG12 4.48
&rst
ixpk= 0, nxpk= 0, iat= 389, 441, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98, &end
#
# 27 GLY HA3 34 PRO HD3 4.61
&rst
ixpk= 0, nxpk= 0, iat= 389, 495, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11, &end
#
# 32 LYS HB3 57 GLY HA3 4.52
&rst
ixpk= 0, nxpk= 0, iat= 462, 864, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02, &end
#
# 27 GLY HA2 32 LYS QG 4.60
&rst
ixpk= 0, nxpk= 0, iat= 388, -1, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
igr2= 464, 465,
&end
#
# 56 VAL QG1 57 GLY HA3 4.95
&rst
ixpk= 0, nxpk= 0, iat= -1, 864, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr1= 851, 852, 853,
&end
#
# 27 GLY HA2 30 ILE QG2 4.67
&rst
ixpk= 0, nxpk= 0, iat= 388, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2= 437, 438, 439,
&end
#
# 65 GLY HA2 70 ALA QB 4.24
&rst
ixpk= 0, nxpk= 0, iat= 956, -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
igr2=1034,1035,1036,
&end
#
# 65 GLY HA2 71 ALA QB 4.60
&rst
ixpk= 0, nxpk= 0, iat= 956, -1, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02,
igr2=1044,1045,1046,
&end
#
# 65 GLY HA3 66 PRO HD2 4.00
&rst
ixpk= 0, nxpk= 0, iat= 957, 962, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 65 GLY HA3 71 ALA QB 4.60
&rst
ixpk= 0, nxpk= 0, iat= 957, -1, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02,
igr2=1044,1045,1046,
&end
#
# 65 GLY HA3 70 ALA QB 4.24
&rst
ixpk= 0, nxpk= 0, iat= 957, -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
igr2=1034,1035,1036,
&end
#
# 37 ASP HB2 53 ARG QD 4.56
&rst
ixpk= 0, nxpk= 0, iat= 548, -1, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
igr2= 801, 802,
&end
#
# 37 ASP HB2 53 ARG HB3 3.93
&rst
ixpk= 0, nxpk= 0, iat= 548, 796, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, &end
#
# 37 ASP HB3 53 ARG HB3 4.12
&rst
ixpk= 0, nxpk= 0, iat= 549, 796, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62, &end
#
# 63 GLY HA2 75 ALA HA 4.16
&rst
ixpk= 0, nxpk= 0, iat= 932,1113, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66, &end
#
# 63 GLY HA2 74 LYS QB 4.07
&rst
ixpk= 0, nxpk= 0, iat= 932, -1, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07,
igr2=1093,1094,
&end
#
# 63 GLY HA2 75 ALA QB 3.91
&rst
ixpk= 0, nxpk= 0, iat= 932, -1, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,
igr2=1115,1116,1117,
&end
#
# 51 THR QG2 63 GLY HA2 4.92
&rst
ixpk= 0, nxpk= 0, iat= -1, 932, r1= 1.30, r2= 1.80, r3= 5.91, r4= 6.41,
igr1= 763, 764, 765,
&end
#
# 43 GLY HA2 48 PRO HA 4.10
&rst
ixpk= 0, nxpk= 0, iat= 643, 719, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60, &end
#
# 43 GLY HA2 44 GLN QG 4.79
&rst
ixpk= 0, nxpk= 0, iat= 643, -1, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88,
igr2= 655, 656,
&end
#
# 52 PHE HB3 71 ALA QB 4.58
&rst
ixpk= 0, nxpk= 0, iat= 776, -1, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
igr2=1044,1045,1046,
&end
#
# 52 PHE HB2 71 ALA QB 4.58
&rst
ixpk= 0, nxpk= 0, iat= 775, -1, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
igr2=1044,1045,1046,
&end
#
# 53 ARG HA 53 ARG QD 4.42
&rst
ixpk= 0, nxpk= 0, iat= 793, -1, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,
igr2= 801, 802,
&end
#
# 53 ARG QD 60 SER HB2 4.35
&rst
ixpk= 0, nxpk= 0, iat= -1, 898, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,
igr1= 801, 802,
&end
#
# 53 ARG HB3 53 ARG QD 3.58
&rst
ixpk= 0, nxpk= 0, iat= 796, -1, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52,
igr2= 801, 802,
&end
#
# 53 ARG HB2 53 ARG QD 3.41
&rst
ixpk= 0, nxpk= 0, iat= 795, -1, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33,
igr2= 801, 802,
&end
#
# 39 LEU QD2 53 ARG QD 3.64
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,
igr1= 588, 589, 590,
igr2= 801, 802,
&end
#
# 39 LEU QB 39 LEU HG 2.90
&rst
ixpk= 0, nxpk= 0, iat= -1, 582, r1= 1.30, r2= 1.80, r3= 3.26, r4= 3.76,
igr1= 579, 580,
&end
#
# 39 LEU QB 62 THR QG2 4.69
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.32, r4= 6.82,
igr1= 579, 580,
igr2= 922, 923, 924,
&end
#
# 19 PRO HA 22 LEU HB2 4.23
&rst
ixpk= 0, nxpk= 0, iat= 261, 299, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73, &end
#
# 22 LEU HB2 22 LEU QD1 3.33
&rst
ixpk= 0, nxpk= 0, iat= 299, -1, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
igr2= 304, 305, 306,
&end
#
# 22 LEU HB2 22 LEU QD2 3.33
&rst
ixpk= 0, nxpk= 0, iat= 299, -1, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
igr2= 308, 309, 310,
&end
#
# 22 LEU HB3 22 LEU QD1 3.33
&rst
ixpk= 0, nxpk= 0, iat= 300, -1, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
igr2= 304, 305, 306,
&end
#
# 22 LEU HB3 22 LEU QD2 3.33
&rst
ixpk= 0, nxpk= 0, iat= 300, -1, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
igr2= 308, 309, 310,
&end
#
# 38 LEU QD1 68 LYS HE2 4.66
&rst
ixpk= 0, nxpk= 0, iat= -1, 999, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,
igr1= 565, 566, 567,
&end
#
# 38 LEU QD1 68 LYS HE3 4.66
&rst
ixpk= 0, nxpk= 0, iat= -1,1000, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,
igr1= 565, 566, 567,
&end
#
# 77 GLU HA 80 LEU HB2 3.97
&rst
ixpk= 0, nxpk= 0, iat=1133,1176, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47, &end
#
# 80 LEU HB2 83 LEU QD1 4.57
&rst
ixpk= 0, nxpk= 0, iat=1176, -1, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99,
igr2=1239,1240,1241,
&end
#
# 80 LEU HB3 80 LEU QD1 3.22
&rst
ixpk= 0, nxpk= 0, iat=1177, -1, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37,
igr2=1181,1182,1183,
&end
#
# 7 ILE QD1 84 LYS HA 4.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1251, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr1= 86, 87, 88,
&end
#
# 50 PHE QB 52 PHE QD 4.22
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82,
igr1= 741, 742,
igr2= 779, 787,
&end
#
# 50 PHE QB 68 LYS HA 4.52
&rst
ixpk= 0, nxpk= 0, iat= -1, 988, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,
igr1= 741, 742,
&end
#
# 17 LYS QG 17 LYS HE3 3.45
&rst
ixpk= 0, nxpk= 0, iat= -1, 229, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37,
igr1= 222, 223,
&end
#
# 17 LYS QG 17 LYS HE2 3.45
&rst
ixpk= 0, nxpk= 0, iat= -1, 228, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37,
igr1= 222, 223,
&end
#
# 84 LYS HA 84 LYS QE 4.60
&rst
ixpk= 0, nxpk= 0, iat=1251, -1, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
igr2=1262,1263,
&end
#
# 81 LYS HA 84 LYS QE 3.59
&rst
ixpk= 0, nxpk= 0, iat=1193, -1, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53,
igr2=1262,1263,
&end
#
# 84 LYS HB2 84 LYS QE 3.39
&rst
ixpk= 0, nxpk= 0, iat=1253, -1, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31,
igr2=1262,1263,
&end
#
# 84 LYS HB3 84 LYS QE 3.40
&rst
ixpk= 0, nxpk= 0, iat=1254, -1, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32,
igr2=1262,1263,
&end
#
# 80 LEU HB3 84 LYS QE 2.93
&rst
ixpk= 0, nxpk= 0, iat=1177, -1, r1= 1.30, r2= 1.80, r3= 3.29, r4= 3.79,
igr2=1262,1263,
&end
#
# 11 LEU QD1 84 LYS QE 4.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1= 150, 151, 152,
igr2=1262,1263,
&end
#
# 40 LYS HA 40 LYS QE 4.24
&rst
ixpk= 0, nxpk= 0, iat= 596, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr2= 607, 608,
&end
#
# 40 LYS QD 40 LYS QE 2.73
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.44, r4= 3.94,
igr1= 604, 605,
igr2= 607, 608,
&end
#
# 84 LYS QD 84 LYS QE 2.92
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.68, r4= 4.18,
igr1=1259,1260,
igr2=1262,1263,
&end
#
# 40 LYS HG3 40 LYS QE 3.45
&rst
ixpk= 0, nxpk= 0, iat= 602, -1, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37,
igr2= 607, 608,
&end
#
# 40 LYS QE 51 THR QG2 4.46
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.01, r4= 6.51,
igr1= 607, 608,
igr2= 763, 764, 765,
&end
#
# 8 GLU HA 11 LEU HB2 3.88
&rst
ixpk= 0, nxpk= 0, iat= 94, 145, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38, &end
#
# 11 LEU HB2 11 LEU QD1 3.02
&rst
ixpk= 0, nxpk= 0, iat= 145, -1, r1= 1.30, r2= 1.80, r3= 3.63, r4= 4.13,
igr2= 150, 151, 152,
&end
#
# 23 LEU HB2 76 ALA QB 4.33
&rst
ixpk= 0, nxpk= 0, iat= 318, -1, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,
igr2=1125,1126,1127,
&end
#
# 23 LEU HB3 76 ALA QB 4.33
&rst
ixpk= 0, nxpk= 0, iat= 319, -1, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,
igr2=1125,1126,1127,
&end
#
# 36 TYR HB2 52 PHE QD 4.25
&rst
ixpk= 0, nxpk= 0, iat= 527, -1, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,
igr2= 779, 787,
&end
#
# 38 LEU HB2 52 PHE QE 4.73
&rst
ixpk= 0, nxpk= 0, iat= 560, -1, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,
igr2= 781, 785,
&end
#
# 38 LEU HB2 38 LEU QD2 3.39
&rst
ixpk= 0, nxpk= 0, iat= 560, -1, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57,
igr2= 569, 570, 571,
&end
#
# 36 TYR QD 72 LYS HE3 4.91
&rst
ixpk= 0, nxpk= 0, iat= -1,1064, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01,
igr1= 531, 540,
&end
#
# 20 ILE QG2 72 LYS HE3 4.86
&rst
ixpk= 0, nxpk= 0, iat= -1,1064, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
igr1= 271, 272, 273,
&end
#
# 20 ILE QD1 72 LYS HE3 4.66
&rst
ixpk= 0, nxpk= 0, iat= -1,1064, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,
igr1= 278, 279, 280,
&end
#
# 20 ILE QG2 72 LYS HE2 4.86
&rst
ixpk= 0, nxpk= 0, iat= -1,1063, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
igr1= 271, 272, 273,
&end
#
# 72 LYS HG3 72 LYS HE2 4.19
&rst
ixpk= 0, nxpk= 0, iat=1058,1063, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69, &end
#
# 20 ILE QD1 72 LYS HE2 4.66
&rst
ixpk= 0, nxpk= 0, iat= -1,1063, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,
igr1= 278, 279, 280,
&end
#
# 36 TYR QD 72 LYS HE2 4.91
&rst
ixpk= 0, nxpk= 0, iat= -1,1063, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01,
igr1= 531, 540,
&end
#
# 18 THR HB 20 ILE HB 4.90
&rst
ixpk= 0, nxpk= 0, iat= 241, 269, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40, &end
#
# 20 ILE HB 72 LYS QD 4.80
&rst
ixpk= 0, nxpk= 0, iat= 269, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr2=1060,1061,
&end
#
# 10 MET QE 26 TYR HB3 4.96
&rst
ixpk= 0, nxpk= 0, iat= -1, 370, r1= 1.30, r2= 1.80, r3= 5.96, r4= 6.46,
igr1= 135, 136, 137,
&end
#
# 77 GLU HA 77 GLU HG2 3.83
&rst
ixpk= 0, nxpk= 0, iat=1133,1138, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33, &end
#
# 77 GLU HG2 81 LYS QE 4.85
&rst
ixpk= 0, nxpk= 0, iat=1138, -1, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94,
igr2=1204,1205,
&end
#
# 8 GLU HA 8 GLU HG2 3.74
&rst
ixpk= 0, nxpk= 0, iat= 94, 99, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24, &end
#
# 42 GLU HA 42 GLU HG3 3.95
&rst
ixpk= 0, nxpk= 0, iat= 628, 634, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45, &end
#
# 77 GLU HA 77 GLU HG3 3.83
&rst
ixpk= 0, nxpk= 0, iat=1133,1139, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33, &end
#
# 77 GLU HG3 81 LYS QE 4.85
&rst
ixpk= 0, nxpk= 0, iat=1139, -1, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94,
igr2=1204,1205,
&end
#
# 42 GLU HA 42 GLU HG2 3.95
&rst
ixpk= 0, nxpk= 0, iat= 628, 633, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45, &end
#
# 40 LYS HB3 51 THR HB 3.47
&rst
ixpk= 0, nxpk= 0, iat= 599, 761, r1= 1.30, r2= 1.80, r3= 3.47, r4= 3.97, &end
#
# 40 LYS HB3 40 LYS QE 4.22
&rst
ixpk= 0, nxpk= 0, iat= 599, -1, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,
igr2= 607, 608,
&end
#
# 39 LEU QB 40 LYS HB3 4.84
&rst
ixpk= 0, nxpk= 0, iat= -1, 599, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,
igr1= 579, 580,
&end
#
# 40 LYS HB3 51 THR QG2 4.28
&rst
ixpk= 0, nxpk= 0, iat= 599, -1, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
igr2= 763, 764, 765,
&end
#
# 40 LYS HB2 51 THR HB 3.53
&rst
ixpk= 0, nxpk= 0, iat= 598, 761, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03, &end
#
# 40 LYS HB2 40 LYS QE 4.10
&rst
ixpk= 0, nxpk= 0, iat= 598, -1, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
igr2= 607, 608,
&end
#
# 39 LEU QB 40 LYS HB2 4.48
&rst
ixpk= 0, nxpk= 0, iat= -1, 598, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,
igr1= 579, 580,
&end
#
# 40 LYS HB2 51 THR QG2 4.00
&rst
ixpk= 0, nxpk= 0, iat= 598, -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr2= 763, 764, 765,
&end
#
# 36 TYR QD 54 VAL HB 4.09
&rst
ixpk= 0, nxpk= 0, iat= -1, 819, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09,
igr1= 531, 540,
&end
#
# 32 LYS HB2 32 LYS HD2 4.02
&rst
ixpk= 0, nxpk= 0, iat= 461, 467, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52, &end
#
# 30 ILE HG13 32 LYS HB2 4.49
&rst
ixpk= 0, nxpk= 0, iat= 442, 461, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99, &end
#
# 32 LYS HB2 56 VAL QG2 4.58
&rst
ixpk= 0, nxpk= 0, iat= 461, -1, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
igr2= 855, 856, 857,
&end
#
# 27 GLY HA2 32 LYS HB2 4.87
&rst
ixpk= 0, nxpk= 0, iat= 388, 461, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37, &end
#
# 35 VAL HB 55 THR HB 3.04
&rst
ixpk= 0, nxpk= 0, iat= 511, 835, r1= 1.30, r2= 1.80, r3= 3.04, r4= 3.54, &end
#
# 35 VAL HB 55 THR QG2 4.14
&rst
ixpk= 0, nxpk= 0, iat= 511, -1, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47,
igr2= 837, 838, 839,
&end
#
# 43 GLY HA3 44 GLN QG 4.79
&rst
ixpk= 0, nxpk= 0, iat= 644, -1, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88,
igr2= 655, 656,
&end
#
# 39 LEU QD2 53 ARG HB3 3.97
&rst
ixpk= 0, nxpk= 0, iat= -1, 796, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,
igr1= 588, 589, 590,
&end
#
# 39 LEU QD1 53 ARG HB2 4.21
&rst
ixpk= 0, nxpk= 0, iat= -1, 795, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,
igr1= 584, 585, 586,
&end
#
# 64 GLN HA 64 GLN HG2 3.62
&rst
ixpk= 0, nxpk= 0, iat= 939, 944, r1= 1.30, r2= 1.80, r3= 3.62, r4= 4.12, &end
#
# 51 THR HA 64 GLN HG2 3.62
&rst
ixpk= 0, nxpk= 0, iat= 759, 944, r1= 1.30, r2= 1.80, r3= 3.62, r4= 4.12, &end
#
# 64 GLN HG2 71 ALA QB 4.71
&rst
ixpk= 0, nxpk= 0, iat= 944, -1, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
igr2=1044,1045,1046,
&end
#
# 9 GLN HA 9 GLN QG 3.16
&rst
ixpk= 0, nxpk= 0, iat= 109, -1, r1= 1.30, r2= 1.80, r3= 3.55, r4= 4.05,
igr2= 114, 115,
&end
#
# 9 GLN QB 9 GLN QG 2.72
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.43, r4= 3.93,
igr1= 111, 112,
igr2= 114, 115,
&end
#
# 8 GLU QB 9 GLN QG 4.26
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,
igr1= 96, 97,
igr2= 114, 115,
&end
#
# 9 GLN QG 12 ALA QB 4.99
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 114, 115,
igr2= 164, 165, 166,
&end
#
# 64 GLN HA 64 GLN HG3 3.75
&rst
ixpk= 0, nxpk= 0, iat= 939, 945, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25, &end
#
# 17 LYS QB 21 SER HB2 4.22
&rst
ixpk= 0, nxpk= 0, iat= -1, 288, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,
igr1= 219, 220,
&end
#
# 17 LYS QB 21 SER HB3 4.22
&rst
ixpk= 0, nxpk= 0, iat= -1, 289, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,
igr1= 219, 220,
&end
#
# 17 LYS QB 17 LYS HE3 4.30
&rst
ixpk= 0, nxpk= 0, iat= -1, 229, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
igr1= 219, 220,
&end
#
# 17 LYS QB 17 LYS HE2 4.30
&rst
ixpk= 0, nxpk= 0, iat= -1, 228, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
igr1= 219, 220,
&end
#
# 14 ASN QB 17 LYS QB 4.07
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63,
igr1= 184, 185,
igr2= 219, 220,
&end
#
# 17 LYS QB 22 LEU QD1 4.23
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,
igr1= 219, 220,
igr2= 304, 305, 306,
&end
#
# 17 LYS QB 22 LEU QD2 4.23
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,
igr1= 219, 220,
igr2= 308, 309, 310,
&end
#
# 62 THR HA 62 THR HB 3.02
&rst
ixpk= 0, nxpk= 0, iat= 918, 920, r1= 1.30, r2= 1.80, r3= 3.02, r4= 3.52, &end
#
# 53 ARG HA 62 THR HB 4.43
&rst
ixpk= 0, nxpk= 0, iat= 793, 920, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93, &end
#
# 53 ARG HB2 62 THR HB 4.41
&rst
ixpk= 0, nxpk= 0, iat= 795, 920, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91, &end
#
# 51 THR HA 64 GLN HB2 4.85
&rst
ixpk= 0, nxpk= 0, iat= 759, 941, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35, &end
#
# 64 GLN HB2 64 GLN HG3 3.00
&rst
ixpk= 0, nxpk= 0, iat= 941, 945, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 51 THR QG2 64 GLN HB2 4.89
&rst
ixpk= 0, nxpk= 0, iat= -1, 941, r1= 1.30, r2= 1.80, r3= 5.87, r4= 6.37,
igr1= 763, 764, 765,
&end
#
# 63 GLY HA2 64 GLN HB2 4.83
&rst
ixpk= 0, nxpk= 0, iat= 932, 941, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33, &end
#
# 10 MET HG2 11 LEU HG 4.82
&rst
ixpk= 0, nxpk= 0, iat= 131, 148, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32, &end
#
# 10 MET HA 10 MET HG3 3.70
&rst
ixpk= 0, nxpk= 0, iat= 126, 132, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20, &end
#
# 7 ILE HA 10 MET HG3 3.61
&rst
ixpk= 0, nxpk= 0, iat= 75, 132, r1= 1.30, r2= 1.80, r3= 3.61, r4= 4.11, &end
#
# 51 THR HA 64 GLN HB3 4.18
&rst
ixpk= 0, nxpk= 0, iat= 759, 942, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68, &end
#
# 51 THR QG2 64 GLN HB3 4.29
&rst
ixpk= 0, nxpk= 0, iat= -1, 942, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,
igr1= 763, 764, 765,
&end
#
# 61 CYS HB2 79 ALA HA 4.69
&rst
ixpk= 0, nxpk= 0, iat= 909,1164, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19, &end
#
# 61 CYS HB2 75 ALA QB 4.95
&rst
ixpk= 0, nxpk= 0, iat= 909, -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr2=1115,1116,1117,
&end
#
# 61 CYS HB2 78 VAL QG1 4.36
&rst
ixpk= 0, nxpk= 0, iat= 909, -1, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,
igr2=1152,1153,1154,
&end
#
# 34 PRO HA 56 VAL HB 4.55
&rst
ixpk= 0, nxpk= 0, iat= 503, 849, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05, &end
#
# 34 PRO HB3 56 VAL HB 4.81
&rst
ixpk= 0, nxpk= 0, iat= 501, 849, r1= 1.30, r2= 1.80, r3= 4.81, r4= 5.31, &end
#
# 56 VAL HB 83 LEU QD2 3.31
&rst
ixpk= 0, nxpk= 0, iat= 849, -1, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48,
igr2=1243,1244,1245,
&end
#
# 30 ILE QD1 56 VAL HB 4.90
&rst
ixpk= 0, nxpk= 0, iat= -1, 849, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
igr1= 444, 445, 446,
&end
#
# 56 VAL HB 83 LEU QD1 3.93
&rst
ixpk= 0, nxpk= 0, iat= 849, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2=1239,1240,1241,
&end
#
# 54 VAL QG2 56 VAL HB 4.38
&rst
ixpk= 0, nxpk= 0, iat= -1, 849, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76,
igr1= 825, 826, 827,
&end
#
# 61 CYS HB2 75 ALA HA 4.97
&rst
ixpk= 0, nxpk= 0, iat= 909,1113, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47, &end
#
# 84 LYS HB2 84 LYS QD 3.37
&rst
ixpk= 0, nxpk= 0, iat=1253, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr2=1259,1260,
&end
#
# 7 ILE QG2 84 LYS HB2 4.09
&rst
ixpk= 0, nxpk= 0, iat= -1,1253, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,
igr1= 79, 80, 81,
&end
#
# 7 ILE QG2 84 LYS HB3 4.05
&rst
ixpk= 0, nxpk= 0, iat= -1,1254, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
igr1= 79, 80, 81,
&end
#
# 34 PRO HB2 54 VAL QG1 4.97
&rst
ixpk= 0, nxpk= 0, iat= 500, -1, r1= 1.30, r2= 1.80, r3= 5.97, r4= 6.47,
igr2= 821, 822, 823,
&end
#
# 34 PRO HB2 56 VAL QG2 4.03
&rst
ixpk= 0, nxpk= 0, iat= 500, -1, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,
igr2= 855, 856, 857,
&end
#
# 34 PRO HB2 54 VAL QG2 3.72
&rst
ixpk= 0, nxpk= 0, iat= 500, -1, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97,
igr2= 825, 826, 827,
&end
#
# 23 LEU QD1 34 PRO HB3 4.19
&rst
ixpk= 0, nxpk= 0, iat= -1, 501, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,
igr1= 323, 324, 325,
&end
#
# 23 LEU QD2 34 PRO HB3 4.19
&rst
ixpk= 0, nxpk= 0, iat= -1, 501, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,
igr1= 327, 328, 329,
&end
#
# 34 PRO HB3 54 VAL QG1 4.95
&rst
ixpk= 0, nxpk= 0, iat= 501, -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr2= 821, 822, 823,
&end
#
# 20 ILE QD1 72 LYS HB3 3.98
&rst
ixpk= 0, nxpk= 0, iat= -1,1055, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28,
igr1= 278, 279, 280,
&end
#
# 10 MET HB2 13 ALA QB 4.99
&rst
ixpk= 0, nxpk= 0, iat= 128, -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr2= 174, 175, 176,
&end
#
# 81 LYS HA 84 LYS HB2 3.92
&rst
ixpk= 0, nxpk= 0, iat=1193,1253, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42, &end
#
# 69 LYS HA 72 LYS HB3 4.13
&rst
ixpk= 0, nxpk= 0, iat=1010,1055, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63, &end
#
# 72 LYS HB3 72 LYS QD 3.76
&rst
ixpk= 0, nxpk= 0, iat=1055, -1, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72,
igr2=1060,1061,
&end
#
# 69 LYS HA 72 LYS HB2 4.08
&rst
ixpk= 0, nxpk= 0, iat=1010,1054, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58, &end
#
# 72 LYS HB2 72 LYS QD 3.70
&rst
ixpk= 0, nxpk= 0, iat=1054, -1, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65,
igr2=1060,1061,
&end
#
# 20 ILE QD1 72 LYS HB2 4.15
&rst
ixpk= 0, nxpk= 0, iat= -1,1054, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48,
igr1= 278, 279, 280,
&end
#
# 36 TYR QD 72 LYS HB2 4.98
&rst
ixpk= 0, nxpk= 0, iat= -1,1054, r1= 1.30, r2= 1.80, r3= 5.59, r4= 6.09,
igr1= 531, 540,
&end
#
# 81 LYS HB3 81 LYS QE 4.17
&rst
ixpk= 0, nxpk= 0, iat=1196, -1, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,
igr2=1204,1205,
&end
#
# 81 LYS HB3 81 LYS QD 3.63
&rst
ixpk= 0, nxpk= 0, iat=1196, -1, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57,
igr2=1201,1202,
&end
#
# 81 LYS HB3 82 HIS HD2 4.97
&rst
ixpk= 0, nxpk= 0, iat=1196,1226, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47, &end
#
# 78 VAL HA 81 LYS HB2 3.65
&rst
ixpk= 0, nxpk= 0, iat=1148,1195, r1= 1.30, r2= 1.80, r3= 3.65, r4= 4.15, &end
#
# 81 LYS HB2 81 LYS QE 4.18
&rst
ixpk= 0, nxpk= 0, iat=1195, -1, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19,
igr2=1204,1205,
&end
#
# 56 VAL HB 59 THR HB 4.43
&rst
ixpk= 0, nxpk= 0, iat= 849, 884, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93, &end
#
# 59 THR HB 83 LEU HG 4.87
&rst
ixpk= 0, nxpk= 0, iat= 884,1237, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37, &end
#
# 59 THR HB 79 ALA QB 4.43
&rst
ixpk= 0, nxpk= 0, iat= 884, -1, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82,
igr2=1166,1167,1168,
&end
#
# 59 THR HB 83 LEU QD2 3.82
&rst
ixpk= 0, nxpk= 0, iat= 884, -1, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09,
igr2=1243,1244,1245,
&end
#
# 59 THR HB 83 LEU QD1 4.84
&rst
ixpk= 0, nxpk= 0, iat= 884, -1, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31,
igr2=1239,1240,1241,
&end
#
# 40 LYS QE 51 THR HB 4.92
&rst
ixpk= 0, nxpk= 0, iat= -1, 761, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02,
igr1= 607, 608,
&end
#
# 39 LEU HG 51 THR HB 4.64
&rst
ixpk= 0, nxpk= 0, iat= 582, 761, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14, &end
#
# 39 LEU QB 51 THR HB 3.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 761, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 579, 580,
&end
#
# 39 LEU QD2 51 THR HB 4.55
&rst
ixpk= 0, nxpk= 0, iat= -1, 761, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96,
igr1= 588, 589, 590,
&end
#
# 39 LEU QD1 51 THR HB 4.55
&rst
ixpk= 0, nxpk= 0, iat= -1, 761, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96,
igr1= 584, 585, 586,
&end
#
# 51 THR HB 64 GLN HG2 4.90
&rst
ixpk= 0, nxpk= 0, iat= 761, 944, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40, &end
#
# 75 ALA HA 78 VAL HB 3.54
&rst
ixpk= 0, nxpk= 0, iat=1113,1150, r1= 1.30, r2= 1.80, r3= 3.54, r4= 4.04, &end
#
# 61 CYS HB2 78 VAL HB 4.38
&rst
ixpk= 0, nxpk= 0, iat= 909,1150, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88, &end
#
# 61 CYS HB3 78 VAL HB 4.38
&rst
ixpk= 0, nxpk= 0, iat= 910,1150, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88, &end
#
# 54 VAL QG1 78 VAL HB 4.64
&rst
ixpk= 0, nxpk= 0, iat= -1,1150, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07,
igr1= 821, 822, 823,
&end
#
# 33 THR HB 34 PRO HD2 4.04
&rst
ixpk= 0, nxpk= 0, iat= 483, 494, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54, &end
#
# 18 THR HB 19 PRO HG3 4.97
&rst
ixpk= 0, nxpk= 0, iat= 241, 256, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47, &end
#
# 71 ALA HA 74 LYS QB 3.44
&rst
ixpk= 0, nxpk= 0, iat=1042, -1, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36,
igr2=1093,1094,
&end
#
# 63 GLY HA3 74 LYS QB 3.90
&rst
ixpk= 0, nxpk= 0, iat= 933, -1, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,
igr2=1093,1094,
&end
#
# 74 LYS QB 75 ALA QB 4.90
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1093,1094,
igr2=1115,1116,1117,
&end
#
# 76 ALA QB 77 GLU HB2 4.95
&rst
ixpk= 0, nxpk= 0, iat= -1,1135, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr1=1125,1126,1127,
&end
#
# 74 LYS HA 77 GLU HB3 3.78
&rst
ixpk= 0, nxpk= 0, iat=1091,1136, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28, &end
#
# 74 LYS HD2 77 GLU HB3 4.31
&rst
ixpk= 0, nxpk= 0, iat=1099,1136, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81, &end
#
# 19 PRO HG3 77 GLU HB3 4.09
&rst
ixpk= 0, nxpk= 0, iat= 256,1136, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59, &end
#
# 59 THR HB 82 HIS HB2 4.44
&rst
ixpk= 0, nxpk= 0, iat= 884,1217, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94, &end
#
# 82 HIS HB2 83 LEU QD2 4.55
&rst
ixpk= 0, nxpk= 0, iat=1217, -1, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96,
igr2=1243,1244,1245,
&end
#
# 82 HIS HB2 83 LEU QD1 4.85
&rst
ixpk= 0, nxpk= 0, iat=1217, -1, r1= 1.30, r2= 1.80, r3= 5.82, r4= 6.32,
igr2=1239,1240,1241,
&end
#
# 59 THR HB 82 HIS HB3 4.58
&rst
ixpk= 0, nxpk= 0, iat= 884,1218, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08, &end
#
# 82 HIS HB3 83 LEU HG 4.70
&rst
ixpk= 0, nxpk= 0, iat=1218,1237, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, &end
#
# 82 HIS HB3 83 LEU QD2 4.90
&rst
ixpk= 0, nxpk= 0, iat=1218, -1, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
igr2=1243,1244,1245,
&end
#
# 29 ARG HB3 30 ILE QG2 4.76
&rst
ixpk= 0, nxpk= 0, iat= 412, -1, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,
igr2= 437, 438, 439,
&end
#
# 8 GLU QB 9 GLN HA 3.99
&rst
ixpk= 0, nxpk= 0, iat= -1, 109, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98,
igr1= 96, 97,
&end
#
# 7 ILE QG2 8 GLU QB 4.17
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.62, r4= 6.12,
igr1= 79, 80, 81,
igr2= 96, 97,
&end
#
# 32 LYS HD2 57 GLY HA2 4.48
&rst
ixpk= 0, nxpk= 0, iat= 467, 863, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98, &end
#
# 78 VAL HA 81 LYS QD 3.48
&rst
ixpk= 0, nxpk= 0, iat=1148, -1, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41,
igr2=1201,1202,
&end
#
# 81 LYS QD 81 LYS QE 2.58
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.25, r4= 3.75,
igr1=1201,1202,
igr2=1204,1205,
&end
#
# 14 ASN QB 17 LYS HD3 4.37
&rst
ixpk= 0, nxpk= 0, iat= -1, 226, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,
igr1= 184, 185,
&end
#
# 81 LYS HB2 81 LYS QD 2.87
&rst
ixpk= 0, nxpk= 0, iat=1195, -1, r1= 1.30, r2= 1.80, r3= 3.22, r4= 3.72,
igr2=1201,1202,
&end
#
# 17 LYS HD3 22 LEU QD1 4.44
&rst
ixpk= 0, nxpk= 0, iat= 226, -1, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83,
igr2= 304, 305, 306,
&end
#
# 17 LYS HD3 22 LEU QD2 4.44
&rst
ixpk= 0, nxpk= 0, iat= 226, -1, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83,
igr2= 308, 309, 310,
&end
#
# 14 ASN QB 17 LYS HD2 4.37
&rst
ixpk= 0, nxpk= 0, iat= -1, 225, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,
igr1= 184, 185,
&end
#
# 17 LYS HD2 22 LEU QD1 4.44
&rst
ixpk= 0, nxpk= 0, iat= 225, -1, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83,
igr2= 304, 305, 306,
&end
#
# 17 LYS HD2 22 LEU QD2 4.44
&rst
ixpk= 0, nxpk= 0, iat= 225, -1, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83,
igr2= 308, 309, 310,
&end
#
# 8 GLU QB 84 LYS QD 4.47
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13,
igr1= 96, 97,
igr2=1259,1260,
&end
#
# 32 LYS HA 32 LYS HD2 3.57
&rst
ixpk= 0, nxpk= 0, iat= 459, 467, r1= 1.30, r2= 1.80, r3= 3.57, r4= 4.07, &end
#
# 32 LYS HD2 57 GLY HA3 4.48
&rst
ixpk= 0, nxpk= 0, iat= 467, 864, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98, &end
#
# 32 LYS QG 32 LYS HD2 2.97
&rst
ixpk= 0, nxpk= 0, iat= -1, 467, r1= 1.30, r2= 1.80, r3= 3.33, r4= 3.83,
igr1= 464, 465,
&end
#
# 30 ILE QD1 32 LYS HD2 4.44
&rst
ixpk= 0, nxpk= 0, iat= -1, 467, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83,
igr1= 444, 445, 446,
&end
#
# 84 LYS HG2 84 LYS QD 2.63
&rst
ixpk= 0, nxpk= 0, iat=1256, -1, r1= 1.30, r2= 1.80, r3= 2.95, r4= 3.45,
igr2=1259,1260,
&end
#
# 81 LYS HA 84 LYS QD 4.45
&rst
ixpk= 0, nxpk= 0, iat=1193, -1, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49,
igr2=1259,1260,
&end
#
# 84 LYS HB3 84 LYS QD 2.86
&rst
ixpk= 0, nxpk= 0, iat=1254, -1, r1= 1.30, r2= 1.80, r3= 3.21, r4= 3.71,
igr2=1259,1260,
&end
#
# 11 LEU QD1 84 LYS QD 3.90
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76,
igr1= 150, 151, 152,
igr2=1259,1260,
&end
#
# 11 LEU QD2 84 LYS QD 3.90
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76,
igr1= 154, 155, 156,
igr2=1259,1260,
&end
#
# 40 LYS HA 40 LYS QD 4.03
&rst
ixpk= 0, nxpk= 0, iat= 596, -1, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02,
igr2= 604, 605,
&end
#
# 32 LYS HD3 57 GLY HA2 4.48
&rst
ixpk= 0, nxpk= 0, iat= 468, 863, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98, &end
#
# 32 LYS HD3 57 GLY HA3 4.48
&rst
ixpk= 0, nxpk= 0, iat= 468, 864, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98, &end
#
# 32 LYS HB2 32 LYS HD3 4.02
&rst
ixpk= 0, nxpk= 0, iat= 461, 468, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52, &end
#
# 32 LYS QG 32 LYS HD3 2.97
&rst
ixpk= 0, nxpk= 0, iat= -1, 468, r1= 1.30, r2= 1.80, r3= 3.33, r4= 3.83,
igr1= 464, 465,
&end
#
# 30 ILE QD1 32 LYS HD3 4.44
&rst
ixpk= 0, nxpk= 0, iat= -1, 468, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83,
igr1= 444, 445, 446,
&end
#
# 20 ILE QG1 76 ALA QB 3.36
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
igr1= 275, 276,
igr2=1125,1126,1127,
&end
#
# 36 TYR QD 72 LYS QD 4.22
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82,
igr1= 531, 540,
igr2=1060,1061,
&end
#
# 69 LYS HA 72 LYS QD 5.00
&rst
ixpk= 0, nxpk= 0, iat=1010, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2=1060,1061,
&end
#
# 20 ILE QG1 72 LYS QD 3.99
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,
igr1= 275, 276,
igr2=1060,1061,
&end
#
# 52 PHE QD 72 LYS QD 4.95
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.24, r4= 6.74,
igr1= 779, 787,
igr2=1060,1061,
&end
#
# 36 TYR HB3 72 LYS QD 4.91
&rst
ixpk= 0, nxpk= 0, iat= 528, -1, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01,
igr2=1060,1061,
&end
#
# 18 THR HB 19 PRO HG2 4.14
&rst
ixpk= 0, nxpk= 0, iat= 241, 255, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64, &end
#
# 19 PRO HG2 76 ALA QB 4.81
&rst
ixpk= 0, nxpk= 0, iat= 255, -1, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28,
igr2=1125,1126,1127,
&end
#
# 23 LEU QD1 34 PRO HG3 3.82
&rst
ixpk= 0, nxpk= 0, iat= -1, 498, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09,
igr1= 323, 324, 325,
&end
#
# 9 GLN HA 9 GLN QB 2.72
&rst
ixpk= 0, nxpk= 0, iat= 109, -1, r1= 1.30, r2= 1.80, r3= 3.05, r4= 3.55,
igr2= 111, 112,
&end
#
# 9 GLN QB 13 ALA QB 4.01
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.41, r4= 5.91,
igr1= 111, 112,
igr2= 174, 175, 176,
&end
#
# 19 PRO HG3 77 GLU HB2 3.93
&rst
ixpk= 0, nxpk= 0, iat= 256,1135, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, &end
#
# 19 PRO HG3 76 ALA QB 4.81
&rst
ixpk= 0, nxpk= 0, iat= 256, -1, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28,
igr2=1125,1126,1127,
&end
#
# 34 PRO HG2 36 TYR QE 4.89
&rst
ixpk= 0, nxpk= 0, iat= 497, -1, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99,
igr2= 533, 538,
&end
#
# 34 PRO HG2 54 VAL QG2 4.29
&rst
ixpk= 0, nxpk= 0, iat= 497, -1, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,
igr2= 825, 826, 827,
&end
#
# 34 PRO HG2 56 VAL QG2 4.38
&rst
ixpk= 0, nxpk= 0, iat= 497, -1, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76,
igr2= 855, 856, 857,
&end
#
# 19 PRO HA 22 LEU HB3 4.23
&rst
ixpk= 0, nxpk= 0, iat= 261, 300, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73, &end
#
# 19 PRO HA 76 ALA QB 4.35
&rst
ixpk= 0, nxpk= 0, iat= 261, -1, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
igr2=1125,1126,1127,
&end
#
# 77 GLU HA 78 VAL HA 4.82
&rst
ixpk= 0, nxpk= 0, iat=1133,1148, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32, &end
#
# 78 VAL HA 81 LYS QE 4.45
&rst
ixpk= 0, nxpk= 0, iat=1148, -1, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49,
igr2=1204,1205,
&end
#
# 20 ILE HA 76 ALA QB 3.49
&rst
ixpk= 0, nxpk= 0, iat= 267, -1, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69,
igr2=1125,1126,1127,
&end
#
# 20 ILE HA 20 ILE QG1 4.08
&rst
ixpk= 0, nxpk= 0, iat= 267, -1, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
igr2= 275, 276,
&end
#
# 20 ILE HA 72 LYS QD 4.74
&rst
ixpk= 0, nxpk= 0, iat= 267, -1, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82,
igr2=1060,1061,
&end
#
# 74 LYS HA 74 LYS HD3 3.31
&rst
ixpk= 0, nxpk= 0, iat=1091,1100, r1= 1.30, r2= 1.80, r3= 3.31, r4= 3.81, &end
#
# 74 LYS HA 74 LYS HD2 3.29
&rst
ixpk= 0, nxpk= 0, iat=1091,1099, r1= 1.30, r2= 1.80, r3= 3.29, r4= 3.79, &end
#
# 74 LYS QB 74 LYS HD2 3.24
&rst
ixpk= 0, nxpk= 0, iat= -1,1099, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14,
igr1=1093,1094,
&end
#
# 47 GLN HA 48 PRO HG3 4.94
&rst
ixpk= 0, nxpk= 0, iat= 694, 714, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44, &end
#
# 48 PRO HG3 50 PHE HZ 4.97
&rst
ixpk= 0, nxpk= 0, iat= 714, 749, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47, &end
#
# 48 PRO HG2 50 PHE QE 4.22
&rst
ixpk= 0, nxpk= 0, iat= 713, -1, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,
igr2= 747, 751,
&end
#
# 47 GLN HA 48 PRO HG2 4.57
&rst
ixpk= 0, nxpk= 0, iat= 694, 713, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07, &end
#
# 14 ASN HA 15 PRO QG 4.06
&rst
ixpk= 0, nxpk= 0, iat= 182, -1, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06,
igr2= 198, 199,
&end
#
# 74 LYS QB 74 LYS HD3 2.76
&rst
ixpk= 0, nxpk= 0, iat= -1,1100, r1= 1.30, r2= 1.80, r3= 3.10, r4= 3.60,
igr1=1093,1094,
&end
#
# 77 GLU HA 80 LEU HG 4.72
&rst
ixpk= 0, nxpk= 0, iat=1133,1179, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, &end
#
# 80 LEU HA 80 LEU HG 3.96
&rst
ixpk= 0, nxpk= 0, iat=1174,1179, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46, &end
#
# 80 LEU HA 83 LEU HG 4.53
&rst
ixpk= 0, nxpk= 0, iat=1174,1237, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03, &end
#
# 60 SER HB2 61 CYS HA 4.78
&rst
ixpk= 0, nxpk= 0, iat= 898, 907, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28, &end
#
# 53 ARG QD 60 SER HB3 3.59
&rst
ixpk= 0, nxpk= 0, iat= -1, 899, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53,
igr1= 801, 802,
&end
#
# 53 ARG HG2 60 SER HB3 4.07
&rst
ixpk= 0, nxpk= 0, iat= 798, 899, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57, &end
#
# 23 LEU HA 80 LEU HG 4.75
&rst
ixpk= 0, nxpk= 0, iat= 316,1179, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25, &end
#
# 82 HIS HB2 83 LEU HG 4.85
&rst
ixpk= 0, nxpk= 0, iat=1217,1237, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35, &end
#
# 23 LEU HG 54 VAL QG2 4.80
&rst
ixpk= 0, nxpk= 0, iat= 321, -1, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26,
igr2= 825, 826, 827,
&end
#
# 23 LEU HA 23 LEU HG 4.17
&rst
ixpk= 0, nxpk= 0, iat= 316, 321, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67, &end
#
# 11 LEU HA 11 LEU HG 3.41
&rst
ixpk= 0, nxpk= 0, iat= 143, 148, r1= 1.30, r2= 1.80, r3= 3.41, r4= 3.91, &end
#
# 10 MET HG3 11 LEU HG 4.53
&rst
ixpk= 0, nxpk= 0, iat= 132, 148, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03, &end
#
# 23 LEU HG 79 ALA QB 4.23
&rst
ixpk= 0, nxpk= 0, iat= 321, -1, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,
igr2=1166,1167,1168,
&end
#
# 23 LEU HG 83 LEU QD1 4.94
&rst
ixpk= 0, nxpk= 0, iat= 321, -1, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43,
igr2=1239,1240,1241,
&end
#
# 23 LEU HG 34 PRO HG3 4.66
&rst
ixpk= 0, nxpk= 0, iat= 321, 498, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16, &end
#
# 39 LEU HA 39 LEU HG 4.07
&rst
ixpk= 0, nxpk= 0, iat= 577, 582, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57, &end
#
# 38 LEU HG 40 LYS HA 4.80
&rst
ixpk= 0, nxpk= 0, iat= 563, 596, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, &end
#
# 38 LEU HA 38 LEU HG 3.94
&rst
ixpk= 0, nxpk= 0, iat= 558, 563, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44, &end
#
# 23 LEU QD2 34 PRO HA 4.53
&rst
ixpk= 0, nxpk= 0, iat= -1, 503, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94,
igr1= 327, 328, 329,
&end
#
# 23 LEU HA 23 LEU QD2 3.92
&rst
ixpk= 0, nxpk= 0, iat= 316, -1, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
igr2= 327, 328, 329,
&end
#
# 23 LEU QD2 80 LEU HA 4.65
&rst
ixpk= 0, nxpk= 0, iat= -1,1174, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08,
igr1= 327, 328, 329,
&end
#
# 23 LEU QD2 34 PRO HG3 3.82
&rst
ixpk= 0, nxpk= 0, iat= -1, 498, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09,
igr1= 327, 328, 329,
&end
#
# 23 LEU HB2 23 LEU QD2 3.41
&rst
ixpk= 0, nxpk= 0, iat= 318, -1, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,
igr2= 327, 328, 329,
&end
#
# 23 LEU HB3 23 LEU QD2 3.41
&rst
ixpk= 0, nxpk= 0, iat= 319, -1, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,
igr2= 327, 328, 329,
&end
#
# 23 LEU QD2 79 ALA QB 3.06
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 327, 328, 329,
igr2=1166,1167,1168,
&end
#
# 23 LEU QD2 56 VAL QG2 3.12
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,
igr1= 327, 328, 329,
igr2= 855, 856, 857,
&end
#
# 65 GLY HA2 66 PRO HG2 4.87
&rst
ixpk= 0, nxpk= 0, iat= 956, 965, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37, &end
#
# 66 PRO HG2 70 ALA QB 3.96
&rst
ixpk= 0, nxpk= 0, iat= 965, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr2=1034,1035,1036,
&end
#
# 66 PRO HG3 70 ALA QB 4.16
&rst
ixpk= 0, nxpk= 0, iat= 966, -1, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
igr2=1034,1035,1036,
&end
#
# 53 ARG HG2 60 SER HB2 4.95
&rst
ixpk= 0, nxpk= 0, iat= 798, 898, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45, &end
#
# 53 ARG HG2 62 THR QG2 3.74
&rst
ixpk= 0, nxpk= 0, iat= 798, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2= 922, 923, 924,
&end
#
# 53 ARG HG2 62 THR HA 4.75
&rst
ixpk= 0, nxpk= 0, iat= 798, 918, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25, &end
#
# 53 ARG HA 53 ARG HG2 3.93
&rst
ixpk= 0, nxpk= 0, iat= 793, 798, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, &end
#
# 65 GLY HA3 66 PRO HG2 4.87
&rst
ixpk= 0, nxpk= 0, iat= 957, 965, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37, &end
#
# 53 ARG HG3 60 SER HB3 4.89
&rst
ixpk= 0, nxpk= 0, iat= 799, 899, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39, &end
#
# 53 ARG HG3 62 THR QG2 3.97
&rst
ixpk= 0, nxpk= 0, iat= 799, -1, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,
igr2= 922, 923, 924,
&end
#
# 53 ARG HA 53 ARG HG3 4.19
&rst
ixpk= 0, nxpk= 0, iat= 793, 799, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69, &end
#
# 53 ARG HG3 60 SER HB2 4.92
&rst
ixpk= 0, nxpk= 0, iat= 799, 898, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42, &end
#
# 27 GLY HA2 30 ILE HG12 4.09
&rst
ixpk= 0, nxpk= 0, iat= 388, 441, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59, &end
#
# 27 GLY HA3 30 ILE HG13 4.39
&rst
ixpk= 0, nxpk= 0, iat= 389, 442, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89, &end
#
# 27 GLY HA2 30 ILE HG13 4.08
&rst
ixpk= 0, nxpk= 0, iat= 388, 442, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58, &end
#
# 30 ILE HG13 32 LYS HB3 4.46
&rst
ixpk= 0, nxpk= 0, iat= 442, 462, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96, &end
#
# 80 LEU HA 80 LEU QD1 3.74
&rst
ixpk= 0, nxpk= 0, iat=1174, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2=1181,1182,1183,
&end
#
# 80 LEU HB2 80 LEU QD1 3.36
&rst
ixpk= 0, nxpk= 0, iat=1176, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr2=1181,1182,1183,
&end
#
# 38 LEU QD2 50 PHE QE 4.28
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.77, r4= 6.27,
igr1= 569, 570, 571,
igr2= 747, 751,
&end
#
# 38 LEU QD2 50 PHE QD 3.59
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,
igr1= 569, 570, 571,
igr2= 745, 753,
&end
#
# 38 LEU QD2 41 ALA HA 4.31
&rst
ixpk= 0, nxpk= 0, iat= -1, 618, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68,
igr1= 569, 570, 571,
&end
#
# 38 LEU HA 38 LEU QD2 3.96
&rst
ixpk= 0, nxpk= 0, iat= 558, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr2= 569, 570, 571,
&end
#
# 38 LEU QD2 68 LYS HE2 4.66
&rst
ixpk= 0, nxpk= 0, iat= -1, 999, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,
igr1= 569, 570, 571,
&end
#
# 38 LEU QD2 68 LYS HE3 4.66
&rst
ixpk= 0, nxpk= 0, iat= -1,1000, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,
igr1= 569, 570, 571,
&end
#
# 38 LEU HB3 38 LEU QD2 3.27
&rst
ixpk= 0, nxpk= 0, iat= 561, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 569, 570, 571,
&end
#
# 38 LEU QD2 41 ALA QB 3.32
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,
igr1= 569, 570, 571,
igr2= 620, 621, 622,
&end
#
# 52 PHE QD 72 LYS HG2 4.66
&rst
ixpk= 0, nxpk= 0, iat= -1,1057, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73,
igr1= 779, 787,
&end
#
# 52 PHE QD 72 LYS HG3 4.95
&rst
ixpk= 0, nxpk= 0, iat= -1,1058, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
igr1= 779, 787,
&end
#
# 36 TYR QD 72 LYS HG3 4.16
&rst
ixpk= 0, nxpk= 0, iat= -1,1058, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,
igr1= 531, 540,
&end
#
# 72 LYS HG3 72 LYS HE3 4.19
&rst
ixpk= 0, nxpk= 0, iat=1058,1064, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69, &end
#
# 20 ILE QD1 72 LYS HG3 4.28
&rst
ixpk= 0, nxpk= 0, iat= -1,1058, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
igr1= 278, 279, 280,
&end
#
# 36 TYR HB3 72 LYS HG3 4.96
&rst
ixpk= 0, nxpk= 0, iat= 528,1058, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46, &end
#
# 49 ASN HA 66 PRO HA 3.94
&rst
ixpk= 0, nxpk= 0, iat= 725, 971, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44, &end
#
# 11 LEU HA 15 PRO HA 4.54
&rst
ixpk= 0, nxpk= 0, iat= 143, 204, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04, &end
#
# 14 ASN QB 15 PRO HA 4.91
&rst
ixpk= 0, nxpk= 0, iat= -1, 204, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01,
igr1= 184, 185,
&end
#
# 6 SER HB2 8 GLU QB 4.91
&rst
ixpk= 0, nxpk= 0, iat= 66, -1, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01,
igr2= 96, 97,
&end
#
# 6 SER HB3 8 GLU QB 4.91
&rst
ixpk= 0, nxpk= 0, iat= 67, -1, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01,
igr2= 96, 97,
&end
#
# 78 VAL HA 81 LYS HG3 4.57
&rst
ixpk= 0, nxpk= 0, iat=1148,1199, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07, &end
#
# 81 LYS HG3 81 LYS QE 3.44
&rst
ixpk= 0, nxpk= 0, iat=1199, -1, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36,
igr2=1204,1205,
&end
#
# 14 ASN QB 17 LYS QG 3.93
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1= 184, 185,
igr2= 222, 223,
&end
#
# 17 LYS QG 22 LEU QD1 4.38
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,
igr1= 222, 223,
igr2= 304, 305, 306,
&end
#
# 17 LYS QG 22 LEU QD2 4.38
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,
igr1= 222, 223,
igr2= 308, 309, 310,
&end
#
# 78 VAL HA 81 LYS HG2 4.57
&rst
ixpk= 0, nxpk= 0, iat=1148,1198, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07, &end
#
# 81 LYS HG2 81 LYS QE 3.44
&rst
ixpk= 0, nxpk= 0, iat=1198, -1, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36,
igr2=1204,1205,
&end
#
# 39 LEU QD2 52 PHE HA 4.88
&rst
ixpk= 0, nxpk= 0, iat= -1, 773, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36,
igr1= 588, 589, 590,
&end
#
# 39 LEU QB 39 LEU QD2 2.62
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1= 579, 580,
igr2= 588, 589, 590,
&end
#
# 39 LEU QD2 51 THR QG2 3.83
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02,
igr1= 588, 589, 590,
igr2= 763, 764, 765,
&end
#
# 80 LEU HA 83 LEU QD1 3.45
&rst
ixpk= 0, nxpk= 0, iat=1174, -1, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64,
igr2=1239,1240,1241,
&end
#
# 83 LEU HB2 83 LEU QD1 3.42
&rst
ixpk= 0, nxpk= 0, iat=1234, -1, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,
igr2=1239,1240,1241,
&end
#
# 83 LEU HB3 83 LEU QD1 3.42
&rst
ixpk= 0, nxpk= 0, iat=1235, -1, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,
igr2=1239,1240,1241,
&end
#
# 56 VAL QG1 83 LEU QD1 2.77
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
igr1= 851, 852, 853,
igr2=1239,1240,1241,
&end
#
# 54 VAL QG2 83 LEU QD1 4.92
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.10, r4= 7.60,
igr1= 825, 826, 827,
igr2=1239,1240,1241,
&end
#
# 11 LEU QD2 84 LYS QE 4.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1= 154, 155, 156,
igr2=1262,1263,
&end
#
# 11 LEU HB2 11 LEU QD2 3.02
&rst
ixpk= 0, nxpk= 0, iat= 145, -1, r1= 1.30, r2= 1.80, r3= 3.63, r4= 4.13,
igr2= 154, 155, 156,
&end
#
# 8 GLU HA 11 LEU QD2 4.32
&rst
ixpk= 0, nxpk= 0, iat= 94, -1, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,
igr2= 154, 155, 156,
&end
#
# 39 LEU QD2 53 ARG HB2 4.21
&rst
ixpk= 0, nxpk= 0, iat= -1, 795, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,
igr1= 588, 589, 590,
&end
#
# 4 LEU HA 4 LEU QD2 3.43
&rst
ixpk= 0, nxpk= 0, iat= 31, -1, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62,
igr2= 42, 43, 44,
&end
#
# 7 ILE QG2 84 LYS HG2 4.04
&rst
ixpk= 0, nxpk= 0, iat= -1,1256, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
igr1= 79, 80, 81,
&end
#
# 84 LYS HA 84 LYS HG2 3.43
&rst
ixpk= 0, nxpk= 0, iat=1251,1256, r1= 1.30, r2= 1.80, r3= 3.43, r4= 3.93, &end
#
# 84 LYS HG2 84 LYS QE 3.35
&rst
ixpk= 0, nxpk= 0, iat=1256, -1, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26,
igr2=1262,1263,
&end
#
# 84 LYS HG3 84 LYS QE 3.35
&rst
ixpk= 0, nxpk= 0, iat=1257, -1, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26,
igr2=1262,1263,
&end
#
# 84 LYS HG3 84 LYS QD 2.63
&rst
ixpk= 0, nxpk= 0, iat=1257, -1, r1= 1.30, r2= 1.80, r3= 2.95, r4= 3.45,
igr2=1259,1260,
&end
#
# 7 ILE QG2 84 LYS HG3 4.04
&rst
ixpk= 0, nxpk= 0, iat= -1,1257, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
igr1= 79, 80, 81,
&end
#
# 43 GLY HA3 48 PRO HA 4.10
&rst
ixpk= 0, nxpk= 0, iat= 644, 719, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60, &end
#
# 59 THR HA 60 SER HA 4.76
&rst
ixpk= 0, nxpk= 0, iat= 882, 896, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26, &end
#
# 7 ILE HA 10 MET HG2 3.40
&rst
ixpk= 0, nxpk= 0, iat= 75, 131, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90, &end
#
# 40 LYS HG2 40 LYS QE 3.45
&rst
ixpk= 0, nxpk= 0, iat= 601, -1, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37,
igr2= 607, 608,
&end
#
# 32 LYS HB2 32 LYS QG 2.98
&rst
ixpk= 0, nxpk= 0, iat= 461, -1, r1= 1.30, r2= 1.80, r3= 3.34, r4= 3.84,
igr2= 464, 465,
&end
#
# 7 ILE HA 10 MET HB3 4.99
&rst
ixpk= 0, nxpk= 0, iat= 75, 129, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49, &end
#
# 63 GLY HA2 74 LYS HG2 4.12
&rst
ixpk= 0, nxpk= 0, iat= 932,1096, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62, &end
#
# 74 LYS HA 74 LYS HG2 4.01
&rst
ixpk= 0, nxpk= 0, iat=1091,1096, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51, &end
#
# 63 GLY HA3 74 LYS HG2 4.23
&rst
ixpk= 0, nxpk= 0, iat= 933,1096, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73, &end
#
# 63 GLY HA2 74 LYS HG3 3.94
&rst
ixpk= 0, nxpk= 0, iat= 932,1097, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44, &end
#
# 74 LYS HA 74 LYS HG3 3.85
&rst
ixpk= 0, nxpk= 0, iat=1091,1097, r1= 1.30, r2= 1.80, r3= 3.85, r4= 4.35, &end
#
# 74 LYS HG3 75 ALA HA 4.32
&rst
ixpk= 0, nxpk= 0, iat=1097,1113, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82, &end
#
# 63 GLY HA3 74 LYS HG3 4.00
&rst
ixpk= 0, nxpk= 0, iat= 933,1097, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 32 LYS HA 32 LYS QG 3.18
&rst
ixpk= 0, nxpk= 0, iat= 459, -1, r1= 1.30, r2= 1.80, r3= 3.57, r4= 4.07,
igr2= 464, 465,
&end
#
# 30 ILE HB 32 LYS QG 4.73
&rst
ixpk= 0, nxpk= 0, iat= 435, -1, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,
igr2= 464, 465,
&end
#
# 32 LYS HB3 32 LYS QG 2.87
&rst
ixpk= 0, nxpk= 0, iat= 462, -1, r1= 1.30, r2= 1.80, r3= 3.22, r4= 3.72,
igr2= 464, 465,
&end
#
# 30 ILE HG13 32 LYS QG 3.64
&rst
ixpk= 0, nxpk= 0, iat= 442, -1, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59,
igr2= 464, 465,
&end
#
# 32 LYS QG 56 VAL QG1 3.67
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1= 464, 465,
igr2= 851, 852, 853,
&end
#
# 30 ILE QG2 32 LYS QG 4.20
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
igr1= 437, 438, 439,
igr2= 464, 465,
&end
#
# 38 LEU QD1 50 PHE QD 3.59
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,
igr1= 565, 566, 567,
igr2= 745, 753,
&end
#
# 38 LEU QD1 41 ALA HA 4.31
&rst
ixpk= 0, nxpk= 0, iat= -1, 618, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68,
igr1= 565, 566, 567,
&end
#
# 38 LEU HA 38 LEU QD1 3.96
&rst
ixpk= 0, nxpk= 0, iat= 558, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr2= 565, 566, 567,
&end
#
# 38 LEU HB3 38 LEU QD1 3.27
&rst
ixpk= 0, nxpk= 0, iat= 561, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 565, 566, 567,
&end
#
# 38 LEU HB2 38 LEU QD1 3.39
&rst
ixpk= 0, nxpk= 0, iat= 560, -1, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57,
igr2= 565, 566, 567,
&end
#
# 23 LEU QD1 34 PRO HA 4.53
&rst
ixpk= 0, nxpk= 0, iat= -1, 503, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94,
igr1= 323, 324, 325,
&end
#
# 80 LEU HB2 80 LEU QD2 3.36
&rst
ixpk= 0, nxpk= 0, iat=1176, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr2=1185,1186,1187,
&end
#
# 80 LEU HB3 80 LEU QD2 3.22
&rst
ixpk= 0, nxpk= 0, iat=1177, -1, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37,
igr2=1185,1186,1187,
&end
#
# 51 THR HA 64 GLN HA 3.27
&rst
ixpk= 0, nxpk= 0, iat= 759, 939, r1= 1.30, r2= 1.80, r3= 3.27, r4= 3.77, &end
#
# 51 THR HA 64 GLN HG3 4.04
&rst
ixpk= 0, nxpk= 0, iat= 759, 945, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54, &end
#
# 26 TYR HA 26 TYR QE 4.92
&rst
ixpk= 0, nxpk= 0, iat= 367, -1, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02,
igr2= 375, 380,
&end
#
# 23 LEU HA 23 LEU QD1 3.92
&rst
ixpk= 0, nxpk= 0, iat= 316, -1, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
igr2= 323, 324, 325,
&end
#
# 23 LEU HB2 23 LEU QD1 3.41
&rst
ixpk= 0, nxpk= 0, iat= 318, -1, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,
igr2= 323, 324, 325,
&end
#
# 23 LEU HB3 23 LEU QD1 3.41
&rst
ixpk= 0, nxpk= 0, iat= 319, -1, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,
igr2= 323, 324, 325,
&end
#
# 23 LEU QD1 79 ALA QB 3.06
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 323, 324, 325,
igr2=1166,1167,1168,
&end
#
# 23 LEU QD1 54 VAL QG2 3.64
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75,
igr1= 323, 324, 325,
igr2= 825, 826, 827,
&end
#
# 35 VAL HA 35 VAL QG1 3.14
&rst
ixpk= 0, nxpk= 0, iat= 509, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr2= 513, 514, 515,
&end
#
# 35 VAL HA 54 VAL QG2 4.72
&rst
ixpk= 0, nxpk= 0, iat= 509, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr2= 825, 826, 827,
&end
#
# 55 THR HA 60 SER HB3 3.94
&rst
ixpk= 0, nxpk= 0, iat= 833, 899, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44, &end
#
# 54 VAL QG1 55 THR HA 4.47
&rst
ixpk= 0, nxpk= 0, iat= -1, 833, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,
igr1= 821, 822, 823,
&end
#
# 54 VAL QG2 55 THR HA 4.62
&rst
ixpk= 0, nxpk= 0, iat= -1, 833, r1= 1.30, r2= 1.80, r3= 5.55, r4= 6.05,
igr1= 825, 826, 827,
&end
#
# 29 ARG HB2 30 ILE HA 4.96
&rst
ixpk= 0, nxpk= 0, iat= 411, 433, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46, &end
#
# 52 PHE QD 68 LYS HA 3.81
&rst
ixpk= 0, nxpk= 0, iat= -1, 988, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78,
igr1= 779, 787,
&end
#
# 50 PHE QD 68 LYS HA 4.65
&rst
ixpk= 0, nxpk= 0, iat= -1, 988, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
igr1= 745, 753,
&end
#
# 75 ALA HA 78 VAL QG1 4.25
&rst
ixpk= 0, nxpk= 0, iat=1113, -1, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
igr2=1152,1153,1154,
&end
#
# 78 VAL HA 78 VAL QG1 2.70
&rst
ixpk= 0, nxpk= 0, iat=1148, -1, r1= 1.30, r2= 1.80, r3= 3.24, r4= 3.74,
igr2=1152,1153,1154,
&end
#
# 78 VAL QG1 81 LYS QE 4.68
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.31, r4= 6.81,
igr1=1152,1153,1154,
igr2=1204,1205,
&end
#
# 61 CYS HB3 78 VAL QG1 4.36
&rst
ixpk= 0, nxpk= 0, iat= 910, -1, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,
igr2=1152,1153,1154,
&end
#
# 54 VAL QG1 78 VAL QG1 4.79
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.91, r4= 7.41,
igr1= 821, 822, 823,
igr2=1152,1153,1154,
&end
#
# 33 THR HA 34 PRO HD3 3.47
&rst
ixpk= 0, nxpk= 0, iat= 481, 495, r1= 1.30, r2= 1.80, r3= 3.47, r4= 3.97, &end
#
# 27 GLY HA3 33 THR HA 3.63
&rst
ixpk= 0, nxpk= 0, iat= 389, 481, r1= 1.30, r2= 1.80, r3= 3.63, r4= 4.13, &end
#
# 27 GLY HA2 33 THR HA 4.90
&rst
ixpk= 0, nxpk= 0, iat= 388, 481, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40, &end
#
# 33 THR HA 34 PRO HG3 4.38
&rst
ixpk= 0, nxpk= 0, iat= 481, 498, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88, &end
#
# 33 THR HA 34 PRO HG2 4.38
&rst
ixpk= 0, nxpk= 0, iat= 481, 497, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88, &end
#
# 52 PHE QD 72 LYS HA 4.43
&rst
ixpk= 0, nxpk= 0, iat= -1,1052, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47,
igr1= 779, 787,
&end
#
# 71 ALA QB 72 LYS HA 4.69
&rst
ixpk= 0, nxpk= 0, iat= -1,1052, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13,
igr1=1044,1045,1046,
&end
#
# 72 LYS HA 72 LYS QD 4.14
&rst
ixpk= 0, nxpk= 0, iat=1052, -1, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,
igr2=1060,1061,
&end
#
# 72 LYS HA 72 LYS HG2 4.09
&rst
ixpk= 0, nxpk= 0, iat=1052,1057, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59, &end
#
# 72 LYS HA 72 LYS HG3 3.96
&rst
ixpk= 0, nxpk= 0, iat=1052,1058, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46, &end
#
# 36 TYR QE 72 LYS HA 4.33
&rst
ixpk= 0, nxpk= 0, iat= -1,1052, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
igr1= 533, 538,
&end
#
# 52 PHE HB3 72 LYS HA 4.52
&rst
ixpk= 0, nxpk= 0, iat= 776,1052, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02, &end
#
# 52 PHE HB2 72 LYS HA 4.52
&rst
ixpk= 0, nxpk= 0, iat= 775,1052, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02, &end
#
# 39 LEU QD1 53 ARG HA 4.35
&rst
ixpk= 0, nxpk= 0, iat= -1, 793, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
igr1= 584, 585, 586,
&end
#
# 39 LEU QD1 52 PHE HA 4.88
&rst
ixpk= 0, nxpk= 0, iat= -1, 773, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36,
igr1= 584, 585, 586,
&end
#
# 39 LEU QD1 53 ARG QD 3.64
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,
igr1= 584, 585, 586,
igr2= 801, 802,
&end
#
# 39 LEU QD1 53 ARG HB3 3.97
&rst
ixpk= 0, nxpk= 0, iat= -1, 796, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,
igr1= 584, 585, 586,
&end
#
# 39 LEU QB 39 LEU QD1 2.62
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1= 579, 580,
igr2= 584, 585, 586,
&end
#
# 39 LEU QD1 51 THR QG2 3.83
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02,
igr1= 584, 585, 586,
igr2= 763, 764, 765,
&end
#
# 75 ALA HA 78 VAL QG2 4.25
&rst
ixpk= 0, nxpk= 0, iat=1113, -1, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
igr2=1156,1157,1158,
&end
#
# 78 VAL HA 78 VAL QG2 2.70
&rst
ixpk= 0, nxpk= 0, iat=1148, -1, r1= 1.30, r2= 1.80, r3= 3.24, r4= 3.74,
igr2=1156,1157,1158,
&end
#
# 61 CYS HB2 78 VAL QG2 4.36
&rst
ixpk= 0, nxpk= 0, iat= 909, -1, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,
igr2=1156,1157,1158,
&end
#
# 78 VAL QG2 81 LYS QE 4.68
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.31, r4= 6.81,
igr1=1156,1157,1158,
igr2=1204,1205,
&end
#
# 61 CYS HB3 78 VAL QG2 4.36
&rst
ixpk= 0, nxpk= 0, iat= 910, -1, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,
igr2=1156,1157,1158,
&end
#
# 54 VAL QG1 78 VAL QG2 4.79
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.91, r4= 7.41,
igr1= 821, 822, 823,
igr2=1156,1157,1158,
&end
#
# 36 TYR QD 54 VAL QG2 3.93
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 531, 540,
igr2= 825, 826, 827,
&end
#
# 36 TYR HA 54 VAL QG2 4.19
&rst
ixpk= 0, nxpk= 0, iat= 525, -1, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,
igr2= 825, 826, 827,
&end
#
# 54 VAL HA 54 VAL QG2 2.93
&rst
ixpk= 0, nxpk= 0, iat= 817, -1, r1= 1.30, r2= 1.80, r3= 3.52, r4= 4.02,
igr2= 825, 826, 827,
&end
#
# 34 PRO HA 54 VAL QG2 3.74
&rst
ixpk= 0, nxpk= 0, iat= 503, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2= 825, 826, 827,
&end
#
# 54 VAL QG2 56 VAL HA 4.39
&rst
ixpk= 0, nxpk= 0, iat= -1, 847, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77,
igr1= 825, 826, 827,
&end
#
# 54 VAL QG2 76 ALA HA 3.88
&rst
ixpk= 0, nxpk= 0, iat= -1,1123, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,
igr1= 825, 826, 827,
&end
#
# 34 PRO HG3 54 VAL QG2 4.16
&rst
ixpk= 0, nxpk= 0, iat= 498, -1, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
igr2= 825, 826, 827,
&end
#
# 34 PRO HB3 54 VAL QG2 3.13
&rst
ixpk= 0, nxpk= 0, iat= 501, -1, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26,
igr2= 825, 826, 827,
&end
#
# 54 VAL QG2 79 ALA QB 3.41
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,
igr1= 825, 826, 827,
igr2=1166,1167,1168,
&end
#
# 23 LEU QD2 54 VAL QG2 3.64
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75,
igr1= 327, 328, 329,
igr2= 825, 826, 827,
&end
#
# 18 THR HA 19 PRO QD 3.46
&rst
ixpk= 0, nxpk= 0, iat= 239, -1, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38,
igr2= 252, 253,
&end
#
# 18 THR HA 19 PRO HG2 4.63
&rst
ixpk= 0, nxpk= 0, iat= 239, 255, r1= 1.30, r2= 1.80, r3= 4.63, r4= 5.13, &end
#
# 18 THR HA 19 PRO HG3 4.72
&rst
ixpk= 0, nxpk= 0, iat= 239, 256, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, &end
#
# 18 THR HA 18 THR QG2 3.37
&rst
ixpk= 0, nxpk= 0, iat= 239, -1, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55,
igr2= 243, 244, 245,
&end
#
# 55 THR HA 56 VAL HA 4.79
&rst
ixpk= 0, nxpk= 0, iat= 833, 847, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29, &end
#
# 34 PRO HA 56 VAL HA 3.46
&rst
ixpk= 0, nxpk= 0, iat= 503, 847, r1= 1.30, r2= 1.80, r3= 3.46, r4= 3.96, &end
#
# 55 THR HB 56 VAL HA 4.79
&rst
ixpk= 0, nxpk= 0, iat= 835, 847, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29, &end
#
# 34 PRO HB3 56 VAL HA 4.65
&rst
ixpk= 0, nxpk= 0, iat= 501, 847, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15, &end
#
# 55 THR QG2 56 VAL HA 4.20
&rst
ixpk= 0, nxpk= 0, iat= -1, 847, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr1= 837, 838, 839,
&end
#
# 62 THR HA 62 THR QG2 2.65
&rst
ixpk= 0, nxpk= 0, iat= 918, -1, r1= 1.30, r2= 1.80, r3= 3.18, r4= 3.68,
igr2= 922, 923, 924,
&end
#
# 53 ARG HA 62 THR QG2 2.86
&rst
ixpk= 0, nxpk= 0, iat= 793, -1, r1= 1.30, r2= 1.80, r3= 3.43, r4= 3.93,
igr2= 922, 923, 924,
&end
#
# 61 CYS HA 62 THR QG2 3.99
&rst
ixpk= 0, nxpk= 0, iat= 907, -1, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,
igr2= 922, 923, 924,
&end
#
# 53 ARG QD 62 THR QG2 3.43
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
igr1= 801, 802,
igr2= 922, 923, 924,
&end
#
# 53 ARG HB3 62 THR QG2 3.53
&rst
ixpk= 0, nxpk= 0, iat= 796, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr2= 922, 923, 924,
&end
#
# 53 ARG HB2 62 THR QG2 2.79
&rst
ixpk= 0, nxpk= 0, iat= 795, -1, r1= 1.30, r2= 1.80, r3= 3.35, r4= 3.85,
igr2= 922, 923, 924,
&end
#
# 39 LEU QD2 62 THR QG2 3.37
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
igr1= 588, 589, 590,
igr2= 922, 923, 924,
&end
#
# 39 LEU QD1 62 THR QG2 3.37
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
igr1= 584, 585, 586,
igr2= 922, 923, 924,
&end
#
# 8 GLU HA 8 GLU HG3 3.74
&rst
ixpk= 0, nxpk= 0, iat= 94, 100, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24, &end
#
# 8 GLU HA 10 MET HG3 4.85
&rst
ixpk= 0, nxpk= 0, iat= 94, 132, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35, &end
#
# 8 GLU HA 8 GLU QB 2.79
&rst
ixpk= 0, nxpk= 0, iat= 94, -1, r1= 1.30, r2= 1.80, r3= 3.13, r4= 3.63,
igr2= 96, 97,
&end
#
# 8 GLU HA 11 LEU HG 4.42
&rst
ixpk= 0, nxpk= 0, iat= 94, 148, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92, &end
#
# 8 GLU HA 11 LEU QD1 4.32
&rst
ixpk= 0, nxpk= 0, iat= 94, -1, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,
igr2= 150, 151, 152,
&end
#
# 41 ALA QB 50 PHE HA 4.52
&rst
ixpk= 0, nxpk= 0, iat= -1, 739, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,
igr1= 620, 621, 622,
&end
#
# 38 LEU HB3 41 ALA QB 4.58
&rst
ixpk= 0, nxpk= 0, iat= 561, -1, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
igr2= 620, 621, 622,
&end
#
# 38 LEU HG 41 ALA QB 3.22
&rst
ixpk= 0, nxpk= 0, iat= 563, -1, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37,
igr2= 620, 621, 622,
&end
#
# 38 LEU QD1 41 ALA QB 3.32
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,
igr1= 565, 566, 567,
igr2= 620, 621, 622,
&end
#
# 51 THR QG2 62 THR QG2 3.12
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,
igr1= 763, 764, 765,
igr2= 922, 923, 924,
&end
#
# 55 THR QG2 60 SER HA 3.53
&rst
ixpk= 0, nxpk= 0, iat= -1, 896, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1= 837, 838, 839,
&end
#
# 55 THR HA 55 THR QG2 2.65
&rst
ixpk= 0, nxpk= 0, iat= 833, -1, r1= 1.30, r2= 1.80, r3= 3.18, r4= 3.68,
igr2= 837, 838, 839,
&end
#
# 55 THR QG2 60 SER HB3 3.19
&rst
ixpk= 0, nxpk= 0, iat= -1, 899, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33,
igr1= 837, 838, 839,
&end
#
# 53 ARG HB3 62 THR HA 4.98
&rst
ixpk= 0, nxpk= 0, iat= 796, 918, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48, &end
#
# 53 ARG HB2 62 THR HA 4.04
&rst
ixpk= 0, nxpk= 0, iat= 795, 918, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54, &end
#
# 51 THR QG2 62 THR HA 4.18
&rst
ixpk= 0, nxpk= 0, iat= -1, 918, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52,
igr1= 763, 764, 765,
&end
#
# 81 LYS HA 81 LYS QE 4.79
&rst
ixpk= 0, nxpk= 0, iat=1193, -1, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88,
igr2=1204,1205,
&end
#
# 81 LYS HA 84 LYS HB3 4.04
&rst
ixpk= 0, nxpk= 0, iat=1193,1254, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54, &end
#
# 81 LYS HA 81 LYS HG3 3.48
&rst
ixpk= 0, nxpk= 0, iat=1193,1199, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98, &end
#
# 81 LYS HA 81 LYS HG2 3.48
&rst
ixpk= 0, nxpk= 0, iat=1193,1198, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98, &end
#
# 24 GLN HA 33 THR HA 4.78
&rst
ixpk= 0, nxpk= 0, iat= 335, 481, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28, &end
#
# 24 GLN HA 25 GLU HA 4.93
&rst
ixpk= 0, nxpk= 0, iat= 335, 352, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43, &end
#
# 24 GLN HA 34 PRO HG3 3.80
&rst
ixpk= 0, nxpk= 0, iat= 335, 498, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end
#
# 24 GLN HA 34 PRO HG2 3.82
&rst
ixpk= 0, nxpk= 0, iat= 335, 497, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32, &end
#
# 51 THR QG2 64 GLN HA 3.73
&rst
ixpk= 0, nxpk= 0, iat= -1, 939, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98,
igr1= 763, 764, 765,
&end
#
# 51 THR HA 51 THR QG2 2.84
&rst
ixpk= 0, nxpk= 0, iat= 759, -1, r1= 1.30, r2= 1.80, r3= 3.41, r4= 3.91,
igr2= 763, 764, 765,
&end
#
# 51 THR QG2 52 PHE HA 4.39
&rst
ixpk= 0, nxpk= 0, iat= -1, 773, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77,
igr1= 763, 764, 765,
&end
#
# 51 THR QG2 62 THR HB 2.90
&rst
ixpk= 0, nxpk= 0, iat= -1, 920, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98,
igr1= 763, 764, 765,
&end
#
# 51 THR QG2 64 GLN HG2 3.36
&rst
ixpk= 0, nxpk= 0, iat= -1, 944, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1= 763, 764, 765,
&end
#
# 51 THR QG2 64 GLN HG3 3.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 945, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1= 763, 764, 765,
&end
#
# 39 LEU HG 51 THR QG2 4.13
&rst
ixpk= 0, nxpk= 0, iat= 582, -1, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,
igr2= 763, 764, 765,
&end
#
# 39 LEU QB 51 THR QG2 3.19
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,
igr1= 579, 580,
igr2= 763, 764, 765,
&end
#
# 26 TYR QD 56 VAL QG2 4.36
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
igr1= 373, 382,
igr2= 855, 856, 857,
&end
#
# 26 TYR QE 56 VAL QG2 4.89
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.59, r4= 7.09,
igr1= 375, 380,
igr2= 855, 856, 857,
&end
#
# 55 THR HA 56 VAL QG2 4.18
&rst
ixpk= 0, nxpk= 0, iat= 833, -1, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52,
igr2= 855, 856, 857,
&end
#
# 34 PRO HA 56 VAL QG2 2.93
&rst
ixpk= 0, nxpk= 0, iat= 503, -1, r1= 1.30, r2= 1.80, r3= 3.52, r4= 4.02,
igr2= 855, 856, 857,
&end
#
# 56 VAL HA 56 VAL QG2 2.76
&rst
ixpk= 0, nxpk= 0, iat= 847, -1, r1= 1.30, r2= 1.80, r3= 3.31, r4= 3.81,
igr2= 855, 856, 857,
&end
#
# 34 PRO HG3 56 VAL QG2 3.59
&rst
ixpk= 0, nxpk= 0, iat= 498, -1, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81,
igr2= 855, 856, 857,
&end
#
# 34 PRO HB3 56 VAL QG2 2.81
&rst
ixpk= 0, nxpk= 0, iat= 501, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2= 855, 856, 857,
&end
#
# 32 LYS HB3 56 VAL QG2 4.47
&rst
ixpk= 0, nxpk= 0, iat= 462, -1, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,
igr2= 855, 856, 857,
&end
#
# 56 VAL QG2 79 ALA QB 3.13
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01,
igr1= 855, 856, 857,
igr2=1166,1167,1168,
&end
#
# 23 LEU QD1 56 VAL QG2 3.12
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,
igr1= 323, 324, 325,
igr2= 855, 856, 857,
&end
#
# 56 VAL QG2 83 LEU QD1 2.90
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68,
igr1= 855, 856, 857,
igr2=1239,1240,1241,
&end
#
# 54 VAL QG2 56 VAL QG2 2.84
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,
igr1= 825, 826, 827,
igr2= 855, 856, 857,
&end
#
# 82 HIS HA 82 HIS HD2 4.38
&rst
ixpk= 0, nxpk= 0, iat=1215,1226, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88, &end
#
# 81 LYS HB3 82 HIS HA 4.73
&rst
ixpk= 0, nxpk= 0, iat=1196,1215, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23, &end
#
# 20 ILE QD1 69 LYS HA 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1010, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1= 278, 279, 280,
&end
#
# 35 VAL HA 35 VAL QG2 3.14
&rst
ixpk= 0, nxpk= 0, iat= 509, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr2= 517, 518, 519,
&end
#
# 54 VAL QG1 62 THR HA 4.51
&rst
ixpk= 0, nxpk= 0, iat= -1, 918, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,
igr1= 821, 822, 823,
&end
#
# 54 VAL QG1 60 SER HA 4.35
&rst
ixpk= 0, nxpk= 0, iat= -1, 896, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
igr1= 821, 822, 823,
&end
#
# 54 VAL HA 54 VAL QG1 3.37
&rst
ixpk= 0, nxpk= 0, iat= 817, -1, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55,
igr2= 821, 822, 823,
&end
#
# 54 VAL QG1 61 CYS HA 4.66
&rst
ixpk= 0, nxpk= 0, iat= -1, 907, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,
igr1= 821, 822, 823,
&end
#
# 54 VAL QG1 76 ALA HA 3.30
&rst
ixpk= 0, nxpk= 0, iat= -1,1123, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
igr1= 821, 822, 823,
&end
#
# 54 VAL QG1 75 ALA HA 3.91
&rst
ixpk= 0, nxpk= 0, iat= -1,1113, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,
igr1= 821, 822, 823,
&end
#
# 54 VAL QG1 76 ALA QB 4.16
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1= 821, 822, 823,
igr2=1125,1126,1127,
&end
#
# 54 VAL QG1 75 ALA QB 2.62
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1= 821, 822, 823,
igr2=1115,1116,1117,
&end
#
# 54 VAL QG1 79 ALA QB 2.64
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31,
igr1= 821, 822, 823,
igr2=1166,1167,1168,
&end
#
# 54 VAL QG1 62 THR QG2 4.98
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.18, r4= 7.68,
igr1= 821, 822, 823,
igr2= 922, 923, 924,
&end
#
# 54 VAL QG1 56 VAL QG2 3.75
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.41, r4= 5.91,
igr1= 821, 822, 823,
igr2= 855, 856, 857,
&end
#
# 29 ARG HA 30 ILE QG2 4.58
&rst
ixpk= 0, nxpk= 0, iat= 409, -1, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
igr2= 437, 438, 439,
&end
#
# 26 TYR QD 56 VAL QG1 3.71
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
igr1= 373, 382,
igr2= 851, 852, 853,
&end
#
# 26 TYR QE 56 VAL QG1 3.58
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
igr1= 375, 380,
igr2= 851, 852, 853,
&end
#
# 34 PRO HA 56 VAL QG1 4.01
&rst
ixpk= 0, nxpk= 0, iat= 503, -1, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32,
igr2= 851, 852, 853,
&end
#
# 34 PRO HB3 56 VAL QG1 3.99
&rst
ixpk= 0, nxpk= 0, iat= 501, -1, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,
igr2= 851, 852, 853,
&end
#
# 32 LYS HB2 56 VAL QG1 3.38
&rst
ixpk= 0, nxpk= 0, iat= 461, -1, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56,
igr2= 851, 852, 853,
&end
#
# 32 LYS HB3 56 VAL QG1 3.14
&rst
ixpk= 0, nxpk= 0, iat= 462, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr2= 851, 852, 853,
&end
#
# 30 ILE HG12 56 VAL QG1 4.72
&rst
ixpk= 0, nxpk= 0, iat= 441, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr2= 851, 852, 853,
&end
#
# 56 VAL HA 56 VAL QG1 2.68
&rst
ixpk= 0, nxpk= 0, iat= 847, -1, r1= 1.30, r2= 1.80, r3= 3.22, r4= 3.72,
igr2= 851, 852, 853,
&end
#
# 27 GLY HA3 56 VAL QG1 4.31
&rst
ixpk= 0, nxpk= 0, iat= 389, -1, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68,
igr2= 851, 852, 853,
&end
#
# 27 GLY HA2 56 VAL QG1 4.04
&rst
ixpk= 0, nxpk= 0, iat= 388, -1, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
igr2= 851, 852, 853,
&end
#
# 51 THR HA 71 ALA QB 3.61
&rst
ixpk= 0, nxpk= 0, iat= 759, -1, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84,
igr2=1044,1045,1046,
&end
#
# 68 LYS HA 71 ALA QB 3.61
&rst
ixpk= 0, nxpk= 0, iat= 988, -1, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84,
igr2=1044,1045,1046,
&end
#
# 50 PHE QB 71 ALA QB 3.13
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72,
igr1= 741, 742,
igr2=1044,1045,1046,
&end
#
# 71 ALA QB 74 LYS QB 4.45
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1=1044,1045,1046,
igr2=1093,1094,
&end
#
# 36 TYR HA 54 VAL HA 3.31
&rst
ixpk= 0, nxpk= 0, iat= 525, 817, r1= 1.30, r2= 1.80, r3= 3.31, r4= 3.81, &end
#
# 9 GLN QB 10 MET HA 4.11
&rst
ixpk= 0, nxpk= 0, iat= -1, 126, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,
igr1= 111, 112,
&end
#
# 23 LEU QD1 80 LEU HA 4.65
&rst
ixpk= 0, nxpk= 0, iat= -1,1174, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08,
igr1= 323, 324, 325,
&end
#
# 80 LEU HA 80 LEU QD2 3.74
&rst
ixpk= 0, nxpk= 0, iat=1174, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2=1185,1186,1187,
&end
#
# 50 PHE HA 71 ALA QB 4.67
&rst
ixpk= 0, nxpk= 0, iat= 739, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2=1044,1045,1046,
&end
#
# 8 GLU HA 9 GLN HA 4.95
&rst
ixpk= 0, nxpk= 0, iat= 94, 109, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45, &end
#
# 9 GLN HA 12 ALA QB 3.33
&rst
ixpk= 0, nxpk= 0, iat= 109, -1, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
igr2= 164, 165, 166,
&end
#
# 22 LEU HA 22 LEU QD1 3.92
&rst
ixpk= 0, nxpk= 0, iat= 297, -1, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
igr2= 304, 305, 306,
&end
#
# 22 LEU HA 22 LEU QD2 3.92
&rst
ixpk= 0, nxpk= 0, iat= 297, -1, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
igr2= 308, 309, 310,
&end
#
# 10 MET HA 13 ALA QB 3.08
&rst
ixpk= 0, nxpk= 0, iat= 126, -1, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
igr2= 174, 175, 176,
&end
#
# 23 LEU HA 26 TYR HB3 4.16
&rst
ixpk= 0, nxpk= 0, iat= 316, 370, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66, &end
#
# 23 LEU HA 26 TYR QD 4.57
&rst
ixpk= 0, nxpk= 0, iat= 316, -1, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63,
igr2= 373, 382,
&end
#
# 23 LEU HA 26 TYR HB2 4.22
&rst
ixpk= 0, nxpk= 0, iat= 316, 369, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72, &end
#
# 23 LEU HA 83 LEU QD1 4.85
&rst
ixpk= 0, nxpk= 0, iat= 316, -1, r1= 1.30, r2= 1.80, r3= 5.82, r4= 6.32,
igr2=1239,1240,1241,
&end
#
# 84 LYS HA 84 LYS QD 4.09
&rst
ixpk= 0, nxpk= 0, iat=1251, -1, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09,
igr2=1259,1260,
&end
#
# 84 LYS HA 84 LYS HG3 3.43
&rst
ixpk= 0, nxpk= 0, iat=1251,1257, r1= 1.30, r2= 1.80, r3= 3.43, r4= 3.93, &end
#
# 7 ILE QG2 84 LYS HA 3.62
&rst
ixpk= 0, nxpk= 0, iat= -1,1251, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85,
igr1= 79, 80, 81,
&end
#
# 36 TYR HA 36 TYR QE 4.66
&rst
ixpk= 0, nxpk= 0, iat= 525, -1, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73,
igr2= 533, 538,
&end
#
# 36 TYR HA 54 VAL HB 4.01
&rst
ixpk= 0, nxpk= 0, iat= 525, 819, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51, &end
#
# 38 LEU HA 52 PHE HA 3.64
&rst
ixpk= 0, nxpk= 0, iat= 558, 773, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14, &end
#
# 70 ALA QB 71 ALA QB 3.78
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95,
igr1=1034,1035,1036,
igr2=1044,1045,1046,
&end
#
# 55 THR HA 60 SER HA 2.95
&rst
ixpk= 0, nxpk= 0, iat= 833, 896, r1= 1.30, r2= 1.80, r3= 2.95, r4= 3.45, &end
#
# 59 THR HB 60 SER HA 4.84
&rst
ixpk= 0, nxpk= 0, iat= 884, 896, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34, &end
#
# 53 ARG QD 60 SER HA 4.96
&rst
ixpk= 0, nxpk= 0, iat= -1, 896, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07,
igr1= 801, 802,
&end
#
# 52 PHE HA 71 ALA QB 4.83
&rst
ixpk= 0, nxpk= 0, iat= 773, -1, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
igr2=1044,1045,1046,
&end
#
# 61 CYS HA 62 THR HA 4.77
&rst
ixpk= 0, nxpk= 0, iat= 907, 918, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27, &end
#
# 60 SER HA 61 CYS HA 4.98
&rst
ixpk= 0, nxpk= 0, iat= 896, 907, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48, &end
#
# 83 LEU HA 83 LEU HG 3.46
&rst
ixpk= 0, nxpk= 0, iat=1232,1237, r1= 1.30, r2= 1.80, r3= 3.46, r4= 3.96, &end
#
# 83 LEU HA 83 LEU QD2 2.77
&rst
ixpk= 0, nxpk= 0, iat=1232, -1, r1= 1.30, r2= 1.80, r3= 3.33, r4= 3.83,
igr2=1243,1244,1245,
&end
#
# 83 LEU HA 83 LEU QD1 4.02
&rst
ixpk= 0, nxpk= 0, iat=1232, -1, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
igr2=1239,1240,1241,
&end
#
# 10 MET HB2 11 LEU HA 4.94
&rst
ixpk= 0, nxpk= 0, iat= 128, 143, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44, &end
#
# 18 THR HB 20 ILE QG2 4.86
&rst
ixpk= 0, nxpk= 0, iat= 241, -1, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
igr2= 271, 272, 273,
&end
#
# 20 ILE HA 20 ILE QG2 3.28
&rst
ixpk= 0, nxpk= 0, iat= 267, -1, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44,
igr2= 271, 272, 273,
&end
#
# 20 ILE QG2 20 ILE QG1 3.55
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,
igr1= 271, 272, 273,
igr2= 275, 276,
&end
#
# 20 ILE QG2 72 LYS QD 3.36
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
igr1= 271, 272, 273,
igr2=1060,1061,
&end
#
# 20 ILE QG2 20 ILE QD1 2.98
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,
igr1= 271, 272, 273,
igr2= 278, 279, 280,
&end
#
# 17 LYS HA 17 LYS QG 3.34
&rst
ixpk= 0, nxpk= 0, iat= 217, -1, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25,
igr2= 222, 223,
&end
#
# 40 LYS HA 41 ALA HA 4.75
&rst
ixpk= 0, nxpk= 0, iat= 596, 618, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25, &end
#
# 40 LYS HA 51 THR HB 4.71
&rst
ixpk= 0, nxpk= 0, iat= 596, 761, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21, &end
#
# 39 LEU QB 40 LYS HA 4.45
&rst
ixpk= 0, nxpk= 0, iat= -1, 596, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49,
igr1= 579, 580,
&end
#
# 44 GLN HA 44 GLN QG 3.25
&rst
ixpk= 0, nxpk= 0, iat= 650, -1, r1= 1.30, r2= 1.80, r3= 3.65, r4= 4.15,
igr2= 655, 656,
&end
#
# 54 VAL QG1 79 ALA HA 4.01
&rst
ixpk= 0, nxpk= 0, iat= -1,1164, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32,
igr1= 821, 822, 823,
&end
#
# 61 CYS HB3 79 ALA HA 4.69
&rst
ixpk= 0, nxpk= 0, iat= 910,1164, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19, &end
#
# 56 VAL QG2 79 ALA HA 4.85
&rst
ixpk= 0, nxpk= 0, iat= -1,1164, r1= 1.30, r2= 1.80, r3= 5.82, r4= 6.32,
igr1= 855, 856, 857,
&end
#
# 30 ILE HA 30 ILE QG2 2.67
&rst
ixpk= 0, nxpk= 0, iat= 433, -1, r1= 1.30, r2= 1.80, r3= 3.21, r4= 3.71,
igr2= 437, 438, 439,
&end
#
# 29 ARG HB2 30 ILE QG2 3.78
&rst
ixpk= 0, nxpk= 0, iat= 411, -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
igr2= 437, 438, 439,
&end
#
# 30 ILE QG2 32 LYS HB2 4.74
&rst
ixpk= 0, nxpk= 0, iat= -1, 461, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
igr1= 437, 438, 439,
&end
#
# 30 ILE QG2 30 ILE HG12 2.94
&rst
ixpk= 0, nxpk= 0, iat= -1, 441, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1= 437, 438, 439,
&end
#
# 30 ILE QG2 30 ILE HG13 3.36
&rst
ixpk= 0, nxpk= 0, iat= -1, 442, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1= 437, 438, 439,
&end
#
# 30 ILE QG2 30 ILE QD1 2.43
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,
igr1= 437, 438, 439,
igr2= 444, 445, 446,
&end
#
# 62 THR HA 75 ALA HA 4.92
&rst
ixpk= 0, nxpk= 0, iat= 918,1113, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42, &end
#
# 63 GLY HA3 75 ALA HA 3.53
&rst
ixpk= 0, nxpk= 0, iat= 933,1113, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03, &end
#
# 61 CYS HB3 75 ALA HA 4.97
&rst
ixpk= 0, nxpk= 0, iat= 910,1113, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47, &end
#
# 10 MET QE 26 TYR QD 3.43
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
igr1= 135, 136, 137,
igr2= 373, 382,
&end
#
# 10 MET QE 26 TYR QE 4.74
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.39, r4= 6.89,
igr1= 135, 136, 137,
igr2= 375, 380,
&end
#
# 10 MET QE 26 TYR HA 3.59
&rst
ixpk= 0, nxpk= 0, iat= -1, 367, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81,
igr1= 135, 136, 137,
&end
#
# 7 ILE HA 10 MET QE 3.93
&rst
ixpk= 0, nxpk= 0, iat= 75, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2= 135, 136, 137,
&end
#
# 10 MET QE 26 TYR HB2 3.35
&rst
ixpk= 0, nxpk= 0, iat= -1, 369, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52,
igr1= 135, 136, 137,
&end
#
# 10 MET HB2 10 MET QE 3.13
&rst
ixpk= 0, nxpk= 0, iat= 128, -1, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26,
igr2= 135, 136, 137,
&end
#
# 10 MET HB3 10 MET QE 3.21
&rst
ixpk= 0, nxpk= 0, iat= 129, -1, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36,
igr2= 135, 136, 137,
&end
#
# 10 MET HG2 10 MET QE 2.55
&rst
ixpk= 0, nxpk= 0, iat= 131, -1, r1= 1.30, r2= 1.80, r3= 3.06, r4= 3.56,
igr2= 135, 136, 137,
&end
#
# 10 MET QE 22 LEU HG 3.24
&rst
ixpk= 0, nxpk= 0, iat= -1, 302, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39,
igr1= 135, 136, 137,
&end
#
# 52 PHE QD 75 ALA QB 4.61
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.21, r4= 6.71,
igr1= 779, 787,
igr2=1115,1116,1117,
&end
#
# 36 TYR QD 75 ALA QB 3.62
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,
igr1= 531, 540,
igr2=1115,1116,1117,
&end
#
# 62 THR HA 75 ALA QB 3.58
&rst
ixpk= 0, nxpk= 0, iat= 918, -1, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,
igr2=1115,1116,1117,
&end
#
# 53 ARG HA 75 ALA QB 4.06
&rst
ixpk= 0, nxpk= 0, iat= 793, -1, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,
igr2=1115,1116,1117,
&end
#
# 54 VAL HA 75 ALA QB 4.68
&rst
ixpk= 0, nxpk= 0, iat= 817, -1, r1= 1.30, r2= 1.80, r3= 5.62, r4= 6.12,
igr2=1115,1116,1117,
&end
#
# 75 ALA QB 76 ALA HA 4.51
&rst
ixpk= 0, nxpk= 0, iat= -1,1123, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,
igr1=1115,1116,1117,
&end
#
# 63 GLY HA3 75 ALA QB 3.42
&rst
ixpk= 0, nxpk= 0, iat= 933, -1, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,
igr2=1115,1116,1117,
&end
#
# 72 LYS HA 75 ALA QB 3.36
&rst
ixpk= 0, nxpk= 0, iat=1052, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr2=1115,1116,1117,
&end
#
# 52 PHE HB3 75 ALA QB 3.71
&rst
ixpk= 0, nxpk= 0, iat= 776, -1, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96,
igr2=1115,1116,1117,
&end
#
# 52 PHE HB2 75 ALA QB 3.71
&rst
ixpk= 0, nxpk= 0, iat= 775, -1, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96,
igr2=1115,1116,1117,
&end
#
# 61 CYS HB3 75 ALA QB 4.95
&rst
ixpk= 0, nxpk= 0, iat= 910, -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr2=1115,1116,1117,
&end
#
# 75 ALA QB 76 ALA QB 3.81
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99,
igr1=1115,1116,1117,
igr2=1125,1126,1127,
&end
#
# 62 THR QG2 75 ALA QB 4.57
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.59, r4= 7.09,
igr1= 922, 923, 924,
igr2=1115,1116,1117,
&end
#
# 72 LYS HG3 75 ALA QB 4.68
&rst
ixpk= 0, nxpk= 0, iat=1058, -1, r1= 1.30, r2= 1.80, r3= 5.62, r4= 6.12,
igr2=1115,1116,1117,
&end
#
# 54 VAL QG2 75 ALA QB 4.24
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.12, r4= 6.62,
igr1= 825, 826, 827,
igr2=1115,1116,1117,
&end
#
# 64 GLN HA 71 ALA HA 4.44
&rst
ixpk= 0, nxpk= 0, iat= 939,1042, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94, &end
#
# 70 ALA QB 71 ALA HA 4.58
&rst
ixpk= 0, nxpk= 0, iat= -1,1042, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
igr1=1034,1035,1036,
&end
#
# 41 ALA QB 42 GLU HA 4.62
&rst
ixpk= 0, nxpk= 0, iat= -1, 628, r1= 1.30, r2= 1.80, r3= 5.55, r4= 6.05,
igr1= 620, 621, 622,
&end
#
# 53 ARG HA 62 THR HA 3.26
&rst
ixpk= 0, nxpk= 0, iat= 793, 918, r1= 1.30, r2= 1.80, r3= 3.26, r4= 3.76, &end
#
# 51 THR QG2 53 ARG HA 4.89
&rst
ixpk= 0, nxpk= 0, iat= -1, 793, r1= 1.30, r2= 1.80, r3= 5.87, r4= 6.37,
igr1= 763, 764, 765,
&end
#
# 39 LEU QD2 53 ARG HA 4.35
&rst
ixpk= 0, nxpk= 0, iat= -1, 793, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
igr1= 588, 589, 590,
&end
#
# 53 ARG HA 54 VAL QG1 4.94
&rst
ixpk= 0, nxpk= 0, iat= 793, -1, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43,
igr2= 821, 822, 823,
&end
#
# 47 GLN HA 48 PRO HD2 3.24
&rst
ixpk= 0, nxpk= 0, iat= 694, 710, r1= 1.30, r2= 1.80, r3= 3.24, r4= 3.74, &end
#
# 47 GLN HA 48 PRO HD3 3.44
&rst
ixpk= 0, nxpk= 0, iat= 694, 711, r1= 1.30, r2= 1.80, r3= 3.44, r4= 3.94, &end
#
# 47 GLN HA 47 GLN HG3 4.16
&rst
ixpk= 0, nxpk= 0, iat= 694, 700, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66, &end
#
# 47 GLN HA 47 GLN HG2 4.16
&rst
ixpk= 0, nxpk= 0, iat= 694, 699, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66, &end
#
# 32 LYS HA 32 LYS HD3 3.57
&rst
ixpk= 0, nxpk= 0, iat= 459, 468, r1= 1.30, r2= 1.80, r3= 3.57, r4= 4.07, &end
#
# 64 GLN HA 71 ALA QB 3.58
&rst
ixpk= 0, nxpk= 0, iat= 939, -1, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,
igr2=1044,1045,1046,
&end
#
# 37 ASP HA 52 PHE QD 4.89
&rst
ixpk= 0, nxpk= 0, iat= 546, -1, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99,
igr2= 779, 787,
&end
#
# 49 ASN HA 49 ASN QB 2.99
&rst
ixpk= 0, nxpk= 0, iat= 725, -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr2= 727, 728,
&end
#
# 4 LEU HA 4 LEU QD1 3.43
&rst
ixpk= 0, nxpk= 0, iat= 31, -1, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62,
igr2= 38, 39, 40,
&end
#
# 26 TYR QD 30 ILE QD1 3.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 373, 382,
igr2= 444, 445, 446,
&end
#
# 30 ILE QD1 32 LYS HA 4.62
&rst
ixpk= 0, nxpk= 0, iat= -1, 459, r1= 1.30, r2= 1.80, r3= 5.55, r4= 6.05,
igr1= 444, 445, 446,
&end
#
# 30 ILE HA 30 ILE QD1 4.30
&rst
ixpk= 0, nxpk= 0, iat= 433, -1, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
igr2= 444, 445, 446,
&end
#
# 27 GLY HA2 30 ILE QD1 3.59
&rst
ixpk= 0, nxpk= 0, iat= 388, -1, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81,
igr2= 444, 445, 446,
&end
#
# 30 ILE HB 30 ILE QD1 2.85
&rst
ixpk= 0, nxpk= 0, iat= 435, -1, r1= 1.30, r2= 1.80, r3= 3.42, r4= 3.92,
igr2= 444, 445, 446,
&end
#
# 30 ILE QD1 32 LYS HB2 3.45
&rst
ixpk= 0, nxpk= 0, iat= -1, 461, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64,
igr1= 444, 445, 446,
&end
#
# 30 ILE QD1 32 LYS HB3 3.34
&rst
ixpk= 0, nxpk= 0, iat= -1, 462, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51,
igr1= 444, 445, 446,
&end
#
# 30 ILE QD1 32 LYS QG 2.91
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42,
igr1= 444, 445, 446,
igr2= 464, 465,
&end
#
# 30 ILE QD1 56 VAL QG1 2.78
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51,
igr1= 444, 445, 446,
igr2= 851, 852, 853,
&end
#
# 12 ALA HA 13 ALA HA 4.76
&rst
ixpk= 0, nxpk= 0, iat= 162, 172, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26, &end
#
# 13 ALA HA 15 PRO HD2 4.78
&rst
ixpk= 0, nxpk= 0, iat= 172, 195, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28, &end
#
# 13 ALA HA 15 PRO HD3 4.78
&rst
ixpk= 0, nxpk= 0, iat= 172, 196, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28, &end
#
# 13 ALA HA 14 ASN HA 4.85
&rst
ixpk= 0, nxpk= 0, iat= 172, 182, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35, &end
#
# 14 ASN HA 15 PRO HD2 3.16
&rst
ixpk= 0, nxpk= 0, iat= 182, 195, r1= 1.30, r2= 1.80, r3= 3.16, r4= 3.66, &end
#
# 14 ASN HA 15 PRO HD3 3.16
&rst
ixpk= 0, nxpk= 0, iat= 182, 196, r1= 1.30, r2= 1.80, r3= 3.16, r4= 3.66, &end
#
# 14 ASN HA 14 ASN QB 2.94
&rst
ixpk= 0, nxpk= 0, iat= 182, -1, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,
igr2= 184, 185,
&end
#
# 13 ALA QB 14 ASN HA 4.32
&rst
ixpk= 0, nxpk= 0, iat= -1, 182, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,
igr1= 174, 175, 176,
&end
#
# 34 PRO HD3 56 VAL QG2 4.71
&rst
ixpk= 0, nxpk= 0, iat= 495, -1, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
igr2= 855, 856, 857,
&end
#
# 33 THR HA 34 PRO HD2 3.39
&rst
ixpk= 0, nxpk= 0, iat= 481, 494, r1= 1.30, r2= 1.80, r3= 3.39, r4= 3.89, &end
#
# 34 PRO HD2 56 VAL QG2 4.71
&rst
ixpk= 0, nxpk= 0, iat= 494, -1, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
igr2= 855, 856, 857,
&end
#
# 7 ILE QD1 26 TYR QD 4.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1= 86, 87, 88,
igr2= 373, 382,
&end
#
# 18 THR HB 20 ILE QD1 4.27
&rst
ixpk= 0, nxpk= 0, iat= 241, -1, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63,
igr2= 278, 279, 280,
&end
#
# 20 ILE HA 20 ILE QD1 3.92
&rst
ixpk= 0, nxpk= 0, iat= 267, -1, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
igr2= 278, 279, 280,
&end
#
# 20 ILE QD1 72 LYS HA 4.83
&rst
ixpk= 0, nxpk= 0, iat= -1,1052, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
igr1= 278, 279, 280,
&end
#
# 20 ILE HB 20 ILE QD1 3.83
&rst
ixpk= 0, nxpk= 0, iat= 269, -1, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
igr2= 278, 279, 280,
&end
#
# 20 ILE QD1 72 LYS QD 3.22
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84,
igr1= 278, 279, 280,
igr2=1060,1061,
&end
#
# 20 ILE QD1 72 LYS HG2 4.28
&rst
ixpk= 0, nxpk= 0, iat= -1,1057, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
igr1= 278, 279, 280,
&end
#
# 65 GLY HA2 66 PRO HD3 4.00
&rst
ixpk= 0, nxpk= 0, iat= 956, 963, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 65 GLY HA3 66 PRO HD3 4.00
&rst
ixpk= 0, nxpk= 0, iat= 957, 963, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 14 ASN QB 15 PRO HD2 4.59
&rst
ixpk= 0, nxpk= 0, iat= -1, 195, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,
igr1= 184, 185,
&end
#
# 66 PRO HD2 70 ALA QB 3.71
&rst
ixpk= 0, nxpk= 0, iat= 962, -1, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96,
igr2=1034,1035,1036,
&end
#
# 65 GLY HA2 66 PRO HD2 4.00
&rst
ixpk= 0, nxpk= 0, iat= 956, 962, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 14 ASN QB 15 PRO HD3 4.59
&rst
ixpk= 0, nxpk= 0, iat= -1, 196, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,
igr1= 184, 185,
&end
#
# 66 PRO HD3 70 ALA QB 3.71
&rst
ixpk= 0, nxpk= 0, iat= 963, -1, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96,
igr2=1034,1035,1036,
&end
#
# 36 TYR QD 52 PHE QD 3.43
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82,
igr1= 531, 540,
igr2= 779, 787,
&end
#
# 36 TYR HA 36 TYR QD 3.47
&rst
ixpk= 0, nxpk= 0, iat= 525, -1, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39,
igr2= 531, 540,
&end
#
# 36 TYR QD 54 VAL HA 4.07
&rst
ixpk= 0, nxpk= 0, iat= -1, 817, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07,
igr1= 531, 540,
&end
#
# 35 VAL HA 36 TYR QD 4.06
&rst
ixpk= 0, nxpk= 0, iat= 509, -1, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06,
igr2= 531, 540,
&end
#
# 36 TYR QD 72 LYS HA 3.94
&rst
ixpk= 0, nxpk= 0, iat= -1,1052, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92,
igr1= 531, 540,
&end
#
# 36 TYR QD 54 VAL QG1 4.36
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
igr1= 531, 540,
igr2= 821, 822, 823,
&end
#
# 36 TYR QD 72 LYS HG2 3.81
&rst
ixpk= 0, nxpk= 0, iat= -1,1057, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78,
igr1= 531, 540,
&end
#
# 26 TYR HA 26 TYR QD 2.94
&rst
ixpk= 0, nxpk= 0, iat= 367, -1, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,
igr2= 373, 382,
&end
#
# 26 TYR QD 30 ILE QG2 3.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 373, 382,
igr2= 437, 438, 439,
&end
#
# 26 TYR QD 83 LEU QD1 3.64
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,
igr1= 373, 382,
igr2=1239,1240,1241,
&end
#
# 41 ALA QB 50 PHE QE 3.30
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95,
igr1= 620, 621, 622,
igr2= 747, 751,
&end
#
# 50 PHE HA 50 PHE QE 4.44
&rst
ixpk= 0, nxpk= 0, iat= 739, -1, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48,
igr2= 747, 751,
&end
#
# 50 PHE QE 67 SER HA 4.17
&rst
ixpk= 0, nxpk= 0, iat= -1, 977, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,
igr1= 747, 751,
&end
#
# 38 LEU QD1 50 PHE QE 4.28
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.77, r4= 6.27,
igr1= 565, 566, 567,
igr2= 747, 751,
&end
#
# 52 PHE QE 68 LYS HA 3.73
&rst
ixpk= 0, nxpk= 0, iat= -1, 988, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69,
igr1= 781, 785,
&end
#
# 41 ALA QB 50 PHE QD 3.22
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84,
igr1= 620, 621, 622,
igr2= 745, 753,
&end
#
# 41 ALA HA 50 PHE QD 4.00
&rst
ixpk= 0, nxpk= 0, iat= 618, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2= 745, 753,
&end
#
# 38 LEU HG 50 PHE QD 4.89
&rst
ixpk= 0, nxpk= 0, iat= 563, -1, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99,
igr2= 745, 753,
&end
#
# 50 PHE HA 50 PHE QD 3.50
&rst
ixpk= 0, nxpk= 0, iat= 739, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 745, 753,
&end
#
# 50 PHE QD 67 SER HA 4.09
&rst
ixpk= 0, nxpk= 0, iat= -1, 977, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09,
igr1= 745, 753,
&end
#
# 50 PHE QD 71 ALA QB 3.98
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,
igr1= 745, 753,
igr2=1044,1045,1046,
&end
#
# 36 TYR HA 52 PHE QD 4.04
&rst
ixpk= 0, nxpk= 0, iat= 525, -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
igr2= 779, 787,
&end
#
# 52 PHE HA 52 PHE QD 3.57
&rst
ixpk= 0, nxpk= 0, iat= 773, -1, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51,
igr2= 779, 787,
&end
#
# 38 LEU HA 52 PHE QD 4.19
&rst
ixpk= 0, nxpk= 0, iat= 558, -1, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,
igr2= 779, 787,
&end
#
# 36 TYR HB3 52 PHE QD 3.02
&rst
ixpk= 0, nxpk= 0, iat= 528, -1, r1= 1.30, r2= 1.80, r3= 3.39, r4= 3.89,
igr2= 779, 787,
&end
#
# 52 PHE QD 71 ALA QB 2.88
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38,
igr1= 779, 787,
igr2=1044,1045,1046,
&end
#
# 48 PRO HG2 50 PHE HZ 4.64
&rst
ixpk= 0, nxpk= 0, iat= 713, 749, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14, &end
#
# 41 ALA QB 50 PHE HZ 4.37
&rst
ixpk= 0, nxpk= 0, iat= -1, 749, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75,
igr1= 620, 621, 622,
&end
#
# 38 LEU HB2 52 PHE HZ 4.29
&rst
ixpk= 0, nxpk= 0, iat= 560, 783, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79, &end
#
# 38 LEU QD2 52 PHE HZ 4.29
&rst
ixpk= 0, nxpk= 0, iat= -1, 783, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,
igr1= 569, 570, 571,
&end
#
# 38 LEU QD1 52 PHE HZ 4.29
&rst
ixpk= 0, nxpk= 0, iat= -1, 783, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,
igr1= 565, 566, 567,
&end
#
# 78 VAL HA 82 HIS HD2 4.41
&rst
ixpk= 0, nxpk= 0, iat=1148,1226, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91, &end
#
# 82 HIS HB2 82 HIS HD2 3.22
&rst
ixpk= 0, nxpk= 0, iat=1217,1226, r1= 1.30, r2= 1.80, r3= 3.22, r4= 3.72, &end
#
# 81 LYS HB2 82 HIS HD2 3.67
&rst
ixpk= 0, nxpk= 0, iat=1195,1226, r1= 1.30, r2= 1.80, r3= 3.67, r4= 4.17, &end
#
# 26 TYR QE 83 LEU QD2 2.89
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40,
igr1= 375, 380,
igr2=1243,1244,1245,
&end
#
# 26 TYR QE 30 ILE QG2 3.06
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62,
igr1= 375, 380,
igr2= 437, 438, 439,
&end
#
# 26 TYR QE 83 LEU QD1 3.16
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76,
igr1= 375, 380,
igr2=1239,1240,1241,
&end
#
# 36 TYR QE 76 ALA HA 4.76
&rst
ixpk= 0, nxpk= 0, iat= -1,1123, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
igr1= 533, 538,
&end
#
# 36 TYR QE 54 VAL QG1 3.68
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,
igr1= 533, 538,
igr2= 821, 822, 823,
&end
#
# 20 ILE HA 36 TYR QE 4.65
&rst
ixpk= 0, nxpk= 0, iat= 267, -1, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
igr2= 533, 538,
&end
#
# 36 TYR QE 76 ALA QB 3.05
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,
igr1= 533, 538,
igr2=1125,1126,1127,
&end
#
# 36 TYR QE 75 ALA QB 3.08
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65,
igr1= 533, 538,
igr2=1115,1116,1117,
&end
#
# 36 TYR QE 54 VAL QG2 3.23
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85,
igr1= 533, 538,
igr2= 825, 826, 827,
&end
#
# 34 PRO HG3 36 TYR QE 4.22
&rst
ixpk= 0, nxpk= 0, iat= 498, -1, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,
igr2= 533, 538,
&end
#
# 36 TYR QE 72 LYS HG2 3.96
&rst
ixpk= 0, nxpk= 0, iat= -1,1057, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
igr1= 533, 538,
&end
#
# 36 TYR QE 54 VAL HA 4.78
&rst
ixpk= 0, nxpk= 0, iat= -1, 817, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,
igr1= 533, 538,
&end
#
# 4 LEU HA 4 LEU QQD 2.75
&rst
ixpk= 0, nxpk= 0, iat= 31, -1, r1= 1.30, r2= 1.80, r3= 3.71, r4= 4.21,
igr2= 38, 39, 40, 42, 43, 44,
&end
#
# 6 SER HA 6 SER QB 2.62
&rst
ixpk= 0, nxpk= 0, iat= 64, -1, r1= 1.30, r2= 1.80, r3= 2.94, r4= 3.44,
igr2= 66, 67,
&end
#
# 6 SER QB 7 ILE QG2 4.73
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.38, r4= 6.88,
igr1= 66, 67,
igr2= 79, 80, 81,
&end
#
# 6 SER QB 8 GLU QB 4.24
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
igr1= 66, 67,
igr2= 96, 97,
&end
#
# 6 SER QB 9 GLN QB 3.58
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01,
igr1= 66, 67,
igr2= 111, 112,
&end
#
# 6 SER QB 9 GLN QG 4.36
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99,
igr1= 66, 67,
igr2= 114, 115,
&end
#
# 7 ILE QG2 8 GLU QG 3.56
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr1= 79, 80, 81,
igr2= 99, 100,
&end
#
# 7 ILE QG2 84 LYS QG 3.52
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,
igr1= 79, 80, 81,
igr2=1256,1257,
&end
#
# 8 GLU HA 8 GLU QG 3.17
&rst
ixpk= 0, nxpk= 0, iat= 94, -1, r1= 1.30, r2= 1.80, r3= 3.56, r4= 4.06,
igr2= 99, 100,
&end
#
# 8 GLU HA 11 LEU QQD 2.96
&rst
ixpk= 0, nxpk= 0, iat= 94, -1, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49,
igr2= 150, 151, 152, 154, 155, 156,
&end
#
# 8 GLU QB 11 LEU QQD 4.69
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.10, r4= 7.60,
igr1= 96, 97,
igr2= 150, 151, 152, 154, 155, 156,
&end
#
# 8 GLU QG 84 LYS HA 4.25
&rst
ixpk= 0, nxpk= 0, iat= -1,1251, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,
igr1= 99, 100,
&end
#
# 8 GLU QG 84 LYS QE 4.67
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
igr1= 99, 100,
igr2=1262,1263,
&end
#
# 10 MET HA 22 LEU QQD 4.46
&rst
ixpk= 0, nxpk= 0, iat= 126, -1, r1= 1.30, r2= 1.80, r3= 6.01, r4= 6.51,
igr2= 304, 305, 306, 308, 309, 310,
&end
#
# 10 MET HB2 11 LEU QQD 4.50
&rst
ixpk= 0, nxpk= 0, iat= 128, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2= 150, 151, 152, 154, 155, 156,
&end
#
# 10 MET HB2 22 LEU QQD 4.08
&rst
ixpk= 0, nxpk= 0, iat= 128, -1, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
igr2= 304, 305, 306, 308, 309, 310,
&end
#
# 10 MET HB3 22 LEU QQD 4.24
&rst
ixpk= 0, nxpk= 0, iat= 129, -1, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,
igr2= 304, 305, 306, 308, 309, 310,
&end
#
# 10 MET HG2 11 LEU QQD 4.37
&rst
ixpk= 0, nxpk= 0, iat= 131, -1, r1= 1.30, r2= 1.80, r3= 5.89, r4= 6.39,
igr2= 150, 151, 152, 154, 155, 156,
&end
#
# 10 MET HG3 11 LEU QQD 3.87
&rst
ixpk= 0, nxpk= 0, iat= 132, -1, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
igr2= 150, 151, 152, 154, 155, 156,
&end
#
# 10 MET QE 22 LEU QB 3.71
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
igr1= 135, 136, 137,
igr2= 299, 300,
&end
#
# 10 MET QE 22 LEU QQD 2.69
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85,
igr1= 135, 136, 137,
igr2= 304, 305, 306, 308, 309, 310,
&end
#
# 10 MET QE 80 LEU QQD 3.56
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26,
igr1= 135, 136, 137,
igr2=1181,1182,1183,1185,1186,1187,
&end
#
# 11 LEU HA 11 LEU QQD 2.75
&rst
ixpk= 0, nxpk= 0, iat= 143, -1, r1= 1.30, r2= 1.80, r3= 3.71, r4= 4.21,
igr2= 150, 151, 152, 154, 155, 156,
&end
#
# 11 LEU HB2 11 LEU QQD 2.54
&rst
ixpk= 0, nxpk= 0, iat= 145, -1, r1= 1.30, r2= 1.80, r3= 3.42, r4= 3.92,
igr2= 150, 151, 152, 154, 155, 156,
&end
#
# 11 LEU HB3 11 LEU QQD 2.84
&rst
ixpk= 0, nxpk= 0, iat= 146, -1, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33,
igr2= 150, 151, 152, 154, 155, 156,
&end
#
# 11 LEU QQD 80 LEU HB2 4.49
&rst
ixpk= 0, nxpk= 0, iat= -1,1176, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
igr1= 150, 151, 152, 154, 155, 156,
&end
#
# 11 LEU QQD 80 LEU HB3 3.64
&rst
ixpk= 0, nxpk= 0, iat= -1,1177, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,
igr1= 150, 151, 152, 154, 155, 156,
&end
#
# 11 LEU QQD 84 LYS QG 4.31
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.52, r4= 7.02,
igr1= 150, 151, 152, 154, 155, 156,
igr2=1256,1257,
&end
#
# 11 LEU QQD 84 LYS QD 3.37
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
igr1= 150, 151, 152, 154, 155, 156,
igr2=1259,1260,
&end
#
# 11 LEU QQD 84 LYS QE 3.14
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25,
igr1= 150, 151, 152, 154, 155, 156,
igr2=1262,1263,
&end
#
# 12 ALA HA 15 PRO QB 4.79
&rst
ixpk= 0, nxpk= 0, iat= 162, -1, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88,
igr2= 201, 202,
&end
#
# 13 ALA HA 15 PRO QD 4.12
&rst
ixpk= 0, nxpk= 0, iat= 172, -1, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
igr2= 195, 196,
&end
#
# 13 ALA QB 15 PRO QD 4.66
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.28, r4= 6.78,
igr1= 174, 175, 176,
igr2= 195, 196,
&end
#
# 14 ASN QB 15 PRO QD 3.94
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,
igr1= 184, 185,
igr2= 195, 196,
&end
#
# 14 ASN QB 17 LYS QD 3.66
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,
igr1= 184, 185,
igr2= 225, 226,
&end
#
# 15 PRO HA 22 LEU QQD 4.03
&rst
ixpk= 0, nxpk= 0, iat= 204, -1, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,
igr2= 304, 305, 306, 308, 309, 310,
&end
#
# 17 LYS HA 17 LYS QD 4.85
&rst
ixpk= 0, nxpk= 0, iat= 217, -1, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94,
igr2= 225, 226,
&end
#
# 17 LYS HA 17 LYS QE 4.52
&rst
ixpk= 0, nxpk= 0, iat= 217, -1, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,
igr2= 228, 229,
&end
#
# 17 LYS QB 17 LYS QD 3.29
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65,
igr1= 219, 220,
igr2= 225, 226,
&end
#
# 17 LYS QB 17 LYS QE 3.65
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
igr1= 219, 220,
igr2= 228, 229,
&end
#
# 17 LYS QG 17 LYS QE 2.94
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
igr1= 222, 223,
igr2= 228, 229,
&end
#
# 17 LYS QG 21 SER QB 4.60
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
igr1= 222, 223,
igr2= 288, 289,
&end
#
# 17 LYS QG 22 LEU QQD 3.81
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26,
igr1= 222, 223,
igr2= 304, 305, 306, 308, 309, 310,
&end
#
# 17 LYS QD 22 LEU QQD 2.97
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1= 225, 226,
igr2= 304, 305, 306, 308, 309, 310,
&end
#
# 17 LYS QE 22 LEU QQD 3.69
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08,
igr1= 228, 229,
igr2= 304, 305, 306, 308, 309, 310,
&end
#
# 19 PRO HA 22 LEU QB 3.72
&rst
ixpk= 0, nxpk= 0, iat= 261, -1, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68,
igr2= 299, 300,
&end
#
# 19 PRO HA 22 LEU QQD 3.59
&rst
ixpk= 0, nxpk= 0, iat= 261, -1, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,
igr2= 304, 305, 306, 308, 309, 310,
&end
#
# 19 PRO HA 80 LEU QQD 3.63
&rst
ixpk= 0, nxpk= 0, iat= 261, -1, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39,
igr2=1181,1182,1183,1185,1186,1187,
&end
#
# 20 ILE HA 23 LEU QQD 4.35
&rst
ixpk= 0, nxpk= 0, iat= 267, -1, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36,
igr2= 323, 324, 325, 327, 328, 329,
&end
#
# 20 ILE QG2 72 LYS QE 4.22
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
igr1= 271, 272, 273,
igr2=1063,1064,
&end
#
# 20 ILE QD1 72 LYS QE 3.97
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85,
igr1= 278, 279, 280,
igr2=1063,1064,
&end
#
# 22 LEU HA 22 LEU QQD 3.11
&rst
ixpk= 0, nxpk= 0, iat= 297, -1, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69,
igr2= 304, 305, 306, 308, 309, 310,
&end
#
# 22 LEU QB 22 LEU QQD 2.53
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33,
igr1= 299, 300,
igr2= 304, 305, 306, 308, 309, 310,
&end
#
# 22 LEU QB 80 LEU QQD 4.05
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.13, r4= 6.63,
igr1= 299, 300,
igr2=1181,1182,1183,1185,1186,1187,
&end
#
# 22 LEU QQD 26 TYR HB2 4.55
&rst
ixpk= 0, nxpk= 0, iat= -1, 369, r1= 1.30, r2= 1.80, r3= 6.13, r4= 6.63,
igr1= 304, 305, 306, 308, 309, 310,
&end
#
# 23 LEU HA 23 LEU QQD 2.86
&rst
ixpk= 0, nxpk= 0, iat= 316, -1, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36,
igr2= 323, 324, 325, 327, 328, 329,
&end
#
# 23 LEU HA 80 LEU QQD 3.20
&rst
ixpk= 0, nxpk= 0, iat= 316, -1, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81,
igr2=1181,1182,1183,1185,1186,1187,
&end
#
# 23 LEU QB 23 LEU QQD 2.66
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52,
igr1= 318, 319,
igr2= 323, 324, 325, 327, 328, 329,
&end
#
# 23 LEU QB 76 ALA HA 4.55
&rst
ixpk= 0, nxpk= 0, iat= -1,1123, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61,
igr1= 318, 319,
&end
#
# 23 LEU QB 80 LEU QQD 3.38
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61,
igr1= 318, 319,
igr2=1181,1182,1183,1185,1186,1187,
&end
#
# 23 LEU HG 80 LEU QQD 4.33
&rst
ixpk= 0, nxpk= 0, iat= 321, -1, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
igr2=1181,1182,1183,1185,1186,1187,
&end
#
# 23 LEU QQD 26 TYR HB2 4.33
&rst
ixpk= 0, nxpk= 0, iat= -1, 369, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
igr1= 323, 324, 325, 327, 328, 329,
&end
#
# 23 LEU QQD 26 TYR HB3 3.53
&rst
ixpk= 0, nxpk= 0, iat= -1, 370, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr1= 323, 324, 325, 327, 328, 329,
&end
#
# 23 LEU QQD 26 TYR QD 2.76
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68,
igr1= 323, 324, 325, 327, 328, 329,
igr2= 373, 382,
&end
#
# 23 LEU QQD 27 GLY HA2 4.72
&rst
ixpk= 0, nxpk= 0, iat= -1, 388, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 323, 324, 325, 327, 328, 329,
&end
#
# 23 LEU QQD 27 GLY HA3 4.84
&rst
ixpk= 0, nxpk= 0, iat= -1, 389, r1= 1.30, r2= 1.80, r3= 6.52, r4= 7.02,
igr1= 323, 324, 325, 327, 328, 329,
&end
#
# 23 LEU QQD 34 PRO HB2 3.82
&rst
ixpk= 0, nxpk= 0, iat= -1, 500, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,
igr1= 323, 324, 325, 327, 328, 329,
&end
#
# 23 LEU QQD 34 PRO HB3 3.59
&rst
ixpk= 0, nxpk= 0, iat= -1, 501, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,
igr1= 323, 324, 325, 327, 328, 329,
&end
#
# 23 LEU QQD 34 PRO HG2 4.38
&rst
ixpk= 0, nxpk= 0, iat= -1, 497, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,
igr1= 323, 324, 325, 327, 328, 329,
&end
#
# 23 LEU QQD 34 PRO HG3 3.34
&rst
ixpk= 0, nxpk= 0, iat= -1, 498, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,
igr1= 323, 324, 325, 327, 328, 329,
&end
#
# 23 LEU QQD 34 PRO HD2 4.99
&rst
ixpk= 0, nxpk= 0, iat= -1, 494, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 323, 324, 325, 327, 328, 329,
&end
#
# 23 LEU QQD 34 PRO HD3 4.59
&rst
ixpk= 0, nxpk= 0, iat= -1, 495, r1= 1.30, r2= 1.80, r3= 6.19, r4= 6.69,
igr1= 323, 324, 325, 327, 328, 329,
&end
#
# 23 LEU QQD 36 TYR QE 3.56
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1= 323, 324, 325, 327, 328, 329,
igr2= 533, 538,
&end
#
# 23 LEU QQD 54 VAL QG1 3.06
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1= 323, 324, 325, 327, 328, 329,
igr2= 821, 822, 823,
&end
#
# 23 LEU QQD 54 VAL QG2 2.63
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76,
igr1= 323, 324, 325, 327, 328, 329,
igr2= 825, 826, 827,
&end
#
# 23 LEU QQD 56 VAL HB 4.68
&rst
ixpk= 0, nxpk= 0, iat= -1, 849, r1= 1.30, r2= 1.80, r3= 6.31, r4= 6.81,
igr1= 323, 324, 325, 327, 328, 329,
&end
#
# 23 LEU QQD 56 VAL QG2 2.48
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51,
igr1= 323, 324, 325, 327, 328, 329,
igr2= 855, 856, 857,
&end
#
# 23 LEU QQD 76 ALA HA 3.17
&rst
ixpk= 0, nxpk= 0, iat= -1,1123, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,
igr1= 323, 324, 325, 327, 328, 329,
&end
#
# 23 LEU QQD 76 ALA QB 2.98
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32,
igr1= 323, 324, 325, 327, 328, 329,
igr2=1125,1126,1127,
&end
#
# 23 LEU QQD 79 ALA HA 4.99
&rst
ixpk= 0, nxpk= 0, iat= -1,1164, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 323, 324, 325, 327, 328, 329,
&end
#
# 23 LEU QQD 80 LEU HA 3.99
&rst
ixpk= 0, nxpk= 0, iat= -1,1174, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88,
igr1= 323, 324, 325, 327, 328, 329,
&end
#
# 23 LEU QQD 80 LEU QQD 2.69
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39,
igr1= 323, 324, 325, 327, 328, 329,
igr2=1181,1182,1183,1185,1186,1187,
&end
#
# 23 LEU QQD 83 LEU QD1 3.07
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47,
igr1= 323, 324, 325, 327, 328, 329,
igr2=1239,1240,1241,
&end
#
# 26 TYR HB2 80 LEU QQD 4.13
&rst
ixpk= 0, nxpk= 0, iat= 369, -1, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07,
igr2=1181,1182,1183,1185,1186,1187,
&end
#
# 26 TYR HB3 80 LEU QQD 3.88
&rst
ixpk= 0, nxpk= 0, iat= 370, -1, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73,
igr2=1181,1182,1183,1185,1186,1187,
&end
#
# 26 TYR QD 80 LEU QQD 3.28
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,
igr1= 373, 382,
igr2=1181,1182,1183,1185,1186,1187,
&end
#
# 26 TYR QD 83 LEU QB 4.77
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.01, r4= 6.51,
igr1= 373, 382,
igr2=1234,1235,
&end
#
# 26 TYR QE 80 LEU QQD 4.56
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.90, r4= 7.40,
igr1= 375, 380,
igr2=1181,1182,1183,1185,1186,1187,
&end
#
# 26 TYR QE 83 LEU QB 3.67
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
igr1= 375, 380,
igr2=1234,1235,
&end
#
# 30 ILE HB 32 LYS QD 4.81
&rst
ixpk= 0, nxpk= 0, iat= 435, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 467, 468,
&end
#
# 30 ILE HG13 32 LYS QD 4.68
&rst
ixpk= 0, nxpk= 0, iat= 442, -1, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75,
igr2= 467, 468,
&end
#
# 30 ILE QD1 32 LYS QD 3.89
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,
igr1= 444, 445, 446,
igr2= 467, 468,
&end
#
# 30 ILE QD1 32 LYS QE 3.99
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88,
igr1= 444, 445, 446,
igr2= 470, 471,
&end
#
# 31 GLY QA 32 LYS HA 4.69
&rst
ixpk= 0, nxpk= 0, iat= -1, 459, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76,
igr1= 452, 453,
&end
#
# 31 GLY QA 32 LYS QG 4.63
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.83, r4= 6.33,
igr1= 452, 453,
igr2= 464, 465,
&end
#
# 32 LYS HA 32 LYS QD 3.00
&rst
ixpk= 0, nxpk= 0, iat= 459, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2= 467, 468,
&end
#
# 32 LYS HA 32 LYS QE 4.57
&rst
ixpk= 0, nxpk= 0, iat= 459, -1, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63,
igr2= 470, 471,
&end
#
# 32 LYS HB2 32 LYS QD 3.52
&rst
ixpk= 0, nxpk= 0, iat= 461, -1, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45,
igr2= 467, 468,
&end
#
# 32 LYS HB2 32 LYS QE 4.51
&rst
ixpk= 0, nxpk= 0, iat= 461, -1, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,
igr2= 470, 471,
&end
#
# 32 LYS HB3 32 LYS QD 3.71
&rst
ixpk= 0, nxpk= 0, iat= 462, -1, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66,
igr2= 467, 468,
&end
#
# 32 LYS HB3 32 LYS QE 4.62
&rst
ixpk= 0, nxpk= 0, iat= 462, -1, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,
igr2= 470, 471,
&end
#
# 32 LYS HB3 57 GLY QA 3.89
&rst
ixpk= 0, nxpk= 0, iat= 462, -1, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87,
igr2= 863, 864,
&end
#
# 32 LYS QG 32 LYS QE 2.87
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.62, r4= 4.12,
igr1= 464, 465,
igr2= 470, 471,
&end
#
# 32 LYS QG 57 GLY QA 3.57
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,
igr1= 464, 465,
igr2= 863, 864,
&end
#
# 32 LYS QD 32 LYS QE 2.37
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 2.99, r4= 3.49,
igr1= 467, 468,
igr2= 470, 471,
&end
#
# 32 LYS QD 57 GLY QA 3.01
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29,
igr1= 467, 468,
igr2= 863, 864,
&end
#
# 32 LYS QE 57 GLY QA 3.64
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09,
igr1= 470, 471,
igr2= 863, 864,
&end
#
# 34 PRO HA 35 VAL QQG 4.85
&rst
ixpk= 0, nxpk= 0, iat= 503, -1, r1= 1.30, r2= 1.80, r3= 6.54, r4= 7.04,
igr2= 513, 514, 515, 517, 518, 519,
&end
#
# 35 VAL HA 35 VAL QQG 2.73
&rst
ixpk= 0, nxpk= 0, iat= 509, -1, r1= 1.30, r2= 1.80, r3= 3.68, r4= 4.18,
igr2= 513, 514, 515, 517, 518, 519,
&end
#
# 35 VAL QQG 55 THR HB 3.22
&rst
ixpk= 0, nxpk= 0, iat= -1, 835, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84,
igr1= 513, 514, 515, 517, 518, 519,
&end
#
# 35 VAL QQG 55 THR QG2 3.51
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18,
igr1= 513, 514, 515, 517, 518, 519,
igr2= 837, 838, 839,
&end
#
# 36 TYR HB2 72 LYS QE 3.96
&rst
ixpk= 0, nxpk= 0, iat= 527, -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
igr2=1063,1064,
&end
#
# 36 TYR HB3 72 LYS QE 4.59
&rst
ixpk= 0, nxpk= 0, iat= 528, -1, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,
igr2=1063,1064,
&end
#
# 36 TYR QD 52 PHE QB 4.53
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.71, r4= 6.21,
igr1= 531, 540,
igr2= 775, 776,
&end
#
# 36 TYR QD 72 LYS QE 4.16
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,
igr1= 531, 540,
igr2=1063,1064,
&end
#
# 37 ASP HA 39 LEU QQD 4.89
&rst
ixpk= 0, nxpk= 0, iat= 546, -1, r1= 1.30, r2= 1.80, r3= 6.59, r4= 7.09,
igr2= 584, 585, 586, 588, 589, 590,
&end
#
# 37 ASP HB2 39 LEU QQD 3.85
&rst
ixpk= 0, nxpk= 0, iat= 548, -1, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,
igr2= 584, 585, 586, 588, 589, 590,
&end
#
# 37 ASP HB3 39 LEU QQD 3.30
&rst
ixpk= 0, nxpk= 0, iat= 549, -1, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95,
igr2= 584, 585, 586, 588, 589, 590,
&end
#
# 38 LEU HA 38 LEU QQD 2.85
&rst
ixpk= 0, nxpk= 0, iat= 558, -1, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34,
igr2= 565, 566, 567, 569, 570, 571,
&end
#
# 38 LEU HB2 38 LEU QQD 2.84
&rst
ixpk= 0, nxpk= 0, iat= 560, -1, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33,
igr2= 565, 566, 567, 569, 570, 571,
&end
#
# 38 LEU HB3 38 LEU QQD 2.64
&rst
ixpk= 0, nxpk= 0, iat= 561, -1, r1= 1.30, r2= 1.80, r3= 3.56, r4= 4.06,
igr2= 565, 566, 567, 569, 570, 571,
&end
#
# 38 LEU QQD 40 LYS HA 4.91
&rst
ixpk= 0, nxpk= 0, iat= -1, 596, r1= 1.30, r2= 1.80, r3= 6.62, r4= 7.12,
igr1= 565, 566, 567, 569, 570, 571,
&end
#
# 38 LEU QQD 41 ALA QB 2.73
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92,
igr1= 565, 566, 567, 569, 570, 571,
igr2= 620, 621, 622,
&end
#
# 38 LEU QQD 50 PHE HA 3.73
&rst
ixpk= 0, nxpk= 0, iat= -1, 739, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,
igr1= 565, 566, 567, 569, 570, 571,
&end
#
# 38 LEU QQD 50 PHE QB 3.18
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.81, r4= 5.31,
igr1= 565, 566, 567, 569, 570, 571,
igr2= 741, 742,
&end
#
# 38 LEU QQD 50 PHE QD 2.86
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,
igr1= 565, 566, 567, 569, 570, 571,
igr2= 745, 753,
&end
#
# 38 LEU QQD 50 PHE QE 3.62
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98,
igr1= 565, 566, 567, 569, 570, 571,
igr2= 747, 751,
&end
#
# 38 LEU QQD 51 THR HA 4.71
&rst
ixpk= 0, nxpk= 0, iat= -1, 759, r1= 1.30, r2= 1.80, r3= 6.35, r4= 6.85,
igr1= 565, 566, 567, 569, 570, 571,
&end
#
# 38 LEU QQD 51 THR HB 4.72
&rst
ixpk= 0, nxpk= 0, iat= -1, 761, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 565, 566, 567, 569, 570, 571,
&end
#
# 38 LEU QQD 51 THR QG2 4.78
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.74, r4= 8.24,
igr1= 565, 566, 567, 569, 570, 571,
igr2= 763, 764, 765,
&end
#
# 38 LEU QQD 52 PHE HA 3.40
&rst
ixpk= 0, nxpk= 0, iat= -1, 773, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
igr1= 565, 566, 567, 569, 570, 571,
&end
#
# 38 LEU QQD 52 PHE QD 2.96
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98,
igr1= 565, 566, 567, 569, 570, 571,
igr2= 779, 787,
&end
#
# 38 LEU QQD 52 PHE QE 3.27
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1= 565, 566, 567, 569, 570, 571,
igr2= 781, 785,
&end
#
# 38 LEU QQD 52 PHE HZ 3.37
&rst
ixpk= 0, nxpk= 0, iat= -1, 783, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
igr1= 565, 566, 567, 569, 570, 571,
&end
#
# 38 LEU QQD 68 LYS HA 3.90
&rst
ixpk= 0, nxpk= 0, iat= -1, 988, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76,
igr1= 565, 566, 567, 569, 570, 571,
&end
#
# 38 LEU QQD 68 LYS QB 4.69
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.10, r4= 7.60,
igr1= 565, 566, 567, 569, 570, 571,
igr2= 990, 991,
&end
#
# 38 LEU QQD 68 LYS QG 3.80
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25,
igr1= 565, 566, 567, 569, 570, 571,
igr2= 993, 994,
&end
#
# 38 LEU QQD 68 LYS QD 4.38
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.63, r4= 7.13,
igr1= 565, 566, 567, 569, 570, 571,
igr2= 996, 997,
&end
#
# 38 LEU QQD 68 LYS QE 3.16
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28,
igr1= 565, 566, 567, 569, 570, 571,
igr2= 999,1000,
&end
#
# 38 LEU QQD 71 ALA QB 4.12
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.67, r4= 7.17,
igr1= 565, 566, 567, 569, 570, 571,
igr2=1044,1045,1046,
&end
#
# 39 LEU QQD 40 LYS HB2 4.56
&rst
ixpk= 0, nxpk= 0, iat= -1, 598, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65,
igr1= 584, 585, 586, 588, 589, 590,
&end
#
# 39 LEU QQD 51 THR HB 3.70
&rst
ixpk= 0, nxpk= 0, iat= -1, 761, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49,
igr1= 584, 585, 586, 588, 589, 590,
&end
#
# 39 LEU QQD 51 THR QG2 2.63
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76,
igr1= 584, 585, 586, 588, 589, 590,
igr2= 763, 764, 765,
&end
#
# 39 LEU QQD 52 PHE HA 4.06
&rst
ixpk= 0, nxpk= 0, iat= -1, 773, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
igr1= 584, 585, 586, 588, 589, 590,
&end
#
# 39 LEU QQD 53 ARG HA 3.82
&rst
ixpk= 0, nxpk= 0, iat= -1, 793, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,
igr1= 584, 585, 586, 588, 589, 590,
&end
#
# 39 LEU QQD 53 ARG HB2 2.73
&rst
ixpk= 0, nxpk= 0, iat= -1, 795, r1= 1.30, r2= 1.80, r3= 3.68, r4= 4.18,
igr1= 584, 585, 586, 588, 589, 590,
&end
#
# 39 LEU QQD 53 ARG HB3 3.13
&rst
ixpk= 0, nxpk= 0, iat= -1, 796, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72,
igr1= 584, 585, 586, 588, 589, 590,
&end
#
# 39 LEU QQD 53 ARG QD 3.05
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,
igr1= 584, 585, 586, 588, 589, 590,
igr2= 801, 802,
&end
#
# 39 LEU QQD 62 THR HA 4.01
&rst
ixpk= 0, nxpk= 0, iat= -1, 918, r1= 1.30, r2= 1.80, r3= 5.41, r4= 5.91,
igr1= 584, 585, 586, 588, 589, 590,
&end
#
# 39 LEU QQD 62 THR HB 3.80
&rst
ixpk= 0, nxpk= 0, iat= -1, 920, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
igr1= 584, 585, 586, 588, 589, 590,
&end
#
# 39 LEU QQD 62 THR QG2 2.48
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51,
igr1= 584, 585, 586, 588, 589, 590,
igr2= 922, 923, 924,
&end
#
# 40 LYS HA 40 LYS QG 3.22
&rst
ixpk= 0, nxpk= 0, iat= 596, -1, r1= 1.30, r2= 1.80, r3= 3.61, r4= 4.11,
igr2= 601, 602,
&end
#
# 40 LYS HB3 42 GLU QG 4.85
&rst
ixpk= 0, nxpk= 0, iat= 599, -1, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94,
igr2= 633, 634,
&end
#
# 40 LYS QG 40 LYS QE 2.99
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1= 601, 602,
igr2= 607, 608,
&end
#
# 40 LYS QG 42 GLU QB 4.75
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.98, r4= 6.48,
igr1= 601, 602,
igr2= 630, 631,
&end
#
# 40 LYS QG 42 GLU QG 3.91
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43,
igr1= 601, 602,
igr2= 633, 634,
&end
#
# 40 LYS QD 42 GLU QG 3.65
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
igr1= 604, 605,
igr2= 633, 634,
&end
#
# 40 LYS QE 42 GLU QG 4.49
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
igr1= 607, 608,
igr2= 633, 634,
&end
#
# 41 ALA QB 42 GLU QG 4.75
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.40, r4= 6.90,
igr1= 620, 621, 622,
igr2= 633, 634,
&end
#
# 42 GLU QB 49 ASN QB 4.99
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.29, r4= 6.79,
igr1= 630, 631,
igr2= 727, 728,
&end
#
# 42 GLU QG 43 GLY QA 4.64
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.85, r4= 6.35,
igr1= 633, 634,
igr2= 643, 644,
&end
#
# 43 GLY QA 44 GLN QG 4.07
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63,
igr1= 643, 644,
igr2= 655, 656,
&end
#
# 47 GLN HA 47 GLN QG 3.47
&rst
ixpk= 0, nxpk= 0, iat= 694, -1, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39,
igr2= 699, 700,
&end
#
# 47 GLN QB 48 PRO HD2 4.90
&rst
ixpk= 0, nxpk= 0, iat= -1, 710, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
igr1= 696, 697,
&end
#
# 48 PRO HG2 67 SER QB 4.88
&rst
ixpk= 0, nxpk= 0, iat= 713, -1, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98,
igr2= 979, 980,
&end
#
# 48 PRO HD2 66 PRO QB 4.80
&rst
ixpk= 0, nxpk= 0, iat= 710, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr2= 968, 969,
&end
#
# 50 PHE QD 67 SER QB 4.79
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.04, r4= 6.54,
igr1= 745, 753,
igr2= 979, 980,
&end
#
# 50 PHE QE 67 SER QB 4.40
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,
igr1= 747, 751,
igr2= 979, 980,
&end
#
# 50 PHE QE 68 LYS QE 4.77
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.01, r4= 6.51,
igr1= 747, 751,
igr2= 999,1000,
&end
#
# 52 PHE QB 71 ALA QB 3.86
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,
igr1= 775, 776,
igr2=1044,1045,1046,
&end
#
# 52 PHE QB 72 LYS HA 3.98
&rst
ixpk= 0, nxpk= 0, iat= -1,1052, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97,
igr1= 775, 776,
&end
#
# 52 PHE QD 68 LYS QG 4.57
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26,
igr1= 779, 787,
igr2= 993, 994,
&end
#
# 52 PHE QD 72 LYS QE 4.39
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.53, r4= 6.03,
igr1= 779, 787,
igr2=1063,1064,
&end
#
# 52 PHE QE 68 LYS QB 4.90
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 781, 785,
igr2= 990, 991,
&end
#
# 52 PHE QE 68 LYS QG 4.43
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08,
igr1= 781, 785,
igr2= 993, 994,
&end
#
# 52 PHE HZ 68 LYS QG 4.50
&rst
ixpk= 0, nxpk= 0, iat= 783, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 993, 994,
&end
#
# 52 PHE HZ 68 LYS QD 3.74
&rst
ixpk= 0, nxpk= 0, iat= 783, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2= 996, 997,
&end
#
# 52 PHE HZ 68 LYS QE 4.77
&rst
ixpk= 0, nxpk= 0, iat= 783, -1, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85,
igr2= 999,1000,
&end
#
# 54 VAL QG1 61 CYS QB 3.16
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76,
igr1= 821, 822, 823,
igr2= 909, 910,
&end
#
# 54 VAL QG1 78 VAL QQG 4.21
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.82, r4= 7.32,
igr1= 821, 822, 823,
igr2=1152,1153,1154,1156,1157,1158,
&end
#
# 54 VAL QG2 61 CYS QB 4.91
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.62, r4= 7.12,
igr1= 825, 826, 827,
igr2= 909, 910,
&end
#
# 56 VAL QG1 57 GLY QA 4.29
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28,
igr1= 851, 852, 853,
igr2= 863, 864,
&end
#
# 58 ASP QB 59 THR HA 4.70
&rst
ixpk= 0, nxpk= 0, iat= -1, 882, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
igr1= 872, 873,
&end
#
# 61 CYS HA 78 VAL QQG 3.95
&rst
ixpk= 0, nxpk= 0, iat= 907, -1, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82,
igr2=1152,1153,1154,1156,1157,1158,
&end
#
# 61 CYS QB 62 THR HA 4.85
&rst
ixpk= 0, nxpk= 0, iat= -1, 918, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94,
igr1= 909, 910,
&end
#
# 61 CYS QB 75 ALA QB 4.12
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.55, r4= 6.05,
igr1= 909, 910,
igr2=1115,1116,1117,
&end
#
# 61 CYS QB 78 VAL HA 4.80
&rst
ixpk= 0, nxpk= 0, iat= -1,1148, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1= 909, 910,
&end
#
# 61 CYS QB 78 VAL HB 3.59
&rst
ixpk= 0, nxpk= 0, iat= -1,1150, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53,
igr1= 909, 910,
&end
#
# 61 CYS QB 78 VAL QQG 2.59
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42,
igr1= 909, 910,
igr2=1152,1153,1154,1156,1157,1158,
&end
#
# 61 CYS QB 79 ALA QB 3.40
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
igr1= 909, 910,
igr2=1166,1167,1168,
&end
#
# 63 GLY HA2 78 VAL QQG 4.35
&rst
ixpk= 0, nxpk= 0, iat= 932, -1, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36,
igr2=1152,1153,1154,1156,1157,1158,
&end
#
# 63 GLY HA3 78 VAL QQG 4.76
&rst
ixpk= 0, nxpk= 0, iat= 933, -1, r1= 1.30, r2= 1.80, r3= 6.42, r4= 6.92,
igr2=1152,1153,1154,1156,1157,1158,
&end
#
# 65 GLY QA 66 PRO HG2 4.28
&rst
ixpk= 0, nxpk= 0, iat= -1, 965, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr1= 956, 957,
&end
#
# 65 GLY QA 66 PRO HG3 4.43
&rst
ixpk= 0, nxpk= 0, iat= -1, 966, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47,
igr1= 956, 957,
&end
#
# 65 GLY QA 66 PRO QD 2.99
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1= 956, 957,
igr2= 962, 963,
&end
#
# 65 GLY QA 70 ALA QB 3.54
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,
igr1= 956, 957,
igr2=1034,1035,1036,
&end
#
# 65 GLY QA 71 ALA HA 4.27
&rst
ixpk= 0, nxpk= 0, iat= -1,1042, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,
igr1= 956, 957,
&end
#
# 66 PRO QB 70 ALA QB 4.40
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43,
igr1= 968, 969,
igr2=1034,1035,1036,
&end
#
# 66 PRO QD 70 ALA QB 3.22
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84,
igr1= 962, 963,
igr2=1034,1035,1036,
&end
#
# 68 LYS HA 68 LYS QD 4.77
&rst
ixpk= 0, nxpk= 0, iat= 988, -1, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85,
igr2= 996, 997,
&end
#
# 74 LYS HA 77 GLU QG 3.70
&rst
ixpk= 0, nxpk= 0, iat=1091, -1, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65,
igr2=1138,1139,
&end
#
# 74 LYS HA 78 VAL QQG 4.20
&rst
ixpk= 0, nxpk= 0, iat=1091, -1, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
igr2=1152,1153,1154,1156,1157,1158,
&end
#
# 74 LYS QB 78 VAL QQG 4.34
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.57, r4= 7.07,
igr1=1093,1094,
igr2=1152,1153,1154,1156,1157,1158,
&end
#
# 74 LYS HG2 78 VAL QQG 4.10
&rst
ixpk= 0, nxpk= 0, iat=1096, -1, r1= 1.30, r2= 1.80, r3= 5.53, r4= 6.03,
igr2=1152,1153,1154,1156,1157,1158,
&end
#
# 74 LYS HG3 77 GLU QG 4.76
&rst
ixpk= 0, nxpk= 0, iat=1097, -1, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
igr2=1138,1139,
&end
#
# 74 LYS HG3 78 VAL QQG 3.03
&rst
ixpk= 0, nxpk= 0, iat=1097, -1, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58,
igr2=1152,1153,1154,1156,1157,1158,
&end
#
# 74 LYS HD2 77 GLU QG 3.97
&rst
ixpk= 0, nxpk= 0, iat=1099, -1, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96,
igr2=1138,1139,
&end
#
# 74 LYS HD2 78 VAL QQG 3.76
&rst
ixpk= 0, nxpk= 0, iat=1099, -1, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,
igr2=1152,1153,1154,1156,1157,1158,
&end
#
# 74 LYS HD3 78 VAL QQG 4.19
&rst
ixpk= 0, nxpk= 0, iat=1100, -1, r1= 1.30, r2= 1.80, r3= 5.65, r4= 6.15,
igr2=1152,1153,1154,1156,1157,1158,
&end
#
# 75 ALA HA 78 VAL QQG 3.10
&rst
ixpk= 0, nxpk= 0, iat=1113, -1, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68,
igr2=1152,1153,1154,1156,1157,1158,
&end
#
# 75 ALA QB 78 VAL QQG 4.01
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
igr1=1115,1116,1117,
igr2=1152,1153,1154,1156,1157,1158,
&end
#
# 76 ALA QB 80 LEU QQD 3.11
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,
igr1=1125,1126,1127,
igr2=1181,1182,1183,1185,1186,1187,
&end
#
# 77 GLU HA 77 GLU QG 3.36
&rst
ixpk= 0, nxpk= 0, iat=1133, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr2=1138,1139,
&end
#
# 77 GLU HA 78 VAL QQG 4.87
&rst
ixpk= 0, nxpk= 0, iat=1133, -1, r1= 1.30, r2= 1.80, r3= 6.56, r4= 7.06,
igr2=1152,1153,1154,1156,1157,1158,
&end
#
# 77 GLU HA 80 LEU QQD 3.14
&rst
ixpk= 0, nxpk= 0, iat=1133, -1, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73,
igr2=1181,1182,1183,1185,1186,1187,
&end
#
# 77 GLU HB2 80 LEU QQD 4.24
&rst
ixpk= 0, nxpk= 0, iat=1135, -1, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,
igr2=1181,1182,1183,1185,1186,1187,
&end
#
# 77 GLU HB3 78 VAL QQG 4.54
&rst
ixpk= 0, nxpk= 0, iat=1136, -1, r1= 1.30, r2= 1.80, r3= 6.12, r4= 6.62,
igr2=1152,1153,1154,1156,1157,1158,
&end
#
# 77 GLU HB3 80 LEU QQD 4.43
&rst
ixpk= 0, nxpk= 0, iat=1136, -1, r1= 1.30, r2= 1.80, r3= 5.97, r4= 6.47,
igr2=1181,1182,1183,1185,1186,1187,
&end
#
# 77 GLU QG 78 VAL HA 4.34
&rst
ixpk= 0, nxpk= 0, iat= -1,1148, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37,
igr1=1138,1139,
&end
#
# 77 GLU QG 78 VAL QQG 3.02
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07,
igr1=1138,1139,
igr2=1152,1153,1154,1156,1157,1158,
&end
#
# 77 GLU QG 80 LEU QQD 4.60
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.96, r4= 7.46,
igr1=1138,1139,
igr2=1181,1182,1183,1185,1186,1187,
&end
#
# 77 GLU QG 81 LYS QG 4.63
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.83, r4= 6.33,
igr1=1138,1139,
igr2=1198,1199,
&end
#
# 77 GLU QG 81 LYS QD 3.83
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
igr1=1138,1139,
igr2=1201,1202,
&end
#
# 77 GLU QG 81 LYS QE 4.06
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
igr1=1138,1139,
igr2=1204,1205,
&end
#
# 78 VAL HA 78 VAL QQG 2.33
&rst
ixpk= 0, nxpk= 0, iat=1148, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2=1152,1153,1154,1156,1157,1158,
&end
#
# 78 VAL HA 81 LYS QG 3.96
&rst
ixpk= 0, nxpk= 0, iat=1148, -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
igr2=1198,1199,
&end
#
# 78 VAL QQG 79 ALA HA 3.69
&rst
ixpk= 0, nxpk= 0, iat= -1,1164, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47,
igr1=1152,1153,1154,1156,1157,1158,
&end
#
# 78 VAL QQG 81 LYS HB2 4.20
&rst
ixpk= 0, nxpk= 0, iat= -1,1195, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
igr1=1152,1153,1154,1156,1157,1158,
&end
#
# 78 VAL QQG 81 LYS HB3 4.88
&rst
ixpk= 0, nxpk= 0, iat= -1,1196, r1= 1.30, r2= 1.80, r3= 6.58, r4= 7.08,
igr1=1152,1153,1154,1156,1157,1158,
&end
#
# 78 VAL QQG 81 LYS QD 3.58
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,
igr1=1152,1153,1154,1156,1157,1158,
igr2=1201,1202,
&end
#
# 78 VAL QQG 82 HIS HD2 2.85
&rst
ixpk= 0, nxpk= 0, iat= -1,1226, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34,
igr1=1152,1153,1154,1156,1157,1158,
&end
#
# 78 VAL QQG 82 HIS HE1 4.91
&rst
ixpk= 0, nxpk= 0, iat= -1,1222, r1= 1.30, r2= 1.80, r3= 6.62, r4= 7.12,
igr1=1152,1153,1154,1156,1157,1158,
&end
#
# 80 LEU HA 80 LEU QQD 3.05
&rst
ixpk= 0, nxpk= 0, iat=1174, -1, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,
igr2=1181,1182,1183,1185,1186,1187,
&end
#
# 80 LEU HA 83 LEU QB 4.09
&rst
ixpk= 0, nxpk= 0, iat=1174, -1, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09,
igr2=1234,1235,
&end
#
# 80 LEU HB2 80 LEU QQD 2.76
&rst
ixpk= 0, nxpk= 0, iat=1176, -1, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22,
igr2=1181,1182,1183,1185,1186,1187,
&end
#
# 80 LEU HB3 80 LEU QQD 2.69
&rst
ixpk= 0, nxpk= 0, iat=1177, -1, r1= 1.30, r2= 1.80, r3= 3.63, r4= 4.13,
igr2=1181,1182,1183,1185,1186,1187,
&end
#
# 80 LEU QQD 83 LEU QD1 4.17
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.75, r4= 7.25,
igr1=1181,1182,1183,1185,1186,1187,
igr2=1239,1240,1241,
&end
#
# 80 LEU QQD 84 LYS QE 3.98
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.02, r4= 6.52,
igr1=1181,1182,1183,1185,1186,1187,
igr2=1262,1263,
&end
#
# 81 LYS QG 84 LYS QE 4.74
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.97, r4= 6.47,
igr1=1198,1199,
igr2=1262,1263,
&end
#
# 83 LEU QB 83 LEU QD1 2.90
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41,
igr1=1234,1235,
igr2=1239,1240,1241,
&end
#
# 83 LEU QB 83 LEU QD2 3.25
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,
igr1=1234,1235,
igr2=1243,1244,1245,
&end
#
# 84 LYS HA 84 LYS QG 2.91
&rst
ixpk= 0, nxpk= 0, iat=1251, -1, r1= 1.30, r2= 1.80, r3= 3.27, r4= 3.77,
igr2=1256,1257,
&end
#
# 103 LEU H 103 LEU HG 3.00
&rst
ixpk= 0, nxpk= 0, iat=1549,1556, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 103 LEU HA 103 LEU QD2 2.00
&rst
ixpk= 0, nxpk= 0, iat=1551, -1, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90,
igr2=1562,1563,1564,
&end
#
# 140 LEU HA 143 ARG HD2 5.05
&rst
ixpk= 0, nxpk= 0, iat=2138,2197, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, &end
#
# 140 LEU HA 143 ARG HD3 5.05
&rst
ixpk= 0, nxpk= 0, iat=2138,2198, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, &end
#
# 133 GLY HA2 145 ALA QB 4.50
&rst
ixpk= 0, nxpk= 0, iat=2044, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2=2229,2230,2231,
&end
#
# 117 ARG HA 117 ARG QD 4.20
&rst
ixpk= 0, nxpk= 0, iat=1755, -1, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
igr2=1763,1764,
&end
#
# 117 ARG HB2 117 ARG QD 3.87
&rst
ixpk= 0, nxpk= 0, iat=1757, -1, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84,
igr2=1763,1764,
&end
#
# 117 ARG QG 117 ARG QD 2.84
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.58, r4= 4.08,
igr1=1760,1761,
igr2=1763,1764,
&end
#
# 117 ARG HB3 117 ARG QD 3.87
&rst
ixpk= 0, nxpk= 0, iat=1758, -1, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84,
igr2=1763,1764,
&end
#
# 102 ARG HA 102 ARG QD 4.21
&rst
ixpk= 0, nxpk= 0, iat=1527, -1, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,
igr2=1535,1536,
&end
#
# 102 ARG HB3 102 ARG QD 3.26
&rst
ixpk= 0, nxpk= 0, iat=1530, -1, r1= 1.30, r2= 1.80, r3= 3.66, r4= 4.16,
igr2=1535,1536,
&end
#
# 102 ARG H 102 ARG QD 4.19
&rst
ixpk= 0, nxpk= 0, iat=1525, -1, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,
igr2=1535,1536,
&end
#
# 102 ARG HB2 102 ARG QD 3.26
&rst
ixpk= 0, nxpk= 0, iat=1529, -1, r1= 1.30, r2= 1.80, r3= 3.66, r4= 4.16,
igr2=1535,1536,
&end
#
# 125 ARG HB3 125 ARG QD 3.50
&rst
ixpk= 0, nxpk= 0, iat=1895, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1900,1901,
&end
#
# 128 ARG HA 128 ARG QD 4.21
&rst
ixpk= 0, nxpk= 0, iat=1947, -1, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,
igr2=1955,1956,
&end
#
# 128 ARG HB3 128 ARG QD 3.57
&rst
ixpk= 0, nxpk= 0, iat=1950, -1, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51,
igr2=1955,1956,
&end
#
# 128 ARG HB2 128 ARG QD 3.57
&rst
ixpk= 0, nxpk= 0, iat=1949, -1, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51,
igr2=1955,1956,
&end
#
# 128 ARG QG 128 ARG QD 2.73
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.44, r4= 3.94,
igr1=1952,1953,
igr2=1955,1956,
&end
#
# 148 LYS QD 148 LYS HE3 2.98
&rst
ixpk= 0, nxpk= 0, iat= -1,2269, r1= 1.30, r2= 1.80, r3= 3.34, r4= 3.84,
igr1=2265,2266,
&end
#
# 148 LYS HA 148 LYS HE3 4.59
&rst
ixpk= 0, nxpk= 0, iat=2257,2269, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09, &end
#
# 148 LYS HA 148 LYS HE2 4.59
&rst
ixpk= 0, nxpk= 0, iat=2257,2268, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09, &end
#
# 148 LYS QD 148 LYS HE2 2.98
&rst
ixpk= 0, nxpk= 0, iat= -1,2268, r1= 1.30, r2= 1.80, r3= 3.34, r4= 3.84,
igr1=2265,2266,
&end
#
# 95 LEU H 95 LEU HB2 4.02
&rst
ixpk= 0, nxpk= 0, iat=1404,1408, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52, &end
#
# 95 LEU HB2 95 LEU QD1 4.06
&rst
ixpk= 0, nxpk= 0, iat=1408, -1, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,
igr2=1413,1414,1415,
&end
#
# 95 LEU HB2 95 LEU QD2 4.06
&rst
ixpk= 0, nxpk= 0, iat=1408, -1, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,
igr2=1417,1418,1419,
&end
#
# 95 LEU H 95 LEU HB3 4.02
&rst
ixpk= 0, nxpk= 0, iat=1404,1409, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52, &end
#
# 95 LEU HB3 95 LEU QD2 4.06
&rst
ixpk= 0, nxpk= 0, iat=1409, -1, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,
igr2=1417,1418,1419,
&end
#
# 152 ARG QD 153 VAL H 4.72
&rst
ixpk= 0, nxpk= 0, iat= -1,2356, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1=2342,2343,
&end
#
# 149 MET HA 152 ARG QD 5.50
&rst
ixpk= 0, nxpk= 0, iat=2279, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=2342,2343,
&end
#
# 152 ARG HA 152 ARG QD 3.21
&rst
ixpk= 0, nxpk= 0, iat=2334, -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr2=2342,2343,
&end
#
# 152 ARG HB2 152 ARG QD 3.61
&rst
ixpk= 0, nxpk= 0, iat=2336, -1, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55,
igr2=2342,2343,
&end
#
# 152 ARG HB3 152 ARG QD 3.87
&rst
ixpk= 0, nxpk= 0, iat=2337, -1, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84,
igr2=2342,2343,
&end
#
# 108 VAL QG2 120 PHE HB3 5.02
&rst
ixpk= 0, nxpk= 0, iat= -1,1819, r1= 1.30, r2= 1.80, r3= 6.03, r4= 6.53,
igr1=1642,1643,1644,
&end
#
# 150 LEU HB2 150 LEU QD1 3.74
&rst
ixpk= 0, nxpk= 0, iat=2298, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2=2303,2304,2305,
&end
#
# 150 LEU HB2 151 LEU H 4.29
&rst
ixpk= 0, nxpk= 0, iat=2298,2313, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79, &end
#
# 150 LEU HB3 151 LEU H 4.29
&rst
ixpk= 0, nxpk= 0, iat=2299,2313, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79, &end
#
# 99 LYS HG2 99 LYS HE2 4.19
&rst
ixpk= 0, nxpk= 0, iat=1479,1485, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69, &end
#
# 95 LEU QD2 99 LYS HE3 4.44
&rst
ixpk= 0, nxpk= 0, iat= -1,1486, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83,
igr1=1417,1418,1419,
&end
#
# 99 LYS HG3 99 LYS HE2 4.19
&rst
ixpk= 0, nxpk= 0, iat=1480,1485, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69, &end
#
# 99 LYS HG2 99 LYS HE3 4.19
&rst
ixpk= 0, nxpk= 0, iat=1479,1486, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69, &end
#
# 99 LYS HG3 99 LYS HE3 4.19
&rst
ixpk= 0, nxpk= 0, iat=1480,1486, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69, &end
#
# 151 LEU HB3 152 ARG H 4.45
&rst
ixpk= 0, nxpk= 0, iat=2318,2332, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95, &end
#
# 151 LEU H 151 LEU HB3 3.74
&rst
ixpk= 0, nxpk= 0, iat=2313,2318, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24, &end
#
# 151 LEU HB2 151 LEU QD2 3.59
&rst
ixpk= 0, nxpk= 0, iat=2317, -1, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81,
igr2=2326,2327,2328,
&end
#
# 129 PHE HA 130 ILE HB 4.80
&rst
ixpk= 0, nxpk= 0, iat=1971,1993, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, &end
#
# 121 THR QG2 132 ILE HB 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,2027, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1=1840,1841,1842,
&end
#
# 123 THR QG2 132 ILE HB 5.29
&rst
ixpk= 0, nxpk= 0, iat= -1,2027, r1= 1.30, r2= 1.80, r3= 6.35, r4= 6.85,
igr1=1871,1872,1873,
&end
#
# 132 ILE HB 133 GLY H 4.03
&rst
ixpk= 0, nxpk= 0, iat=2027,2042, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53, &end
#
# 141 ALA HA 144 ASN HB2 4.22
&rst
ixpk= 0, nxpk= 0, iat=2157,2215, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72, &end
#
# 144 ASN HB3 147 ALA QB 4.67
&rst
ixpk= 0, nxpk= 0, iat=2216, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2=2249,2250,2251,
&end
#
# 108 VAL HA 122 MET HB2 4.67
&rst
ixpk= 0, nxpk= 0, iat=1634,1852, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17, &end
#
# 122 MET HB2 145 ALA QB 5.16
&rst
ixpk= 0, nxpk= 0, iat=1852, -1, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70,
igr2=2229,2230,2231,
&end
#
# 122 MET HB2 141 ALA QB 3.92
&rst
ixpk= 0, nxpk= 0, iat=1852, -1, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
igr2=2159,2160,2161,
&end
#
# 108 VAL HA 122 MET HB3 4.91
&rst
ixpk= 0, nxpk= 0, iat=1634,1853, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41, &end
#
# 122 MET HB3 145 ALA QB 4.54
&rst
ixpk= 0, nxpk= 0, iat=1853, -1, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95,
igr2=2229,2230,2231,
&end
#
# 107 THR HB 123 THR H 4.45
&rst
ixpk= 0, nxpk= 0, iat=1622,1865, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95, &end
#
# 107 THR HB 123 THR HB 4.35
&rst
ixpk= 0, nxpk= 0, iat=1622,1869, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85, &end
#
# 119 GLU HA 119 GLU HG3 4.24
&rst
ixpk= 0, nxpk= 0, iat=1801,1807, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74, &end
#
# 119 GLU HA 119 GLU HG2 4.24
&rst
ixpk= 0, nxpk= 0, iat=1801,1806, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74, &end
#
# 105 GLU H 105 GLU HG2 4.87
&rst
ixpk= 0, nxpk= 0, iat=1582,1589, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37, &end
#
# 105 GLU HA 105 GLU HG2 3.99
&rst
ixpk= 0, nxpk= 0, iat=1584,1589, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49, &end
#
# 105 GLU HA 105 GLU HG3 3.99
&rst
ixpk= 0, nxpk= 0, iat=1584,1590, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49, &end
#
# 126 VAL HB 129 PHE QD 6.00
&rst
ixpk= 0, nxpk= 0, iat=1918, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1977,1985,
&end
#
# 123 THR HB 132 ILE QD1 4.50
&rst
ixpk= 0, nxpk= 0, iat=1869, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2=2036,2037,2038,
&end
#
# 123 THR HB 124 CYS H 4.09
&rst
ixpk= 0, nxpk= 0, iat=1869,1879, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59, &end
#
# 123 THR HB 132 ILE HA 5.26
&rst
ixpk= 0, nxpk= 0, iat=1869,2025, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76, &end
#
# 120 PHE HA 121 THR HB 5.34
&rst
ixpk= 0, nxpk= 0, iat=1816,1838, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84, &end
#
# 110 GLN HB3 121 THR HB 3.85
&rst
ixpk= 0, nxpk= 0, iat=1667,1838, r1= 1.30, r2= 1.80, r3= 3.85, r4= 4.35, &end
#
# 110 GLN HB2 121 THR HB 3.74
&rst
ixpk= 0, nxpk= 0, iat=1666,1838, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24, &end
#
# 131 GLU HB3 149 MET QE 4.49
&rst
ixpk= 0, nxpk= 0, iat=2013, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr2=2288,2289,2290,
&end
#
# 110 GLN HA 110 GLN QG 3.44
&rst
ixpk= 0, nxpk= 0, iat=1664, -1, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36,
igr2=1669,1670,
&end
#
# 110 GLN QG 121 THR HB 4.16
&rst
ixpk= 0, nxpk= 0, iat= -1,1838, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,
igr1=1669,1670,
&end
#
# 125 ARG HB3 130 ILE QG2 5.50
&rst
ixpk= 0, nxpk= 0, iat=1895, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1995,1996,1997,
&end
#
# 125 ARG HB3 130 ILE QD1 5.50
&rst
ixpk= 0, nxpk= 0, iat=1895, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=2002,2003,2004,
&end
#
# 125 ARG HB2 126 VAL H 6.00
&rst
ixpk= 0, nxpk= 0, iat=1894,1914, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 125 ARG HB2 125 ARG QD 4.05
&rst
ixpk= 0, nxpk= 0, iat=1894, -1, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05,
igr2=1900,1901,
&end
#
# 105 GLU HB3 125 ARG HB3 4.42
&rst
ixpk= 0, nxpk= 0, iat=1587,1895, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92, &end
#
# 92 LEU QD2 149 MET HB2 6.20
&rst
ixpk= 0, nxpk= 0, iat= -1,2281, r1= 1.30, r2= 1.80, r3= 7.45, r4= 7.95,
igr1=1366,1367,1368,
&end
#
# 105 GLU HB2 106 TYR H 4.60
&rst
ixpk= 0, nxpk= 0, iat=1586,1597, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, &end
#
# 104 PRO QB 105 GLU H 4.17
&rst
ixpk= 0, nxpk= 0, iat= -1,1582, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,
igr1=1575,1576,
&end
#
# 105 GLU HB2 125 ARG HB3 4.42
&rst
ixpk= 0, nxpk= 0, iat=1586,1895, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92, &end
#
# 108 VAL QG1 122 MET QG 4.51
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.08, r4= 6.58,
igr1=1638,1639,1640,
igr2=1855,1856,
&end
#
# 109 THR H 122 MET QG 5.11
&rst
ixpk= 0, nxpk= 0, iat=1648, -1, r1= 1.30, r2= 1.80, r3= 5.74, r4= 6.24,
igr2=1855,1856,
&end
#
# 106 TYR QD 122 MET QG 4.33
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96,
igr1=1605,1614,
igr2=1855,1856,
&end
#
# 122 MET HA 122 MET QG 4.04
&rst
ixpk= 0, nxpk= 0, iat=1850, -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
igr2=1855,1856,
&end
#
# 108 VAL HA 122 MET QG 4.54
&rst
ixpk= 0, nxpk= 0, iat=1634, -1, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
igr2=1855,1856,
&end
#
# 122 MET QG 142 LYS HA 4.11
&rst
ixpk= 0, nxpk= 0, iat= -1,2167, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,
igr1=1855,1856,
&end
#
# 122 MET QG 145 ALA QB 4.28
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.77, r4= 6.27,
igr1=1855,1856,
igr2=2229,2230,2231,
&end
#
# 122 MET QG 141 ALA QB 4.33
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
igr1=1855,1856,
igr2=2159,2160,2161,
&end
#
# 110 GLN HB2 111 GLU H 4.65
&rst
ixpk= 0, nxpk= 0, iat=1666,1679, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15, &end
#
# 110 GLN HB3 121 THR QG2 6.00
&rst
ixpk= 0, nxpk= 0, iat=1667, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2=1840,1841,1842,
&end
#
# 110 GLN HB2 121 THR H 5.23
&rst
ixpk= 0, nxpk= 0, iat=1666,1834, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73, &end
#
# 110 GLN HB2 121 THR QG2 6.00
&rst
ixpk= 0, nxpk= 0, iat=1666, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2=1840,1841,1842,
&end
#
# 114 PRO QB 116 HIS H 4.32
&rst
ixpk= 0, nxpk= 0, iat= -1,1736, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
igr1=1719,1720,
&end
#
# 121 THR HA 134 SER HB2 4.68
&rst
ixpk= 0, nxpk= 0, iat=1836,2053, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18, &end
#
# 119 GLU HG3 134 SER HB2 5.18
&rst
ixpk= 0, nxpk= 0, iat=1807,2053, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68, &end
#
# 119 GLU HG2 134 SER HB2 5.18
&rst
ixpk= 0, nxpk= 0, iat=1806,2053, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68, &end
#
# 134 SER HB2 141 ALA QB 4.97
&rst
ixpk= 0, nxpk= 0, iat=2053, -1, r1= 1.30, r2= 1.80, r3= 5.97, r4= 6.47,
igr2=2159,2160,2161,
&end
#
# 121 THR QG2 134 SER HB2 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,2053, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1=1840,1841,1842,
&end
#
# 119 GLU HG3 134 SER HB3 5.18
&rst
ixpk= 0, nxpk= 0, iat=1807,2054, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68, &end
#
# 134 SER HB3 141 ALA QB 4.97
&rst
ixpk= 0, nxpk= 0, iat=2054, -1, r1= 1.30, r2= 1.80, r3= 5.97, r4= 6.47,
igr2=2159,2160,2161,
&end
#
# 134 SER HB3 135 GLY H 3.60
&rst
ixpk= 0, nxpk= 0, iat=2054,2060, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10, &end
#
# 119 GLU HG2 134 SER HB3 5.18
&rst
ixpk= 0, nxpk= 0, iat=1806,2054, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68, &end
#
# 121 THR QG2 134 SER HB3 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,2054, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1=1840,1841,1842,
&end
#
# 88 PRO HB3 147 ALA HA 4.58
&rst
ixpk= 0, nxpk= 0, iat=1314,2247, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08, &end
#
# 94 GLU HA 97 VAL HB 4.00
&rst
ixpk= 0, nxpk= 0, iat=1391,1443, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 88 PRO HB2 147 ALA HA 4.58
&rst
ixpk= 0, nxpk= 0, iat=1313,2247, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08, &end
#
# 97 VAL HA 101 TRP H 4.47
&rst
ixpk= 0, nxpk= 0, iat=1441,1501, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97, &end
#
# 143 ARG HB2 144 ASN HA 5.33
&rst
ixpk= 0, nxpk= 0, iat=2191,2213, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83, &end
#
# 140 LEU HA 143 ARG HB2 4.56
&rst
ixpk= 0, nxpk= 0, iat=2138,2191, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06, &end
#
# 140 LEU HA 143 ARG HB3 4.45
&rst
ixpk= 0, nxpk= 0, iat=2138,2192, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95, &end
#
# 143 ARG HB3 144 ASN HA 5.50
&rst
ixpk= 0, nxpk= 0, iat=2192,2213, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 102 ARG H 102 ARG HB3 3.72
&rst
ixpk= 0, nxpk= 0, iat=1525,1530, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22, &end
#
# 88 PRO HA 147 ALA HA 5.16
&rst
ixpk= 0, nxpk= 0, iat=1316,2247, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66, &end
#
# 152 ARG HB3 153 VAL QG2 4.71
&rst
ixpk= 0, nxpk= 0, iat=2337, -1, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
igr2=2366,2367,2368,
&end
#
# 151 LEU HA 154 HIS HB3 4.29
&rst
ixpk= 0, nxpk= 0, iat=2315,2377, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79, &end
#
# 95 LEU QD2 154 HIS HB3 5.29
&rst
ixpk= 0, nxpk= 0, iat= -1,2377, r1= 1.30, r2= 1.80, r3= 6.35, r4= 6.85,
igr1=1417,1418,1419,
&end
#
# 151 LEU HA 154 HIS HB2 4.22
&rst
ixpk= 0, nxpk= 0, iat=2315,2376, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72, &end
#
# 153 VAL QG2 154 HIS HB2 4.21
&rst
ixpk= 0, nxpk= 0, iat= -1,2376, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,
igr1=2366,2367,2368,
&end
#
# 152 ARG HB2 153 VAL QG1 4.91
&rst
ixpk= 0, nxpk= 0, iat=2336, -1, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,
igr2=2362,2363,2364,
&end
#
# 149 MET QG 149 MET QE 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=2284,2285,
igr2=2288,2289,2290,
&end
#
# 148 LYS QD 149 MET H 4.72
&rst
ixpk= 0, nxpk= 0, iat= -1,2277, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1=2265,2266,
&end
#
# 148 LYS QD 151 LEU QD1 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=2265,2266,
igr2=2322,2323,2324,
&end
#
# 148 LYS H 148 LYS QD 3.81
&rst
ixpk= 0, nxpk= 0, iat=2255, -1, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78,
igr2=2265,2266,
&end
#
# 144 ASN HA 148 LYS QD 4.51
&rst
ixpk= 0, nxpk= 0, iat=2213, -1, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,
igr2=2265,2266,
&end
#
# 145 ALA HA 148 LYS QD 5.18
&rst
ixpk= 0, nxpk= 0, iat=2227, -1, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31,
igr2=2265,2266,
&end
#
# 154 HIS HA 155 THR HA 4.62
&rst
ixpk= 0, nxpk= 0, iat=2374,2391, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12, &end
#
# 99 LYS HD2 101 TRP HZ2 4.59
&rst
ixpk= 0, nxpk= 0, iat=1482,1514, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09, &end
#
# 99 LYS HA 99 LYS HD2 3.82
&rst
ixpk= 0, nxpk= 0, iat=1474,1482, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32, &end
#
# 99 LYS H 99 LYS HD2 4.85
&rst
ixpk= 0, nxpk= 0, iat=1472,1482, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35, &end
#
# 99 LYS HD3 101 TRP HZ2 4.59
&rst
ixpk= 0, nxpk= 0, iat=1483,1514, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09, &end
#
# 99 LYS H 99 LYS HD3 4.85
&rst
ixpk= 0, nxpk= 0, iat=1472,1483, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35, &end
#
# 99 LYS HA 99 LYS HD3 3.82
&rst
ixpk= 0, nxpk= 0, iat=1474,1483, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32, &end
#
# 130 ILE HA 130 ILE HG13 4.21
&rst
ixpk= 0, nxpk= 0, iat=1991,2000, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71, &end
#
# 125 ARG QD 130 ILE HG12 4.59
&rst
ixpk= 0, nxpk= 0, iat= -1,1999, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,
igr1=1900,1901,
&end
#
# 123 THR QG2 130 ILE HG12 5.40
&rst
ixpk= 0, nxpk= 0, iat= -1,1999, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
igr1=1871,1872,1873,
&end
#
# 102 ARG HA 102 ARG QG 3.33
&rst
ixpk= 0, nxpk= 0, iat=1527, -1, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24,
igr2=1532,1533,
&end
#
# 102 ARG QG 102 ARG QD 2.97
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24,
igr1=1532,1533,
igr2=1535,1536,
&end
#
# 140 LEU HA 140 LEU HG 4.14
&rst
ixpk= 0, nxpk= 0, iat=2138,2143, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64, &end
#
# 140 LEU H 140 LEU HG 4.60
&rst
ixpk= 0, nxpk= 0, iat=2136,2143, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, &end
#
# 117 ARG HA 117 ARG QG 3.69
&rst
ixpk= 0, nxpk= 0, iat=1755, -1, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64,
igr2=1760,1761,
&end
#
# 132 ILE HA 132 ILE HG13 4.24
&rst
ixpk= 0, nxpk= 0, iat=2025,2034, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74, &end
#
# 131 GLU HA 132 ILE HG13 4.58
&rst
ixpk= 0, nxpk= 0, iat=2010,2034, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08, &end
#
# 124 CYS H 132 ILE HG13 4.74
&rst
ixpk= 0, nxpk= 0, iat=1879,2034, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24, &end
#
# 132 ILE HG12 133 GLY H 4.44
&rst
ixpk= 0, nxpk= 0, iat=2033,2042, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94, &end
#
# 132 ILE H 132 ILE HG12 4.09
&rst
ixpk= 0, nxpk= 0, iat=2023,2033, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59, &end
#
# 92 LEU HA 150 LEU HG 4.71
&rst
ixpk= 0, nxpk= 0, iat=1355,2301, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21, &end
#
# 150 LEU HA 150 LEU HG 4.17
&rst
ixpk= 0, nxpk= 0, iat=2296,2301, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67, &end
#
# 95 LEU HA 95 LEU HG 3.91
&rst
ixpk= 0, nxpk= 0, iat=1406,1411, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41, &end
#
# 121 THR HA 134 SER HB3 4.68
&rst
ixpk= 0, nxpk= 0, iat=1836,2054, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18, &end
#
# 95 LEU HG 96 VAL H 4.66
&rst
ixpk= 0, nxpk= 0, iat=1411,1423, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16, &end
#
# 95 LEU H 95 LEU HG 4.69
&rst
ixpk= 0, nxpk= 0, iat=1404,1411, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19, &end
#
# 95 LEU HG 153 VAL QG2 4.35
&rst
ixpk= 0, nxpk= 0, iat=1411, -1, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
igr2=2366,2367,2368,
&end
#
# 151 LEU HG 152 ARG H 4.61
&rst
ixpk= 0, nxpk= 0, iat=2320,2332, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11, &end
#
# 151 LEU HA 151 LEU HG 3.85
&rst
ixpk= 0, nxpk= 0, iat=2315,2320, r1= 1.30, r2= 1.80, r3= 3.85, r4= 4.35, &end
#
# 148 LYS HA 151 LEU HG 4.18
&rst
ixpk= 0, nxpk= 0, iat=2257,2320, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68, &end
#
# 92 LEU QD2 150 LEU H 4.98
&rst
ixpk= 0, nxpk= 0, iat= -1,2294, r1= 1.30, r2= 1.80, r3= 5.98, r4= 6.48,
igr1=1366,1367,1368,
&end
#
# 123 THR HA 132 ILE QG2 4.09
&rst
ixpk= 0, nxpk= 0, iat=1867, -1, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,
igr2=2029,2030,2031,
&end
#
# 128 ARG H 128 ARG QG 4.19
&rst
ixpk= 0, nxpk= 0, iat=1945, -1, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,
igr2=1952,1953,
&end
#
# 148 LYS HA 148 LYS HG2 3.87
&rst
ixpk= 0, nxpk= 0, iat=2257,2262, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37, &end
#
# 148 LYS HA 148 LYS HG3 3.92
&rst
ixpk= 0, nxpk= 0, iat=2257,2263, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42, &end
#
# 152 ARG HA 152 ARG HG2 3.96
&rst
ixpk= 0, nxpk= 0, iat=2334,2339, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46, &end
#
# 152 ARG H 152 ARG HG2 4.62
&rst
ixpk= 0, nxpk= 0, iat=2332,2339, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12, &end
#
# 149 MET HA 152 ARG HG2 4.55
&rst
ixpk= 0, nxpk= 0, iat=2279,2339, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05, &end
#
# 152 ARG H 152 ARG HG3 4.46
&rst
ixpk= 0, nxpk= 0, iat=2332,2340, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96, &end
#
# 149 MET HA 152 ARG HG3 4.72
&rst
ixpk= 0, nxpk= 0, iat=2279,2340, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, &end
#
# 152 ARG HA 152 ARG HG3 4.06
&rst
ixpk= 0, nxpk= 0, iat=2334,2340, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56, &end
#
# 95 LEU QD2 154 HIS HB2 4.24
&rst
ixpk= 0, nxpk= 0, iat= -1,2376, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
igr1=1417,1418,1419,
&end
#
# 95 LEU QD2 96 VAL H 4.81
&rst
ixpk= 0, nxpk= 0, iat= -1,1423, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28,
igr1=1417,1418,1419,
&end
#
# 95 LEU H 95 LEU QD2 4.32
&rst
ixpk= 0, nxpk= 0, iat=1404, -1, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,
igr2=1417,1418,1419,
&end
#
# 95 LEU QD2 154 HIS HA 3.87
&rst
ixpk= 0, nxpk= 0, iat= -1,2374, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,
igr1=1417,1418,1419,
&end
#
# 95 LEU HA 95 LEU QD2 4.09
&rst
ixpk= 0, nxpk= 0, iat=1406, -1, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,
igr2=1417,1418,1419,
&end
#
# 95 LEU QD2 96 VAL HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1425, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1417,1418,1419,
&end
#
# 95 LEU QD2 99 LYS HE2 4.44
&rst
ixpk= 0, nxpk= 0, iat= -1,1485, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83,
igr1=1417,1418,1419,
&end
#
# 125 ARG HA 130 ILE HA 4.42
&rst
ixpk= 0, nxpk= 0, iat=1892,1991, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92, &end
#
# 142 LYS HA 145 ALA QB 4.37
&rst
ixpk= 0, nxpk= 0, iat=2167, -1, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75,
igr2=2229,2230,2231,
&end
#
# 150 LEU H 150 LEU QD1 4.34
&rst
ixpk= 0, nxpk= 0, iat=2294, -1, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71,
igr2=2303,2304,2305,
&end
#
# 92 LEU H 150 LEU QD1 3.67
&rst
ixpk= 0, nxpk= 0, iat=1353, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr2=2303,2304,2305,
&end
#
# 88 PRO HA 150 LEU QD1 4.30
&rst
ixpk= 0, nxpk= 0, iat=1316, -1, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
igr2=2303,2304,2305,
&end
#
# 150 LEU HA 150 LEU QD1 4.14
&rst
ixpk= 0, nxpk= 0, iat=2296, -1, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47,
igr2=2303,2304,2305,
&end
#
# 91 ALA QB 150 LEU QD1 3.08
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
igr1=1347,1348,1349,
igr2=2303,2304,2305,
&end
#
# 148 LYS H 151 LEU QD1 5.50
&rst
ixpk= 0, nxpk= 0, iat=2255, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=2322,2323,2324,
&end
#
# 151 LEU QD1 152 ARG H 5.06
&rst
ixpk= 0, nxpk= 0, iat= -1,2332, r1= 1.30, r2= 1.80, r3= 6.08, r4= 6.58,
igr1=2322,2323,2324,
&end
#
# 151 LEU H 151 LEU QD1 3.90
&rst
ixpk= 0, nxpk= 0, iat=2313, -1, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,
igr2=2322,2323,2324,
&end
#
# 151 LEU HB3 151 LEU QD1 2.72
&rst
ixpk= 0, nxpk= 0, iat=2318, -1, r1= 1.30, r2= 1.80, r3= 3.27, r4= 3.77,
igr2=2322,2323,2324,
&end
#
# 150 LEU HB3 150 LEU QD1 3.74
&rst
ixpk= 0, nxpk= 0, iat=2299, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2=2303,2304,2305,
&end
#
# 151 LEU HB2 151 LEU QD1 3.08
&rst
ixpk= 0, nxpk= 0, iat=2317, -1, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
igr2=2322,2323,2324,
&end
#
# 123 THR HA 132 ILE HA 4.05
&rst
ixpk= 0, nxpk= 0, iat=1867,2025, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55, &end
#
# 123 THR QG2 132 ILE HA 4.20
&rst
ixpk= 0, nxpk= 0, iat= -1,2025, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr1=1871,1872,1873,
&end
#
# 143 ARG HA 144 ASN HA 4.99
&rst
ixpk= 0, nxpk= 0, iat=2189,2213, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49, &end
#
# 140 LEU H 140 LEU QD1 4.28
&rst
ixpk= 0, nxpk= 0, iat=2136, -1, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
igr2=2145,2146,2147,
&end
#
# 140 LEU HA 140 LEU QD1 3.90
&rst
ixpk= 0, nxpk= 0, iat=2138, -1, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,
igr2=2145,2146,2147,
&end
#
# 140 LEU HB2 140 LEU QD1 3.33
&rst
ixpk= 0, nxpk= 0, iat=2140, -1, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
igr2=2145,2146,2147,
&end
#
# 140 LEU HB3 140 LEU QD1 3.33
&rst
ixpk= 0, nxpk= 0, iat=2141, -1, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
igr2=2145,2146,2147,
&end
#
# 95 LEU QD1 96 VAL H 4.81
&rst
ixpk= 0, nxpk= 0, iat= -1,1423, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28,
igr1=1413,1414,1415,
&end
#
# 95 LEU H 95 LEU QD1 4.32
&rst
ixpk= 0, nxpk= 0, iat=1404, -1, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,
igr2=1413,1414,1415,
&end
#
# 95 LEU QD1 98 GLN H 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1455, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1413,1414,1415,
&end
#
# 95 LEU QD1 154 HIS HA 3.87
&rst
ixpk= 0, nxpk= 0, iat= -1,2374, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,
igr1=1413,1414,1415,
&end
#
# 95 LEU HA 95 LEU QD1 4.09
&rst
ixpk= 0, nxpk= 0, iat=1406, -1, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,
igr2=1413,1414,1415,
&end
#
# 95 LEU QD1 96 VAL HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1425, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1413,1414,1415,
&end
#
# 95 LEU QD1 154 HIS HB3 5.29
&rst
ixpk= 0, nxpk= 0, iat= -1,2377, r1= 1.30, r2= 1.80, r3= 6.35, r4= 6.85,
igr1=1413,1414,1415,
&end
#
# 95 LEU QD1 154 HIS HB2 4.24
&rst
ixpk= 0, nxpk= 0, iat= -1,2376, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
igr1=1413,1414,1415,
&end
#
# 95 LEU QD1 99 LYS HE2 4.44
&rst
ixpk= 0, nxpk= 0, iat= -1,1485, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83,
igr1=1413,1414,1415,
&end
#
# 95 LEU QD1 99 LYS HE3 4.44
&rst
ixpk= 0, nxpk= 0, iat= -1,1486, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83,
igr1=1413,1414,1415,
&end
#
# 95 LEU HB3 95 LEU QD1 4.06
&rst
ixpk= 0, nxpk= 0, iat=1409, -1, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,
igr2=1413,1414,1415,
&end
#
# 147 ALA QB 148 LYS HA 4.49
&rst
ixpk= 0, nxpk= 0, iat= -1,2257, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1=2249,2250,2251,
&end
#
# 148 LYS HA 151 LEU HB2 4.72
&rst
ixpk= 0, nxpk= 0, iat=2257,2317, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, &end
#
# 148 LYS HA 148 LYS QD 3.24
&rst
ixpk= 0, nxpk= 0, iat=2257, -1, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14,
igr2=2265,2266,
&end
#
# 148 LYS HA 151 LEU QD1 3.77
&rst
ixpk= 0, nxpk= 0, iat=2257, -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
igr2=2322,2323,2324,
&end
#
# 148 LYS HA 151 LEU QD2 5.10
&rst
ixpk= 0, nxpk= 0, iat=2257, -1, r1= 1.30, r2= 1.80, r3= 6.12, r4= 6.62,
igr2=2326,2327,2328,
&end
#
# 150 LEU H 150 LEU QD2 4.34
&rst
ixpk= 0, nxpk= 0, iat=2294, -1, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71,
igr2=2307,2308,2309,
&end
#
# 92 LEU H 150 LEU QD2 3.67
&rst
ixpk= 0, nxpk= 0, iat=1353, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr2=2307,2308,2309,
&end
#
# 88 PRO HA 150 LEU QD2 4.30
&rst
ixpk= 0, nxpk= 0, iat=1316, -1, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
igr2=2307,2308,2309,
&end
#
# 150 LEU HA 150 LEU QD2 4.14
&rst
ixpk= 0, nxpk= 0, iat=2296, -1, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47,
igr2=2307,2308,2309,
&end
#
# 150 LEU HB2 150 LEU QD2 3.74
&rst
ixpk= 0, nxpk= 0, iat=2298, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2=2307,2308,2309,
&end
#
# 150 LEU HB3 150 LEU QD2 3.74
&rst
ixpk= 0, nxpk= 0, iat=2299, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2=2307,2308,2309,
&end
#
# 91 ALA QB 150 LEU QD2 3.08
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
igr1=1347,1348,1349,
igr2=2307,2308,2309,
&end
#
# 126 VAL HA 126 VAL QG1 3.51
&rst
ixpk= 0, nxpk= 0, iat=1916, -1, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72,
igr2=1920,1921,1922,
&end
#
# 96 VAL HB 126 VAL QG1 6.00
&rst
ixpk= 0, nxpk= 0, iat=1427, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2=1920,1921,1922,
&end
#
# 126 VAL HA 127 GLU HA 6.00
&rst
ixpk= 0, nxpk= 0, iat=1916,1932, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 96 VAL QG1 97 VAL H 4.01
&rst
ixpk= 0, nxpk= 0, iat= -1,1439, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32,
igr1=1429,1430,1431,
&end
#
# 96 VAL QG1 101 TRP HZ3 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1518, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1429,1430,1431,
&end
#
# 96 VAL QG1 103 LEU HA 4.89
&rst
ixpk= 0, nxpk= 0, iat= -1,1551, r1= 1.30, r2= 1.80, r3= 5.87, r4= 6.37,
igr1=1429,1430,1431,
&end
#
# 96 VAL HA 96 VAL QG1 3.66
&rst
ixpk= 0, nxpk= 0, iat=1425, -1, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,
igr2=1429,1430,1431,
&end
#
# 140 LEU HA 140 LEU QD2 3.90
&rst
ixpk= 0, nxpk= 0, iat=2138, -1, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,
igr2=2149,2150,2151,
&end
#
# 140 LEU HB2 140 LEU QD2 3.33
&rst
ixpk= 0, nxpk= 0, iat=2140, -1, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
igr2=2149,2150,2151,
&end
#
# 140 LEU HB3 140 LEU QD2 3.33
&rst
ixpk= 0, nxpk= 0, iat=2141, -1, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
igr2=2149,2150,2151,
&end
#
# 96 VAL H 96 VAL QG2 3.86
&rst
ixpk= 0, nxpk= 0, iat=1423, -1, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,
igr2=1433,1434,1435,
&end
#
# 96 VAL QG2 97 VAL H 4.01
&rst
ixpk= 0, nxpk= 0, iat= -1,1439, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32,
igr1=1433,1434,1435,
&end
#
# 96 VAL QG2 101 TRP HE3 4.29
&rst
ixpk= 0, nxpk= 0, iat= -1,1520, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,
igr1=1433,1434,1435,
&end
#
# 96 VAL QG2 101 TRP HZ3 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1518, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1433,1434,1435,
&end
#
# 96 VAL QG2 103 LEU HA 4.89
&rst
ixpk= 0, nxpk= 0, iat= -1,1551, r1= 1.30, r2= 1.80, r3= 5.87, r4= 6.37,
igr1=1433,1434,1435,
&end
#
# 96 VAL HA 96 VAL QG2 3.66
&rst
ixpk= 0, nxpk= 0, iat=1425, -1, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,
igr2=1433,1434,1435,
&end
#
# 92 LEU QD1 150 LEU H 4.98
&rst
ixpk= 0, nxpk= 0, iat= -1,2294, r1= 1.30, r2= 1.80, r3= 5.98, r4= 6.48,
igr1=1362,1363,1364,
&end
#
# 92 LEU H 92 LEU QD1 4.52
&rst
ixpk= 0, nxpk= 0, iat=1353, -1, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,
igr2=1362,1363,1364,
&end
#
# 92 LEU QD1 149 MET HB2 6.20
&rst
ixpk= 0, nxpk= 0, iat= -1,2281, r1= 1.30, r2= 1.80, r3= 7.45, r4= 7.95,
igr1=1362,1363,1364,
&end
#
# 109 THR QG2 123 THR H 4.71
&rst
ixpk= 0, nxpk= 0, iat= -1,1865, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
igr1=1654,1655,1656,
&end
#
# 109 THR QG2 110 GLN H 4.26
&rst
ixpk= 0, nxpk= 0, iat= -1,1662, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
igr1=1654,1655,1656,
&end
#
# 109 THR QG2 122 MET HA 4.92
&rst
ixpk= 0, nxpk= 0, iat= -1,1850, r1= 1.30, r2= 1.80, r3= 5.91, r4= 6.41,
igr1=1654,1655,1656,
&end
#
# 109 THR HA 109 THR QG2 3.29
&rst
ixpk= 0, nxpk= 0, iat=1650, -1, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45,
igr2=1654,1655,1656,
&end
#
# 89 VAL HA 89 VAL QG2 3.74
&rst
ixpk= 0, nxpk= 0, iat=1322, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2=1330,1331,1332,
&end
#
# 151 LEU QD2 152 ARG H 4.83
&rst
ixpk= 0, nxpk= 0, iat= -1,2332, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
igr1=2326,2327,2328,
&end
#
# 151 LEU H 151 LEU QD2 3.23
&rst
ixpk= 0, nxpk= 0, iat=2313, -1, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38,
igr2=2326,2327,2328,
&end
#
# 151 LEU HA 151 LEU QD2 2.60
&rst
ixpk= 0, nxpk= 0, iat=2315, -1, r1= 1.30, r2= 1.80, r3= 3.12, r4= 3.62,
igr2=2326,2327,2328,
&end
#
# 151 LEU HB3 151 LEU QD2 2.85
&rst
ixpk= 0, nxpk= 0, iat=2318, -1, r1= 1.30, r2= 1.80, r3= 3.42, r4= 3.92,
igr2=2326,2327,2328,
&end
#
# 89 VAL QG2 146 ALA QB 3.82
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01,
igr1=1330,1331,1332,
igr2=2239,2240,2241,
&end
#
# 126 VAL HA 126 VAL QG2 3.51
&rst
ixpk= 0, nxpk= 0, iat=1916, -1, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72,
igr2=1924,1925,1926,
&end
#
# 96 VAL HB 126 VAL QG2 6.00
&rst
ixpk= 0, nxpk= 0, iat=1427, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2=1924,1925,1926,
&end
#
# 108 VAL QG2 109 THR H 4.51
&rst
ixpk= 0, nxpk= 0, iat= -1,1648, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,
igr1=1642,1643,1644,
&end
#
# 108 VAL QG2 122 MET HA 4.47
&rst
ixpk= 0, nxpk= 0, iat= -1,1850, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,
igr1=1642,1643,1644,
&end
#
# 108 VAL QG2 109 THR HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1650, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1642,1643,1644,
&end
#
# 108 VAL QG2 122 MET QG 4.51
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.08, r4= 6.58,
igr1=1642,1643,1644,
igr2=1855,1856,
&end
#
# 136 THR HA 136 THR QG2 3.05
&rst
ixpk= 0, nxpk= 0, iat=2069, -1, r1= 1.30, r2= 1.80, r3= 3.66, r4= 4.16,
igr2=2073,2074,2075,
&end
#
# 119 GLU HA 136 THR QG2 4.00
&rst
ixpk= 0, nxpk= 0, iat=1801, -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr2=2073,2074,2075,
&end
#
# 119 GLU HG3 136 THR QG2 4.78
&rst
ixpk= 0, nxpk= 0, iat=1807, -1, r1= 1.30, r2= 1.80, r3= 5.74, r4= 6.24,
igr2=2073,2074,2075,
&end
#
# 119 GLU HG2 136 THR QG2 4.78
&rst
ixpk= 0, nxpk= 0, iat=1806, -1, r1= 1.30, r2= 1.80, r3= 5.74, r4= 6.24,
igr2=2073,2074,2075,
&end
#
# 136 THR QG2 140 LEU HG 4.70
&rst
ixpk= 0, nxpk= 0, iat= -1,2143, r1= 1.30, r2= 1.80, r3= 5.64, r4= 6.14,
igr1=2073,2074,2075,
&end
#
# 130 ILE H 153 VAL QG1 5.50
&rst
ixpk= 0, nxpk= 0, iat=1989, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=2362,2363,2364,
&end
#
# 106 TYR HA 124 CYS HA 4.22
&rst
ixpk= 0, nxpk= 0, iat=1599,1881, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72, &end
#
# 151 LEU HA 151 LEU QD1 3.90
&rst
ixpk= 0, nxpk= 0, iat=2315, -1, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,
igr2=2322,2323,2324,
&end
#
# 108 VAL H 108 VAL QG1 3.90
&rst
ixpk= 0, nxpk= 0, iat=1632, -1, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,
igr2=1638,1639,1640,
&end
#
# 108 VAL QG1 109 THR H 4.51
&rst
ixpk= 0, nxpk= 0, iat= -1,1648, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,
igr1=1638,1639,1640,
&end
#
# 108 VAL QG1 120 PHE QE 5.47
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.37, r4= 7.87,
igr1=1638,1639,1640,
igr2=1824,1828,
&end
#
# 108 VAL QG1 109 THR HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1650, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1638,1639,1640,
&end
#
# 108 VAL QG1 120 PHE HB3 5.02
&rst
ixpk= 0, nxpk= 0, iat= -1,1819, r1= 1.30, r2= 1.80, r3= 6.03, r4= 6.53,
igr1=1638,1639,1640,
&end
#
# 123 THR H 123 THR QG2 3.83
&rst
ixpk= 0, nxpk= 0, iat=1865, -1, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
igr2=1871,1872,1873,
&end
#
# 123 THR QG2 131 GLU H 4.16
&rst
ixpk= 0, nxpk= 0, iat= -1,2008, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
igr1=1871,1872,1873,
&end
#
# 121 THR QG2 122 MET HA 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1850, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1=1840,1841,1842,
&end
#
# 123 THR HA 123 THR QG2 3.25
&rst
ixpk= 0, nxpk= 0, iat=1867, -1, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40,
igr2=1871,1872,1873,
&end
#
# 123 THR QG2 132 ILE HG13 3.35
&rst
ixpk= 0, nxpk= 0, iat= -1,2034, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52,
igr1=1871,1872,1873,
&end
#
# 123 THR QG2 132 ILE HG12 2.69
&rst
ixpk= 0, nxpk= 0, iat= -1,2033, r1= 1.30, r2= 1.80, r3= 3.23, r4= 3.73,
igr1=1871,1872,1873,
&end
#
# 101 TRP HZ3 153 VAL QG1 3.67
&rst
ixpk= 0, nxpk= 0, iat=1518, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr2=2362,2363,2364,
&end
#
# 153 VAL QG1 154 HIS HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,2374, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=2362,2363,2364,
&end
#
# 153 VAL HA 153 VAL QG1 2.96
&rst
ixpk= 0, nxpk= 0, iat=2358, -1, r1= 1.30, r2= 1.80, r3= 3.55, r4= 4.05,
igr2=2362,2363,2364,
&end
#
# 150 LEU HA 153 VAL QG1 4.55
&rst
ixpk= 0, nxpk= 0, iat=2296, -1, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96,
igr2=2362,2363,2364,
&end
#
# 152 ARG QD 153 VAL QG1 4.60
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70,
igr1=2342,2343,
igr2=2362,2363,2364,
&end
#
# 152 ARG HB3 153 VAL QG1 3.95
&rst
ixpk= 0, nxpk= 0, iat=2337, -1, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,
igr2=2362,2363,2364,
&end
#
# 152 ARG HG2 153 VAL QG1 4.22
&rst
ixpk= 0, nxpk= 0, iat=2339, -1, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,
igr2=2362,2363,2364,
&end
#
# 152 ARG HG3 153 VAL QG1 3.75
&rst
ixpk= 0, nxpk= 0, iat=2340, -1, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,
igr2=2362,2363,2364,
&end
#
# 126 VAL QG2 153 VAL QG1 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.65, r4= 9.15,
igr1=1924,1925,1926,
igr2=2362,2363,2364,
&end
#
# 126 VAL QG1 153 VAL QG1 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.65, r4= 9.15,
igr1=1920,1921,1922,
igr2=2362,2363,2364,
&end
#
# 152 ARG HA 153 VAL QG2 5.08
&rst
ixpk= 0, nxpk= 0, iat=2334, -1, r1= 1.30, r2= 1.80, r3= 6.10, r4= 6.60,
igr2=2366,2367,2368,
&end
#
# 121 THR HA 121 THR QG2 3.19
&rst
ixpk= 0, nxpk= 0, iat=1836, -1, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33,
igr2=1840,1841,1842,
&end
#
# 134 SER HA 141 ALA HA 4.42
&rst
ixpk= 0, nxpk= 0, iat=2051,2157, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92, &end
#
# 121 THR QG2 134 SER HA 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,2051, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1=1840,1841,1842,
&end
#
# 124 CYS HA 124 CYS HG 4.57
&rst
ixpk= 0, nxpk= 0, iat=1881,1886, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07, &end
#
# 121 THR HA 134 SER HA 4.04
&rst
ixpk= 0, nxpk= 0, iat=1836,2051, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54, &end
#
# 129 PHE HA 130 ILE QD1 5.07
&rst
ixpk= 0, nxpk= 0, iat=1971, -1, r1= 1.30, r2= 1.80, r3= 6.09, r4= 6.59,
igr2=2002,2003,2004,
&end
#
# 148 LYS HA 149 MET HA 4.89
&rst
ixpk= 0, nxpk= 0, iat=2257,2279, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39, &end
#
# 99 LYS HA 99 LYS HG3 4.01
&rst
ixpk= 0, nxpk= 0, iat=1474,1480, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51, &end
#
# 99 LYS HA 99 LYS HG2 4.01
&rst
ixpk= 0, nxpk= 0, iat=1474,1479, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51, &end
#
# 89 VAL H 89 VAL QG1 4.20
&rst
ixpk= 0, nxpk= 0, iat=1320, -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr2=1326,1327,1328,
&end
#
# 89 VAL HA 89 VAL QG1 3.74
&rst
ixpk= 0, nxpk= 0, iat=1322, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2=1326,1327,1328,
&end
#
# 89 VAL QG1 146 ALA QB 3.82
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01,
igr1=1326,1327,1328,
igr2=2239,2240,2241,
&end
#
# 128 ARG HA 128 ARG QG 3.53
&rst
ixpk= 0, nxpk= 0, iat=1947, -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
igr2=1952,1953,
&end
#
# 141 ALA HA 144 ASN HB3 4.53
&rst
ixpk= 0, nxpk= 0, iat=2157,2216, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03, &end
#
# 145 ALA HA 148 LYS HG2 4.18
&rst
ixpk= 0, nxpk= 0, iat=2227,2262, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68, &end
#
# 152 ARG HG3 153 VAL QG2 4.64
&rst
ixpk= 0, nxpk= 0, iat=2340, -1, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07,
igr2=2366,2367,2368,
&end
#
# 150 LEU H 153 VAL QG2 4.09
&rst
ixpk= 0, nxpk= 0, iat=2294, -1, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,
igr2=2366,2367,2368,
&end
#
# 101 TRP HH2 153 VAL QG2 4.26
&rst
ixpk= 0, nxpk= 0, iat=1516, -1, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
igr2=2366,2367,2368,
&end
#
# 101 TRP HZ3 153 VAL QG2 3.91
&rst
ixpk= 0, nxpk= 0, iat=1518, -1, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,
igr2=2366,2367,2368,
&end
#
# 153 VAL QG2 154 HIS HA 4.13
&rst
ixpk= 0, nxpk= 0, iat= -1,2374, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,
igr1=2366,2367,2368,
&end
#
# 153 VAL HA 153 VAL QG2 3.25
&rst
ixpk= 0, nxpk= 0, iat=2358, -1, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40,
igr2=2366,2367,2368,
&end
#
# 150 LEU HA 153 VAL QG2 3.11
&rst
ixpk= 0, nxpk= 0, iat=2296, -1, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23,
igr2=2366,2367,2368,
&end
#
# 153 VAL QG2 154 HIS HB3 4.46
&rst
ixpk= 0, nxpk= 0, iat= -1,2377, r1= 1.30, r2= 1.80, r3= 5.36, r4= 5.86,
igr1=2366,2367,2368,
&end
#
# 111 GLU HA 120 PHE HA 4.46
&rst
ixpk= 0, nxpk= 0, iat=1681,1816, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96, &end
#
# 125 ARG HA 130 ILE QG2 4.49
&rst
ixpk= 0, nxpk= 0, iat=1892, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr2=1995,1996,1997,
&end
#
# 130 ILE QG2 131 GLU HA 4.21
&rst
ixpk= 0, nxpk= 0, iat= -1,2010, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,
igr1=1995,1996,1997,
&end
#
# 146 ALA QB 148 LYS H 4.99
&rst
ixpk= 0, nxpk= 0, iat= -1,2255, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr1=2239,2240,2241,
&end
#
# 143 ARG HA 146 ALA QB 3.90
&rst
ixpk= 0, nxpk= 0, iat=2189, -1, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,
igr2=2239,2240,2241,
&end
#
# 89 VAL HA 146 ALA QB 3.60
&rst
ixpk= 0, nxpk= 0, iat=1322, -1, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82,
igr2=2239,2240,2241,
&end
#
# 88 PRO HA 91 ALA QB 3.23
&rst
ixpk= 0, nxpk= 0, iat=1316, -1, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38,
igr2=1347,1348,1349,
&end
#
# 108 VAL HA 122 MET HA 4.04
&rst
ixpk= 0, nxpk= 0, iat=1634,1850, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54, &end
#
# 108 VAL QG1 122 MET HA 4.47
&rst
ixpk= 0, nxpk= 0, iat= -1,1850, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,
igr1=1638,1639,1640,
&end
#
# 114 PRO HA 115 ALA QB 4.56
&rst
ixpk= 0, nxpk= 0, iat=1722, -1, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98,
igr2=1730,1731,1732,
&end
#
# 101 TRP HA 102 ARG QG 4.31
&rst
ixpk= 0, nxpk= 0, iat=1503, -1, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,
igr2=1532,1533,
&end
#
# 124 CYS H 149 MET QE 5.32
&rst
ixpk= 0, nxpk= 0, iat=1879, -1, r1= 1.30, r2= 1.80, r3= 6.39, r4= 6.89,
igr2=2288,2289,2290,
&end
#
# 125 ARG HA 149 MET QE 3.81
&rst
ixpk= 0, nxpk= 0, iat=1892, -1, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
igr2=2288,2289,2290,
&end
#
# 130 ILE HA 149 MET QE 3.37
&rst
ixpk= 0, nxpk= 0, iat=1991, -1, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55,
igr2=2288,2289,2290,
&end
#
# 149 MET HA 149 MET QE 4.08
&rst
ixpk= 0, nxpk= 0, iat=2279, -1, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,
igr2=2288,2289,2290,
&end
#
# 126 VAL HA 149 MET QE 6.00
&rst
ixpk= 0, nxpk= 0, iat=1916, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2=2288,2289,2290,
&end
#
# 149 MET QE 153 VAL HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,2358, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=2288,2289,2290,
&end
#
# 129 PHE HB2 149 MET QE 3.64
&rst
ixpk= 0, nxpk= 0, iat=1973, -1, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87,
igr2=2288,2289,2290,
&end
#
# 129 PHE HB3 149 MET QE 3.71
&rst
ixpk= 0, nxpk= 0, iat=1974, -1, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96,
igr2=2288,2289,2290,
&end
#
# 126 VAL HB 149 MET QE 6.00
&rst
ixpk= 0, nxpk= 0, iat=1918, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2=2288,2289,2290,
&end
#
# 131 GLU HB2 149 MET QE 3.36
&rst
ixpk= 0, nxpk= 0, iat=2012, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr2=2288,2289,2290,
&end
#
# 149 MET QE 152 ARG HG3 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1,2340, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1=2288,2289,2290,
&end
#
# 126 VAL QG2 149 MET QE 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.65, r4= 9.15,
igr1=1924,1925,1926,
igr2=2288,2289,2290,
&end
#
# 126 VAL QG1 149 MET QE 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.65, r4= 9.15,
igr1=1920,1921,1922,
igr2=2288,2289,2290,
&end
#
# 130 ILE HG12 149 MET QE 4.37
&rst
ixpk= 0, nxpk= 0, iat=1999, -1, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75,
igr2=2288,2289,2290,
&end
#
# 149 MET QE 153 VAL QG1 3.25
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19,
igr1=2288,2289,2290,
igr2=2362,2363,2364,
&end
#
# 134 SER HA 141 ALA QB 3.75
&rst
ixpk= 0, nxpk= 0, iat=2051, -1, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,
igr2=2159,2160,2161,
&end
#
# 121 THR HA 141 ALA QB 4.02
&rst
ixpk= 0, nxpk= 0, iat=1836, -1, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
igr2=2159,2160,2161,
&end
#
# 138 LYS HA 141 ALA QB 4.01
&rst
ixpk= 0, nxpk= 0, iat=2094, -1, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32,
igr2=2159,2160,2161,
&end
#
# 120 PHE HB3 141 ALA QB 4.24
&rst
ixpk= 0, nxpk= 0, iat=1819, -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
igr2=2159,2160,2161,
&end
#
# 120 PHE HB2 141 ALA QB 4.13
&rst
ixpk= 0, nxpk= 0, iat=1818, -1, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,
igr2=2159,2160,2161,
&end
#
# 122 MET HB3 141 ALA QB 3.50
&rst
ixpk= 0, nxpk= 0, iat=1853, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2=2159,2160,2161,
&end
#
# 146 ALA H 147 ALA QB 4.47
&rst
ixpk= 0, nxpk= 0, iat=2235, -1, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,
igr2=2249,2250,2251,
&end
#
# 144 ASN HA 147 ALA QB 3.28
&rst
ixpk= 0, nxpk= 0, iat=2213, -1, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44,
igr2=2249,2250,2251,
&end
#
# 88 PRO HB3 147 ALA QB 3.87
&rst
ixpk= 0, nxpk= 0, iat=1314, -1, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,
igr2=2249,2250,2251,
&end
#
# 88 PRO HB2 147 ALA QB 3.87
&rst
ixpk= 0, nxpk= 0, iat=1313, -1, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,
igr2=2249,2250,2251,
&end
#
# 147 ALA QB 148 LYS QD 3.78
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
igr1=2249,2250,2251,
igr2=2265,2266,
&end
#
# 147 ALA QB 151 LEU QD2 4.80
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.92, r4= 7.42,
igr1=2249,2250,2251,
igr2=2326,2327,2328,
&end
#
# 134 SER H 145 ALA QB 4.51
&rst
ixpk= 0, nxpk= 0, iat=2049, -1, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,
igr2=2229,2230,2231,
&end
#
# 106 TYR QD 145 ALA QB 4.61
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.21, r4= 6.71,
igr1=1605,1614,
igr2=2229,2230,2231,
&end
#
# 132 ILE HA 145 ALA QB 3.96
&rst
ixpk= 0, nxpk= 0, iat=2025, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr2=2229,2230,2231,
&end
#
# 123 THR HA 145 ALA QB 4.33
&rst
ixpk= 0, nxpk= 0, iat=1867, -1, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,
igr2=2229,2230,2231,
&end
#
# 133 GLY HA3 145 ALA QB 4.26
&rst
ixpk= 0, nxpk= 0, iat=2045, -1, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
igr2=2229,2230,2231,
&end
#
# 144 ASN HB2 145 ALA QB 4.40
&rst
ixpk= 0, nxpk= 0, iat=2215, -1, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
igr2=2229,2230,2231,
&end
#
# 144 ASN HB3 145 ALA QB 4.40
&rst
ixpk= 0, nxpk= 0, iat=2216, -1, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
igr2=2229,2230,2231,
&end
#
# 132 ILE QG2 145 ALA QB 3.93
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=2029,2030,2031,
igr2=2229,2230,2231,
&end
#
# 122 MET H 132 ILE QG2 3.88
&rst
ixpk= 0, nxpk= 0, iat=1848, -1, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,
igr2=2029,2030,2031,
&end
#
# 132 ILE QG2 133 GLY H 3.13
&rst
ixpk= 0, nxpk= 0, iat= -1,2042, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26,
igr1=2029,2030,2031,
&end
#
# 132 ILE H 132 ILE QG2 4.15
&rst
ixpk= 0, nxpk= 0, iat=2023, -1, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48,
igr2=2029,2030,2031,
&end
#
# 132 ILE HA 132 ILE QG2 3.25
&rst
ixpk= 0, nxpk= 0, iat=2025, -1, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40,
igr2=2029,2030,2031,
&end
#
# 121 THR HB 132 ILE QG2 4.53
&rst
ixpk= 0, nxpk= 0, iat=1838, -1, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94,
igr2=2029,2030,2031,
&end
#
# 132 ILE QG2 132 ILE HG13 3.32
&rst
ixpk= 0, nxpk= 0, iat= -1,2034, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49,
igr1=2029,2030,2031,
&end
#
# 121 THR QG2 132 ILE QG2 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.65, r4= 9.15,
igr1=1840,1841,1842,
igr2=2029,2030,2031,
&end
#
# 132 ILE QG2 132 ILE HG12 2.81
&rst
ixpk= 0, nxpk= 0, iat= -1,2033, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1=2029,2030,2031,
&end
#
# 147 ALA H 147 ALA QB 2.98
&rst
ixpk= 0, nxpk= 0, iat=2245, -1, r1= 1.30, r2= 1.80, r3= 3.58, r4= 4.08,
igr2=2249,2250,2251,
&end
#
# 122 MET H 122 MET QE 4.69
&rst
ixpk= 0, nxpk= 0, iat=1848, -1, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13,
igr2=1859,1860,1861,
&end
#
# 122 MET QE 138 LYS H 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,2092, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1859,1860,1861,
&end
#
# 122 MET QE 123 THR H 4.75
&rst
ixpk= 0, nxpk= 0, iat= -1,1865, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,
igr1=1859,1860,1861,
&end
#
# 108 VAL H 122 MET QE 3.99
&rst
ixpk= 0, nxpk= 0, iat=1632, -1, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,
igr2=1859,1860,1861,
&end
#
# 122 MET QE 142 LYS H 3.69
&rst
ixpk= 0, nxpk= 0, iat= -1,2165, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93,
igr1=1859,1860,1861,
&end
#
# 122 MET QE 141 ALA H 5.01
&rst
ixpk= 0, nxpk= 0, iat= -1,2155, r1= 1.30, r2= 1.80, r3= 6.02, r4= 6.52,
igr1=1859,1860,1861,
&end
#
# 122 MET QE 143 ARG H 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,2187, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1859,1860,1861,
&end
#
# 106 TYR QD 122 MET QE 4.27
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26,
igr1=1605,1614,
igr2=1859,1860,1861,
&end
#
# 106 TYR HA 122 MET QE 5.10
&rst
ixpk= 0, nxpk= 0, iat=1599, -1, r1= 1.30, r2= 1.80, r3= 6.12, r4= 6.62,
igr2=1859,1860,1861,
&end
#
# 122 MET HA 122 MET QE 3.86
&rst
ixpk= 0, nxpk= 0, iat=1850, -1, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,
igr2=1859,1860,1861,
&end
#
# 122 MET QE 142 LYS HA 3.89
&rst
ixpk= 0, nxpk= 0, iat= -1,2167, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,
igr1=1859,1860,1861,
&end
#
# 122 MET QE 138 LYS HA 3.47
&rst
ixpk= 0, nxpk= 0, iat= -1,2094, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67,
igr1=1859,1860,1861,
&end
#
# 106 TYR HB3 122 MET QE 3.52
&rst
ixpk= 0, nxpk= 0, iat=1602, -1, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73,
igr2=1859,1860,1861,
&end
#
# 122 MET QG 122 MET QE 2.96
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49,
igr1=1855,1856,
igr2=1859,1860,1861,
&end
#
# 122 MET HB3 122 MET QE 3.25
&rst
ixpk= 0, nxpk= 0, iat=1853, -1, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40,
igr2=1859,1860,1861,
&end
#
# 122 MET QE 141 ALA QB 3.54
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61,
igr1=1859,1860,1861,
igr2=2159,2160,2161,
&end
#
# 108 VAL QG1 122 MET QE 3.70
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
igr1=1638,1639,1640,
igr2=1859,1860,1861,
&end
#
# 108 VAL QG2 122 MET QE 3.70
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
igr1=1642,1643,1644,
igr2=1859,1860,1861,
&end
#
# 122 MET QE 138 LYS HG2 4.29
&rst
ixpk= 0, nxpk= 0, iat= -1,2099, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,
igr1=1859,1860,1861,
&end
#
# 122 MET QE 138 LYS HG3 4.29
&rst
ixpk= 0, nxpk= 0, iat= -1,2100, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,
igr1=1859,1860,1861,
&end
#
# 124 CYS H 130 ILE QG2 4.01
&rst
ixpk= 0, nxpk= 0, iat=1879, -1, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32,
igr2=1995,1996,1997,
&end
#
# 126 VAL H 130 ILE QG2 6.00
&rst
ixpk= 0, nxpk= 0, iat=1914, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2=1995,1996,1997,
&end
#
# 130 ILE HA 130 ILE QG2 3.46
&rst
ixpk= 0, nxpk= 0, iat=1991, -1, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66,
igr2=1995,1996,1997,
&end
#
# 125 ARG QD 130 ILE QG2 4.88
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.58, r4= 7.08,
igr1=1900,1901,
igr2=1995,1996,1997,
&end
#
# 130 ILE QG2 149 MET QE 4.21
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1995,1996,1997,
igr2=2288,2289,2290,
&end
#
# 125 ARG HB2 130 ILE QG2 4.17
&rst
ixpk= 0, nxpk= 0, iat=1894, -1, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51,
igr2=1995,1996,1997,
&end
#
# 130 ILE QG2 130 ILE HG13 3.24
&rst
ixpk= 0, nxpk= 0, iat= -1,2000, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39,
igr1=1995,1996,1997,
&end
#
# 123 THR QG2 130 ILE QG2 2.81
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55,
igr1=1871,1872,1873,
igr2=1995,1996,1997,
&end
#
# 130 ILE QG2 130 ILE HG12 2.49
&rst
ixpk= 0, nxpk= 0, iat= -1,1999, r1= 1.30, r2= 1.80, r3= 2.99, r4= 3.49,
igr1=1995,1996,1997,
&end
#
# 132 ILE H 132 ILE QD1 4.55
&rst
ixpk= 0, nxpk= 0, iat=2023, -1, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96,
igr2=2036,2037,2038,
&end
#
# 132 ILE HA 132 ILE QD1 4.21
&rst
ixpk= 0, nxpk= 0, iat=2025, -1, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,
igr2=2036,2037,2038,
&end
#
# 130 ILE HA 130 ILE QD1 3.90
&rst
ixpk= 0, nxpk= 0, iat=1991, -1, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,
igr2=2002,2003,2004,
&end
#
# 130 ILE HB 130 ILE QD1 3.08
&rst
ixpk= 0, nxpk= 0, iat=1993, -1, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
igr2=2002,2003,2004,
&end
#
# 132 ILE HB 132 ILE QD1 3.29
&rst
ixpk= 0, nxpk= 0, iat=2027, -1, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45,
igr2=2036,2037,2038,
&end
#
# 125 ARG HG2 130 ILE QD1 3.73
&rst
ixpk= 0, nxpk= 0, iat=1897, -1, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98,
igr2=2002,2003,2004,
&end
#
# 125 ARG HG3 130 ILE QD1 3.73
&rst
ixpk= 0, nxpk= 0, iat=1898, -1, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98,
igr2=2002,2003,2004,
&end
#
# 123 THR QG2 132 ILE QD1 2.97
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78,
igr1=1871,1872,1873,
igr2=2036,2037,2038,
&end
#
# 130 ILE H 130 ILE QD1 4.44
&rst
ixpk= 0, nxpk= 0, iat=1989, -1, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83,
igr2=2002,2003,2004,
&end
#
# 126 VAL H 130 ILE QD1 6.00
&rst
ixpk= 0, nxpk= 0, iat=1914, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2=2002,2003,2004,
&end
#
# 125 ARG HA 130 ILE QD1 4.57
&rst
ixpk= 0, nxpk= 0, iat=1892, -1, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99,
igr2=2002,2003,2004,
&end
#
# 125 ARG QD 130 ILE QD1 3.82
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,
igr1=1900,1901,
igr2=2002,2003,2004,
&end
#
# 106 TYR QD 122 MET HB3 4.56
&rst
ixpk= 0, nxpk= 0, iat= -1,1853, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
igr1=1605,1614,
&end
#
# 119 GLU HA 120 PHE QE 4.62
&rst
ixpk= 0, nxpk= 0, iat=1801, -1, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,
igr2=1824,1828,
&end
#
# 120 PHE QE 137 SER HA 3.99
&rst
ixpk= 0, nxpk= 0, iat= -1,2083, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98,
igr1=1824,1828,
&end
#
# 120 PHE QE 138 LYS H 5.15
&rst
ixpk= 0, nxpk= 0, iat= -1,2092, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28,
igr1=1824,1828,
&end
#
# 108 VAL QG2 120 PHE QE 5.47
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.37, r4= 7.87,
igr1=1642,1643,1644,
igr2=1824,1828,
&end
#
# 129 PHE QD 130 ILE H 4.33
&rst
ixpk= 0, nxpk= 0, iat= -1,1989, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
igr1=1977,1985,
&end
#
# 129 PHE HA 129 PHE QD 3.53
&rst
ixpk= 0, nxpk= 0, iat=1971, -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
igr2=1977,1985,
&end
#
# 126 VAL QG2 129 PHE QD 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1=1924,1925,1926,
igr2=1977,1985,
&end
#
# 126 VAL QG1 129 PHE QD 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1=1920,1921,1922,
igr2=1977,1985,
&end
#
# 128 ARG HA 129 PHE QD 6.00
&rst
ixpk= 0, nxpk= 0, iat=1947, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1977,1985,
&end
#
# 111 GLU QB 120 PHE QD 4.12
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,
igr1=1683,1684,
igr2=1822,1830,
&end
#
# 120 PHE QD 137 SER HA 3.94
&rst
ixpk= 0, nxpk= 0, iat= -1,2083, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92,
igr1=1822,1830,
&end
#
# 129 PHE QE 152 ARG QD 4.05
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
igr1=1979,1983,
igr2=2342,2343,
&end
#
# 129 PHE HA 129 PHE QE 4.84
&rst
ixpk= 0, nxpk= 0, iat=1971, -1, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,
igr2=1979,1983,
&end
#
# 129 PHE QE 153 VAL QG1 3.73
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,
igr1=1979,1983,
igr2=2362,2363,2364,
&end
#
# 101 TRP HZ3 129 PHE QE 4.38
&rst
ixpk= 0, nxpk= 0, iat=1518, -1, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,
igr2=1979,1983,
&end
#
# 101 TRP HZ3 129 PHE QD 4.47
&rst
ixpk= 0, nxpk= 0, iat=1518, -1, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52,
igr2=1977,1985,
&end
#
# 129 PHE QD 152 ARG QD 3.98
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51,
igr1=1977,1985,
igr2=2342,2343,
&end
#
# 129 PHE QD 152 ARG HG3 4.20
&rst
ixpk= 0, nxpk= 0, iat= -1,2340, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
igr1=1977,1985,
&end
#
# 129 PHE QD 153 VAL QG1 3.45
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,
igr1=1977,1985,
igr2=2362,2363,2364,
&end
#
# 129 PHE QD 149 MET QE 4.02
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,
igr1=1977,1985,
igr2=2288,2289,2290,
&end
#
# 120 PHE HA 120 PHE QD 3.90
&rst
ixpk= 0, nxpk= 0, iat=1816, -1, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,
igr2=1822,1830,
&end
#
# 119 GLU HA 120 PHE QD 3.81
&rst
ixpk= 0, nxpk= 0, iat=1801, -1, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78,
igr2=1822,1830,
&end
#
# 120 PHE QD 138 LYS HA 4.55
&rst
ixpk= 0, nxpk= 0, iat= -1,2094, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61,
igr1=1822,1830,
&end
#
# 120 PHE QD 122 MET QE 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1822,1830,
igr2=1859,1860,1861,
&end
#
# 120 PHE QD 141 ALA QB 4.39
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.92, r4= 6.42,
igr1=1822,1830,
igr2=2159,2160,2161,
&end
#
# 108 VAL QG2 120 PHE QD 4.25
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.73, r4= 6.23,
igr1=1642,1643,1644,
igr2=1822,1830,
&end
#
# 120 PHE QD 121 THR H 4.23
&rst
ixpk= 0, nxpk= 0, iat= -1,1834, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25,
igr1=1822,1830,
&end
#
# 120 PHE QD 136 THR HA 4.36
&rst
ixpk= 0, nxpk= 0, iat= -1,2069, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39,
igr1=1822,1830,
&end
#
# 108 VAL QG1 120 PHE QD 4.25
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.73, r4= 6.23,
igr1=1638,1639,1640,
igr2=1822,1830,
&end
#
# 120 PHE QD 120 PHE HZ 4.09
&rst
ixpk= 0, nxpk= 0, iat= -1,1826, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09,
igr1=1822,1830,
&end
#
# 101 TRP H 101 TRP HD1 3.33
&rst
ixpk= 0, nxpk= 0, iat=1501,1509, r1= 1.30, r2= 1.80, r3= 3.33, r4= 3.83, &end
#
# 101 TRP HA 101 TRP HD1 2.75
&rst
ixpk= 0, nxpk= 0, iat=1503,1509, r1= 1.30, r2= 1.80, r3= 2.75, r4= 3.25, &end
#
# 101 TRP HB3 101 TRP HD1 3.66
&rst
ixpk= 0, nxpk= 0, iat=1506,1509, r1= 1.30, r2= 1.80, r3= 3.66, r4= 4.16, &end
#
# 99 LYS HE2 101 TRP HH2 4.26
&rst
ixpk= 0, nxpk= 0, iat=1485,1516, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76, &end
#
# 99 LYS HE3 101 TRP HH2 4.26
&rst
ixpk= 0, nxpk= 0, iat=1486,1516, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76, &end
#
# 101 TRP HH2 153 VAL QG1 3.50
&rst
ixpk= 0, nxpk= 0, iat=1516, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2=2362,2363,2364,
&end
#
# 101 TRP HH2 153 VAL HA 4.33
&rst
ixpk= 0, nxpk= 0, iat=1516,2358, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83, &end
#
# 101 TRP HH2 153 VAL HB 3.82
&rst
ixpk= 0, nxpk= 0, iat=1516,2360, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32, &end
#
# 150 LEU HA 154 HIS HD2 5.43
&rst
ixpk= 0, nxpk= 0, iat=2296,2385, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93, &end
#
# 101 TRP HZ3 153 VAL HB 4.34
&rst
ixpk= 0, nxpk= 0, iat=1518,2360, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84, &end
#
# 101 TRP HE3 153 VAL QG1 4.52
&rst
ixpk= 0, nxpk= 0, iat=1520, -1, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,
igr2=2362,2363,2364,
&end
#
# 96 VAL HA 101 TRP HE3 4.52
&rst
ixpk= 0, nxpk= 0, iat=1425,1520, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02, &end
#
# 154 HIS HA 154 HIS HD2 4.06
&rst
ixpk= 0, nxpk= 0, iat=2374,2385, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56, &end
#
# 154 HIS HB3 154 HIS HD2 3.87
&rst
ixpk= 0, nxpk= 0, iat=2377,2385, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37, &end
#
# 154 HIS HB2 154 HIS HD2 3.25
&rst
ixpk= 0, nxpk= 0, iat=2376,2385, r1= 1.30, r2= 1.80, r3= 3.25, r4= 3.75, &end
#
# 153 VAL QG2 154 HIS HD2 4.34
&rst
ixpk= 0, nxpk= 0, iat= -1,2385, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71,
igr1=2366,2367,2368,
&end
#
# 95 LEU QD1 154 HIS HD2 3.80
&rst
ixpk= 0, nxpk= 0, iat= -1,2385, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06,
igr1=1413,1414,1415,
&end
#
# 95 LEU QD2 154 HIS HD2 3.80
&rst
ixpk= 0, nxpk= 0, iat= -1,2385, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06,
igr1=1417,1418,1419,
&end
#
# 96 VAL QG1 101 TRP HE3 4.29
&rst
ixpk= 0, nxpk= 0, iat= -1,1520, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,
igr1=1429,1430,1431,
&end
#
# 101 TRP HE3 102 ARG H 5.50
&rst
ixpk= 0, nxpk= 0, iat=1520,1525, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 106 TYR QE 146 ALA HA 4.34
&rst
ixpk= 0, nxpk= 0, iat= -1,2237, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37,
igr1=1607,1612,
&end
#
# 106 TYR QE 146 ALA QB 3.41
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
igr1=1607,1612,
igr2=2239,2240,2241,
&end
#
# 106 TYR QE 124 CYS HB2 4.52
&rst
ixpk= 0, nxpk= 0, iat= -1,1883, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,
igr1=1607,1612,
&end
#
# 106 TYR QE 122 MET QG 4.61
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31,
igr1=1607,1612,
igr2=1855,1856,
&end
#
# 116 HIS HD2 117 ARG H 4.25
&rst
ixpk= 0, nxpk= 0, iat=1749,1753, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75, &end
#
# 116 HIS HD2 117 ARG HB3 3.76
&rst
ixpk= 0, nxpk= 0, iat=1749,1758, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26, &end
#
# 116 HIS HD2 117 ARG HA 4.05
&rst
ixpk= 0, nxpk= 0, iat=1749,1755, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55, &end
#
# 105 GLU H 106 TYR QE 5.13
&rst
ixpk= 0, nxpk= 0, iat=1582, -1, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26,
igr2=1607,1612,
&end
#
# 106 TYR QE 145 ALA QB 3.54
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,
igr1=1607,1612,
igr2=2229,2230,2231,
&end
#
# 106 TYR QE 124 CYS HG 3.59
&rst
ixpk= 0, nxpk= 0, iat= -1,1886, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53,
igr1=1607,1612,
&end
#
# 106 TYR QE 124 CYS HB3 4.52
&rst
ixpk= 0, nxpk= 0, iat= -1,1884, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,
igr1=1607,1612,
&end
#
# 116 HIS HD2 117 ARG QD 3.82
&rst
ixpk= 0, nxpk= 0, iat=1749, -1, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79,
igr2=1763,1764,
&end
#
# 116 HIS HD2 117 ARG HB2 3.76
&rst
ixpk= 0, nxpk= 0, iat=1749,1757, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26, &end
#
# 116 HIS HD2 117 ARG QG 4.27
&rst
ixpk= 0, nxpk= 0, iat=1749, -1, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,
igr2=1760,1761,
&end
#
# 116 HIS H 116 HIS HE1 4.78
&rst
ixpk= 0, nxpk= 0, iat=1736,1745, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28, &end
#
# 114 PRO QB 116 HIS HE1 3.49
&rst
ixpk= 0, nxpk= 0, iat= -1,1745, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42,
igr1=1719,1720,
&end
#
# 99 LYS HE3 101 TRP HZ2 4.32
&rst
ixpk= 0, nxpk= 0, iat=1486,1514, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82, &end
#
# 99 LYS HE2 101 TRP HZ2 4.32
&rst
ixpk= 0, nxpk= 0, iat=1485,1514, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82, &end
#
# 125 ARG H 125 ARG QD 5.21
&rst
ixpk= 0, nxpk= 0, iat=1890, -1, r1= 1.30, r2= 1.80, r3= 5.85, r4= 6.35,
igr2=1900,1901,
&end
#
# 104 PRO QB 125 ARG H 4.59
&rst
ixpk= 0, nxpk= 0, iat= -1,1890, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,
igr1=1575,1576,
&end
#
# 124 CYS H 125 ARG H 4.48
&rst
ixpk= 0, nxpk= 0, iat=1879,1890, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98, &end
#
# 106 TYR H 125 ARG H 5.43
&rst
ixpk= 0, nxpk= 0, iat=1597,1890, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93, &end
#
# 105 GLU H 125 ARG H 3.69
&rst
ixpk= 0, nxpk= 0, iat=1582,1890, r1= 1.30, r2= 1.80, r3= 3.69, r4= 4.19, &end
#
# 125 ARG H 126 VAL H 4.70
&rst
ixpk= 0, nxpk= 0, iat=1890,1914, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, &end
#
# 106 TYR QD 125 ARG H 5.41
&rst
ixpk= 0, nxpk= 0, iat= -1,1890, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1605,1614,
&end
#
# 106 TYR QE 125 ARG H 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1890, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1607,1612,
&end
#
# 106 TYR HA 125 ARG H 4.59
&rst
ixpk= 0, nxpk= 0, iat=1599,1890, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09, &end
#
# 125 ARG H 130 ILE HA 5.45
&rst
ixpk= 0, nxpk= 0, iat=1890,1991, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95, &end
#
# 124 CYS HA 125 ARG H 3.07
&rst
ixpk= 0, nxpk= 0, iat=1881,1890, r1= 1.30, r2= 1.80, r3= 3.07, r4= 3.57, &end
#
# 104 PRO HA 125 ARG H 4.37
&rst
ixpk= 0, nxpk= 0, iat=1578,1890, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87, &end
#
# 124 CYS HB2 125 ARG H 4.38
&rst
ixpk= 0, nxpk= 0, iat=1883,1890, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88, &end
#
# 124 CYS HB3 125 ARG H 4.38
&rst
ixpk= 0, nxpk= 0, iat=1884,1890, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88, &end
#
# 125 ARG H 125 ARG HB2 3.49
&rst
ixpk= 0, nxpk= 0, iat=1890,1894, r1= 1.30, r2= 1.80, r3= 3.49, r4= 3.99, &end
#
# 125 ARG H 125 ARG HB3 3.33
&rst
ixpk= 0, nxpk= 0, iat=1890,1895, r1= 1.30, r2= 1.80, r3= 3.33, r4= 3.83, &end
#
# 123 THR QG2 125 ARG H 4.53
&rst
ixpk= 0, nxpk= 0, iat= -1,1890, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94,
igr1=1871,1872,1873,
&end
#
# 124 CYS HG 125 ARG H 3.82
&rst
ixpk= 0, nxpk= 0, iat=1886,1890, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32, &end
#
# 108 VAL H 108 VAL HB 3.28
&rst
ixpk= 0, nxpk= 0, iat=1632,1636, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78, &end
#
# 108 VAL H 108 VAL QG2 3.90
&rst
ixpk= 0, nxpk= 0, iat=1632, -1, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,
igr2=1642,1643,1644,
&end
#
# 108 VAL H 109 THR H 4.92
&rst
ixpk= 0, nxpk= 0, iat=1632,1648, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42, &end
#
# 100 GLY H 101 TRP HE1 5.50
&rst
ixpk= 0, nxpk= 0, iat=1494,1511, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 99 LYS HA 101 TRP HE1 5.29
&rst
ixpk= 0, nxpk= 0, iat=1474,1511, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79, &end
#
# 101 TRP HB3 101 TRP HE1 5.13
&rst
ixpk= 0, nxpk= 0, iat=1506,1511, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63, &end
#
# 99 LYS HE2 101 TRP HE1 5.50
&rst
ixpk= 0, nxpk= 0, iat=1485,1511, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 99 LYS HE3 101 TRP HE1 5.50
&rst
ixpk= 0, nxpk= 0, iat=1486,1511, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 99 LYS HB2 101 TRP HE1 4.01
&rst
ixpk= 0, nxpk= 0, iat=1476,1511, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51, &end
#
# 99 LYS HB3 101 TRP HE1 4.01
&rst
ixpk= 0, nxpk= 0, iat=1477,1511, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51, &end
#
# 117 ARG H 118 LYS H 3.88
&rst
ixpk= 0, nxpk= 0, iat=1753,1777, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38, &end
#
# 115 ALA HA 117 ARG H 4.23
&rst
ixpk= 0, nxpk= 0, iat=1728,1753, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73, &end
#
# 114 PRO HD2 117 ARG H 5.16
&rst
ixpk= 0, nxpk= 0, iat=1713,1753, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66, &end
#
# 117 ARG H 117 ARG QD 4.94
&rst
ixpk= 0, nxpk= 0, iat=1753, -1, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,
igr2=1763,1764,
&end
#
# 114 PRO QB 117 ARG H 4.43
&rst
ixpk= 0, nxpk= 0, iat= -1,1753, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47,
igr1=1719,1720,
&end
#
# 117 ARG H 118 LYS HA 4.62
&rst
ixpk= 0, nxpk= 0, iat=1753,1779, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12, &end
#
# 106 TYR H 107 THR H 4.54
&rst
ixpk= 0, nxpk= 0, iat=1597,1618, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04, &end
#
# 106 TYR H 106 TYR QD 3.56
&rst
ixpk= 0, nxpk= 0, iat=1597, -1, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
igr2=1605,1614,
&end
#
# 106 TYR H 106 TYR QE 5.22
&rst
ixpk= 0, nxpk= 0, iat=1597, -1, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36,
igr2=1607,1612,
&end
#
# 105 GLU HA 106 TYR H 2.79
&rst
ixpk= 0, nxpk= 0, iat=1584,1597, r1= 1.30, r2= 1.80, r3= 2.79, r4= 3.29, &end
#
# 106 TYR H 106 TYR HB3 3.78
&rst
ixpk= 0, nxpk= 0, iat=1597,1602, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28, &end
#
# 106 TYR H 106 TYR HB2 3.40
&rst
ixpk= 0, nxpk= 0, iat=1597,1601, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90, &end
#
# 105 GLU HG2 106 TYR H 4.20
&rst
ixpk= 0, nxpk= 0, iat=1589,1597, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 105 GLU HG3 106 TYR H 4.20
&rst
ixpk= 0, nxpk= 0, iat=1590,1597, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 105 GLU HB3 106 TYR H 4.60
&rst
ixpk= 0, nxpk= 0, iat=1587,1597, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, &end
#
# 105 GLU H 106 TYR H 4.53
&rst
ixpk= 0, nxpk= 0, iat=1582,1597, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03, &end
#
# 126 VAL H 127 GLU H 4.45
&rst
ixpk= 0, nxpk= 0, iat=1914,1930, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95, &end
#
# 126 VAL H 129 PHE QD 5.50
&rst
ixpk= 0, nxpk= 0, iat=1914, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1977,1985,
&end
#
# 126 VAL H 130 ILE HA 3.77
&rst
ixpk= 0, nxpk= 0, iat=1914,1991, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27, &end
#
# 125 ARG QD 126 VAL H 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1914, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1900,1901,
&end
#
# 126 VAL H 126 VAL HB 3.91
&rst
ixpk= 0, nxpk= 0, iat=1914,1918, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41, &end
#
# 125 ARG HB3 126 VAL H 6.00
&rst
ixpk= 0, nxpk= 0, iat=1895,1914, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 125 ARG HG2 126 VAL H 6.00
&rst
ixpk= 0, nxpk= 0, iat=1897,1914, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 125 ARG HG3 126 VAL H 6.00
&rst
ixpk= 0, nxpk= 0, iat=1898,1914, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 126 VAL H 126 VAL QG1 3.87
&rst
ixpk= 0, nxpk= 0, iat=1914, -1, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,
igr2=1920,1921,1922,
&end
#
# 115 ALA H 117 ARG H 4.30
&rst
ixpk= 0, nxpk= 0, iat=1726,1753, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 126 VAL H 129 PHE H 4.00
&rst
ixpk= 0, nxpk= 0, iat=1914,1969, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 125 ARG HA 126 VAL H 3.08
&rst
ixpk= 0, nxpk= 0, iat=1892,1914, r1= 1.30, r2= 1.80, r3= 3.08, r4= 3.58, &end
#
# 126 VAL H 129 PHE HB2 4.42
&rst
ixpk= 0, nxpk= 0, iat=1914,1973, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92, &end
#
# 126 VAL H 129 PHE HB3 6.00
&rst
ixpk= 0, nxpk= 0, iat=1914,1974, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 126 VAL H 149 MET QE 3.42
&rst
ixpk= 0, nxpk= 0, iat=1914, -1, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,
igr2=2288,2289,2290,
&end
#
# 126 VAL H 126 VAL QG2 3.87
&rst
ixpk= 0, nxpk= 0, iat=1914, -1, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,
igr2=1924,1925,1926,
&end
#
# 126 VAL H 130 ILE HG12 4.46
&rst
ixpk= 0, nxpk= 0, iat=1914,1999, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96, &end
#
# 122 MET H 123 THR H 4.61
&rst
ixpk= 0, nxpk= 0, iat=1848,1865, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11, &end
#
# 121 THR HB 122 MET H 4.16
&rst
ixpk= 0, nxpk= 0, iat=1838,1848, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66, &end
#
# 122 MET H 141 ALA HA 4.94
&rst
ixpk= 0, nxpk= 0, iat=1848,2157, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44, &end
#
# 122 MET H 122 MET HB2 3.73
&rst
ixpk= 0, nxpk= 0, iat=1848,1852, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23, &end
#
# 122 MET H 141 ALA QB 3.55
&rst
ixpk= 0, nxpk= 0, iat=1848, -1, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76,
igr2=2159,2160,2161,
&end
#
# 122 MET H 145 ALA QB 4.42
&rst
ixpk= 0, nxpk= 0, iat=1848, -1, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,
igr2=2229,2230,2231,
&end
#
# 122 MET H 134 SER H 4.84
&rst
ixpk= 0, nxpk= 0, iat=1848,2049, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34, &end
#
# 122 MET H 135 GLY H 5.13
&rst
ixpk= 0, nxpk= 0, iat=1848,2060, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63, &end
#
# 122 MET H 134 SER HA 3.67
&rst
ixpk= 0, nxpk= 0, iat=1848,2051, r1= 1.30, r2= 1.80, r3= 3.67, r4= 4.17, &end
#
# 121 THR HA 122 MET H 3.01
&rst
ixpk= 0, nxpk= 0, iat=1836,1848, r1= 1.30, r2= 1.80, r3= 3.01, r4= 3.51, &end
#
# 122 MET H 123 THR HA 5.05
&rst
ixpk= 0, nxpk= 0, iat=1848,1867, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, &end
#
# 122 MET H 122 MET QG 4.29
&rst
ixpk= 0, nxpk= 0, iat=1848, -1, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32,
igr2=1855,1856,
&end
#
# 122 MET H 122 MET HB3 3.66
&rst
ixpk= 0, nxpk= 0, iat=1848,1853, r1= 1.30, r2= 1.80, r3= 3.66, r4= 4.16, &end
#
# 121 THR QG2 122 MET H 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1848, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1=1840,1841,1842,
&end
#
# 106 TYR QE 124 CYS H 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1879, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1607,1612,
&end
#
# 124 CYS H 132 ILE HG12 4.53
&rst
ixpk= 0, nxpk= 0, iat=1879,2033, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03, &end
#
# 124 CYS H 132 ILE HA 3.78
&rst
ixpk= 0, nxpk= 0, iat=1879,2025, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28, &end
#
# 123 THR HA 124 CYS H 3.08
&rst
ixpk= 0, nxpk= 0, iat=1867,1879, r1= 1.30, r2= 1.80, r3= 3.08, r4= 3.58, &end
#
# 124 CYS H 124 CYS HB2 3.92
&rst
ixpk= 0, nxpk= 0, iat=1879,1883, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42, &end
#
# 124 CYS H 124 CYS HB3 3.92
&rst
ixpk= 0, nxpk= 0, iat=1879,1884, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42, &end
#
# 124 CYS H 125 ARG HB2 5.50
&rst
ixpk= 0, nxpk= 0, iat=1879,1894, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 124 CYS H 145 ALA QB 3.82
&rst
ixpk= 0, nxpk= 0, iat=1879, -1, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09,
igr2=2229,2230,2231,
&end
#
# 123 THR QG2 124 CYS H 3.31
&rst
ixpk= 0, nxpk= 0, iat= -1,1879, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48,
igr1=1871,1872,1873,
&end
#
# 124 CYS H 131 GLU H 3.88
&rst
ixpk= 0, nxpk= 0, iat=1879,2008, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38, &end
#
# 125 ARG HA 131 GLU H 4.05
&rst
ixpk= 0, nxpk= 0, iat=1892,2008, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55, &end
#
# 130 ILE HA 131 GLU H 2.95
&rst
ixpk= 0, nxpk= 0, iat=1991,2008, r1= 1.30, r2= 1.80, r3= 2.95, r4= 3.45, &end
#
# 131 GLU H 131 GLU HB3 4.03
&rst
ixpk= 0, nxpk= 0, iat=2008,2013, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53, &end
#
# 131 GLU H 149 MET QE 3.33
&rst
ixpk= 0, nxpk= 0, iat=2008, -1, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
igr2=2288,2289,2290,
&end
#
# 130 ILE HB 131 GLU H 4.16
&rst
ixpk= 0, nxpk= 0, iat=1993,2008, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66, &end
#
# 131 GLU H 131 GLU HB2 3.83
&rst
ixpk= 0, nxpk= 0, iat=2008,2012, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33, &end
#
# 130 ILE HG13 131 GLU H 5.36
&rst
ixpk= 0, nxpk= 0, iat=2000,2008, r1= 1.30, r2= 1.80, r3= 5.36, r4= 5.86, &end
#
# 130 ILE HG12 131 GLU H 4.84
&rst
ixpk= 0, nxpk= 0, iat=1999,2008, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34, &end
#
# 130 ILE QG2 131 GLU H 3.19
&rst
ixpk= 0, nxpk= 0, iat= -1,2008, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33,
igr1=1995,1996,1997,
&end
#
# 126 VAL H 131 GLU H 5.33
&rst
ixpk= 0, nxpk= 0, iat=1914,2008, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83, &end
#
# 124 CYS H 131 GLU HB3 4.91
&rst
ixpk= 0, nxpk= 0, iat=1879,2013, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41, &end
#
# 118 LYS H 119 GLU H 4.93
&rst
ixpk= 0, nxpk= 0, iat=1777,1799, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43, &end
#
# 117 ARG QG 118 LYS H 5.02
&rst
ixpk= 0, nxpk= 0, iat= -1,1777, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13,
igr1=1760,1761,
&end
#
# 127 GLU H 129 PHE H 4.67
&rst
ixpk= 0, nxpk= 0, iat=1930,1969, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17, &end
#
# 127 GLU H 128 ARG H 4.81
&rst
ixpk= 0, nxpk= 0, iat=1930,1945, r1= 1.30, r2= 1.80, r3= 4.81, r4= 5.31, &end
#
# 104 PRO HA 127 GLU H 6.00
&rst
ixpk= 0, nxpk= 0, iat=1578,1930, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 126 VAL HA 127 GLU H 2.97
&rst
ixpk= 0, nxpk= 0, iat=1916,1930, r1= 1.30, r2= 1.80, r3= 2.97, r4= 3.47, &end
#
# 127 GLU H 127 GLU HA 2.86
&rst
ixpk= 0, nxpk= 0, iat=1930,1932, r1= 1.30, r2= 1.80, r3= 2.86, r4= 3.36, &end
#
# 126 VAL HB 127 GLU H 4.50
&rst
ixpk= 0, nxpk= 0, iat=1918,1930, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 126 VAL QG2 127 GLU H 3.85
&rst
ixpk= 0, nxpk= 0, iat= -1,1930, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
igr1=1924,1925,1926,
&end
#
# 126 VAL QG1 127 GLU H 3.85
&rst
ixpk= 0, nxpk= 0, iat= -1,1930, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
igr1=1920,1921,1922,
&end
#
# 138 LYS H 138 LYS HB2 4.03
&rst
ixpk= 0, nxpk= 0, iat=2092,2096, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53, &end
#
# 138 LYS H 138 LYS HG3 4.68
&rst
ixpk= 0, nxpk= 0, iat=2092,2100, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18, &end
#
# 137 SER HB3 138 LYS H 4.43
&rst
ixpk= 0, nxpk= 0, iat=2086,2092, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93, &end
#
# 138 LYS H 138 LYS HB3 4.03
&rst
ixpk= 0, nxpk= 0, iat=2092,2097, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53, &end
#
# 138 LYS H 138 LYS HG2 4.68
&rst
ixpk= 0, nxpk= 0, iat=2092,2099, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18, &end
#
# 127 GLU H 129 PHE HB2 5.21
&rst
ixpk= 0, nxpk= 0, iat=1930,1973, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71, &end
#
# 120 PHE QD 138 LYS H 4.78
&rst
ixpk= 0, nxpk= 0, iat= -1,2092, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,
igr1=1822,1830,
&end
#
# 137 SER HB2 138 LYS H 4.43
&rst
ixpk= 0, nxpk= 0, iat=2085,2092, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93, &end
#
# 142 LYS HA 145 ALA H 4.27
&rst
ixpk= 0, nxpk= 0, iat=2167,2225, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77, &end
#
# 133 GLY H 145 ALA H 4.54
&rst
ixpk= 0, nxpk= 0, iat=2042,2225, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04, &end
#
# 145 ALA H 146 ALA H 3.39
&rst
ixpk= 0, nxpk= 0, iat=2225,2235, r1= 1.30, r2= 1.80, r3= 3.39, r4= 3.89, &end
#
# 144 ASN H 145 ALA H 3.49
&rst
ixpk= 0, nxpk= 0, iat=2211,2225, r1= 1.30, r2= 1.80, r3= 3.49, r4= 3.99, &end
#
# 133 GLY HA3 145 ALA H 3.80
&rst
ixpk= 0, nxpk= 0, iat=2045,2225, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end
#
# 145 ALA H 146 ALA HA 5.50
&rst
ixpk= 0, nxpk= 0, iat=2225,2237, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 133 GLY HA2 145 ALA H 4.43
&rst
ixpk= 0, nxpk= 0, iat=2044,2225, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93, &end
#
# 144 ASN HB2 145 ALA H 3.60
&rst
ixpk= 0, nxpk= 0, iat=2215,2225, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10, &end
#
# 144 ASN HB3 145 ALA H 3.61
&rst
ixpk= 0, nxpk= 0, iat=2216,2225, r1= 1.30, r2= 1.80, r3= 3.61, r4= 4.11, &end
#
# 145 ALA H 148 LYS HG2 4.97
&rst
ixpk= 0, nxpk= 0, iat=2225,2262, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47, &end
#
# 145 ALA H 146 ALA QB 4.56
&rst
ixpk= 0, nxpk= 0, iat=2225, -1, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98,
igr2=2239,2240,2241,
&end
#
# 145 ALA H 145 ALA QB 2.91
&rst
ixpk= 0, nxpk= 0, iat=2225, -1, r1= 1.30, r2= 1.80, r3= 3.49, r4= 3.99,
igr2=2229,2230,2231,
&end
#
# 141 ALA QB 145 ALA H 4.70
&rst
ixpk= 0, nxpk= 0, iat= -1,2225, r1= 1.30, r2= 1.80, r3= 5.64, r4= 6.14,
igr1=2159,2160,2161,
&end
#
# 106 TYR QE 145 ALA H 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,2225, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1607,1612,
&end
#
# 111 GLU H 121 THR H 5.01
&rst
ixpk= 0, nxpk= 0, iat=1679,1834, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51, &end
#
# 111 GLU H 112 SER H 4.40
&rst
ixpk= 0, nxpk= 0, iat=1679,1694, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90, &end
#
# 110 GLN HA 111 GLU H 2.61
&rst
ixpk= 0, nxpk= 0, iat=1664,1679, r1= 1.30, r2= 1.80, r3= 2.61, r4= 3.11, &end
#
# 111 GLU H 121 THR HB 5.50
&rst
ixpk= 0, nxpk= 0, iat=1679,1838, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 110 GLN QG 111 GLU H 3.01
&rst
ixpk= 0, nxpk= 0, iat= -1,1679, r1= 1.30, r2= 1.80, r3= 3.38, r4= 3.88,
igr1=1669,1670,
&end
#
# 110 GLN HB3 111 GLU H 3.65
&rst
ixpk= 0, nxpk= 0, iat=1667,1679, r1= 1.30, r2= 1.80, r3= 3.65, r4= 4.15, &end
#
# 111 GLU H 111 GLU QB 3.32
&rst
ixpk= 0, nxpk= 0, iat=1679, -1, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23,
igr2=1683,1684,
&end
#
# 91 ALA H 94 GLU H 5.34
&rst
ixpk= 0, nxpk= 0, iat=1343,1389, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84, &end
#
# 90 GLY H 91 ALA H 3.51
&rst
ixpk= 0, nxpk= 0, iat=1336,1343, r1= 1.30, r2= 1.80, r3= 3.51, r4= 4.01, &end
#
# 88 PRO HA 91 ALA H 3.81
&rst
ixpk= 0, nxpk= 0, iat=1316,1343, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31, &end
#
# 89 VAL HA 91 ALA H 4.80
&rst
ixpk= 0, nxpk= 0, iat=1322,1343, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, &end
#
# 89 VAL HB 91 ALA H 5.50
&rst
ixpk= 0, nxpk= 0, iat=1324,1343, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 91 ALA H 146 ALA QB 5.50
&rst
ixpk= 0, nxpk= 0, iat=1343, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=2239,2240,2241,
&end
#
# 91 ALA H 91 ALA QB 2.88
&rst
ixpk= 0, nxpk= 0, iat=1343, -1, r1= 1.30, r2= 1.80, r3= 3.46, r4= 3.96,
igr2=1347,1348,1349,
&end
#
# 91 ALA H 150 LEU QD1 4.55
&rst
ixpk= 0, nxpk= 0, iat=1343, -1, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96,
igr2=2303,2304,2305,
&end
#
# 91 ALA H 150 LEU QD2 4.55
&rst
ixpk= 0, nxpk= 0, iat=1343, -1, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96,
igr2=2307,2308,2309,
&end
#
# 120 PHE H 121 THR H 4.34
&rst
ixpk= 0, nxpk= 0, iat=1814,1834, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84, &end
#
# 120 PHE H 120 PHE QD 3.32
&rst
ixpk= 0, nxpk= 0, iat=1814, -1, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23,
igr2=1822,1830,
&end
#
# 120 PHE H 134 SER HA 4.46
&rst
ixpk= 0, nxpk= 0, iat=1814,2051, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96, &end
#
# 120 PHE H 136 THR HA 3.89
&rst
ixpk= 0, nxpk= 0, iat=1814,2069, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39, &end
#
# 119 GLU HA 120 PHE H 2.95
&rst
ixpk= 0, nxpk= 0, iat=1801,1814, r1= 1.30, r2= 1.80, r3= 2.95, r4= 3.45, &end
#
# 120 PHE H 120 PHE HB3 4.12
&rst
ixpk= 0, nxpk= 0, iat=1814,1819, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62, &end
#
# 120 PHE H 120 PHE HB2 3.63
&rst
ixpk= 0, nxpk= 0, iat=1814,1818, r1= 1.30, r2= 1.80, r3= 3.63, r4= 4.13, &end
#
# 119 GLU HG3 120 PHE H 4.01
&rst
ixpk= 0, nxpk= 0, iat=1807,1814, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51, &end
#
# 119 GLU HG2 120 PHE H 4.01
&rst
ixpk= 0, nxpk= 0, iat=1806,1814, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51, &end
#
# 119 GLU HB2 120 PHE H 4.16
&rst
ixpk= 0, nxpk= 0, iat=1803,1814, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66, &end
#
# 119 GLU HB3 120 PHE H 3.76
&rst
ixpk= 0, nxpk= 0, iat=1804,1814, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26, &end
#
# 120 PHE H 141 ALA QB 4.19
&rst
ixpk= 0, nxpk= 0, iat=1814, -1, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,
igr2=2159,2160,2161,
&end
#
# 120 PHE H 136 THR QG2 5.18
&rst
ixpk= 0, nxpk= 0, iat=1814, -1, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
igr2=2073,2074,2075,
&end
#
# 134 SER HA 141 ALA H 5.50
&rst
ixpk= 0, nxpk= 0, iat=2051,2155, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 135 GLY H 141 ALA H 4.71
&rst
ixpk= 0, nxpk= 0, iat=2060,2155, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21, &end
#
# 141 ALA H 142 LYS H 3.47
&rst
ixpk= 0, nxpk= 0, iat=2155,2165, r1= 1.30, r2= 1.80, r3= 3.47, r4= 3.97, &end
#
# 137 SER H 141 ALA H 4.06
&rst
ixpk= 0, nxpk= 0, iat=2081,2155, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56, &end
#
# 141 ALA H 142 LYS HA 5.40
&rst
ixpk= 0, nxpk= 0, iat=2155,2167, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, &end
#
# 138 LYS HA 141 ALA H 4.01
&rst
ixpk= 0, nxpk= 0, iat=2094,2155, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51, &end
#
# 140 LEU HB2 141 ALA H 4.11
&rst
ixpk= 0, nxpk= 0, iat=2140,2155, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61, &end
#
# 140 LEU HB3 141 ALA H 4.11
&rst
ixpk= 0, nxpk= 0, iat=2141,2155, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61, &end
#
# 140 LEU HG 141 ALA H 4.41
&rst
ixpk= 0, nxpk= 0, iat=2143,2155, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91, &end
#
# 141 ALA H 141 ALA QB 2.95
&rst
ixpk= 0, nxpk= 0, iat=2155, -1, r1= 1.30, r2= 1.80, r3= 3.54, r4= 4.04,
igr2=2159,2160,2161,
&end
#
# 140 LEU QD1 141 ALA H 4.66
&rst
ixpk= 0, nxpk= 0, iat= -1,2155, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,
igr1=2145,2146,2147,
&end
#
# 140 LEU QD2 141 ALA H 4.66
&rst
ixpk= 0, nxpk= 0, iat= -1,2155, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,
igr1=2149,2150,2151,
&end
#
# 105 GLU H 125 ARG HB3 3.93
&rst
ixpk= 0, nxpk= 0, iat=1582,1895, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, &end
#
# 105 GLU H 124 CYS HG 4.72
&rst
ixpk= 0, nxpk= 0, iat=1582,1886, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, &end
#
# 105 GLU H 126 VAL HA 4.62
&rst
ixpk= 0, nxpk= 0, iat=1582,1916, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12, &end
#
# 104 PRO HA 105 GLU H 2.92
&rst
ixpk= 0, nxpk= 0, iat=1578,1582, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42, &end
#
# 104 PRO HG2 105 GLU H 4.97
&rst
ixpk= 0, nxpk= 0, iat=1572,1582, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47, &end
#
# 105 GLU H 105 GLU HG3 4.87
&rst
ixpk= 0, nxpk= 0, iat=1582,1590, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37, &end
#
# 105 GLU H 105 GLU HB2 3.39
&rst
ixpk= 0, nxpk= 0, iat=1582,1586, r1= 1.30, r2= 1.80, r3= 3.39, r4= 3.89, &end
#
# 105 GLU H 105 GLU HB3 3.39
&rst
ixpk= 0, nxpk= 0, iat=1582,1587, r1= 1.30, r2= 1.80, r3= 3.39, r4= 3.89, &end
#
# 128 ARG H 129 PHE H 3.26
&rst
ixpk= 0, nxpk= 0, iat=1945,1969, r1= 1.30, r2= 1.80, r3= 3.26, r4= 3.76, &end
#
# 129 PHE H 129 PHE QE 5.34
&rst
ixpk= 0, nxpk= 0, iat=1969, -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr2=1979,1983,
&end
#
# 129 PHE H 129 PHE QD 3.38
&rst
ixpk= 0, nxpk= 0, iat=1969, -1, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29,
igr2=1977,1985,
&end
#
# 129 PHE H 130 ILE HA 6.00
&rst
ixpk= 0, nxpk= 0, iat=1969,1991, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 128 ARG HA 129 PHE H 3.33
&rst
ixpk= 0, nxpk= 0, iat=1947,1969, r1= 1.30, r2= 1.80, r3= 3.33, r4= 3.83, &end
#
# 127 GLU HA 129 PHE H 4.80
&rst
ixpk= 0, nxpk= 0, iat=1932,1969, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, &end
#
# 129 PHE H 129 PHE HB2 3.24
&rst
ixpk= 0, nxpk= 0, iat=1969,1973, r1= 1.30, r2= 1.80, r3= 3.24, r4= 3.74, &end
#
# 129 PHE H 129 PHE HB3 4.03
&rst
ixpk= 0, nxpk= 0, iat=1969,1974, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53, &end
#
# 126 VAL HB 129 PHE H 4.74
&rst
ixpk= 0, nxpk= 0, iat=1918,1969, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24, &end
#
# 129 PHE H 149 MET QE 4.08
&rst
ixpk= 0, nxpk= 0, iat=1969, -1, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,
igr2=2288,2289,2290,
&end
#
# 128 ARG HB3 129 PHE H 4.70
&rst
ixpk= 0, nxpk= 0, iat=1950,1969, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, &end
#
# 128 ARG HB2 129 PHE H 4.70
&rst
ixpk= 0, nxpk= 0, iat=1949,1969, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, &end
#
# 126 VAL QG2 129 PHE H 4.75
&rst
ixpk= 0, nxpk= 0, iat= -1,1969, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,
igr1=1924,1925,1926,
&end
#
# 126 VAL QG1 129 PHE H 4.75
&rst
ixpk= 0, nxpk= 0, iat= -1,1969, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,
igr1=1920,1921,1922,
&end
#
# 129 PHE H 130 ILE QD1 6.00
&rst
ixpk= 0, nxpk= 0, iat=1969, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2=2002,2003,2004,
&end
#
# 130 ILE H 131 GLU HB2 5.23
&rst
ixpk= 0, nxpk= 0, iat=1989,2012, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73, &end
#
# 96 VAL HA 101 TRP H 4.51
&rst
ixpk= 0, nxpk= 0, iat=1425,1501, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01, &end
#
# 129 PHE H 130 ILE H 6.00
&rst
ixpk= 0, nxpk= 0, iat=1969,1989, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 130 ILE H 131 GLU H 4.42
&rst
ixpk= 0, nxpk= 0, iat=1989,2008, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92, &end
#
# 125 ARG HA 130 ILE H 5.50
&rst
ixpk= 0, nxpk= 0, iat=1892,1989, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 129 PHE HA 130 ILE H 2.73
&rst
ixpk= 0, nxpk= 0, iat=1971,1989, r1= 1.30, r2= 1.80, r3= 2.73, r4= 3.23, &end
#
# 129 PHE HB2 130 ILE H 4.26
&rst
ixpk= 0, nxpk= 0, iat=1973,1989, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76, &end
#
# 130 ILE H 152 ARG QD 5.50
&rst
ixpk= 0, nxpk= 0, iat=1989, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=2342,2343,
&end
#
# 129 PHE HB3 130 ILE H 3.42
&rst
ixpk= 0, nxpk= 0, iat=1974,1989, r1= 1.30, r2= 1.80, r3= 3.42, r4= 3.92, &end
#
# 130 ILE H 149 MET QE 3.77
&rst
ixpk= 0, nxpk= 0, iat=1989, -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
igr2=2288,2289,2290,
&end
#
# 130 ILE H 130 ILE HB 3.19
&rst
ixpk= 0, nxpk= 0, iat=1989,1993, r1= 1.30, r2= 1.80, r3= 3.19, r4= 3.69, &end
#
# 130 ILE H 130 ILE HG13 3.87
&rst
ixpk= 0, nxpk= 0, iat=1989,2000, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37, &end
#
# 130 ILE H 130 ILE HG12 4.20
&rst
ixpk= 0, nxpk= 0, iat=1989,1999, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 130 ILE H 130 ILE QG2 4.04
&rst
ixpk= 0, nxpk= 0, iat=1989, -1, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
igr2=1995,1996,1997,
&end
#
# 101 TRP H 101 TRP HE1 5.03
&rst
ixpk= 0, nxpk= 0, iat=1501,1511, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53, &end
#
# 101 TRP H 102 ARG H 4.74
&rst
ixpk= 0, nxpk= 0, iat=1501,1525, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24, &end
#
# 99 LYS H 101 TRP H 4.00
&rst
ixpk= 0, nxpk= 0, iat=1472,1501, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 101 TRP H 101 TRP HE3 4.77
&rst
ixpk= 0, nxpk= 0, iat=1501,1520, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27, &end
#
# 101 TRP H 101 TRP HB3 3.86
&rst
ixpk= 0, nxpk= 0, iat=1501,1506, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36, &end
#
# 101 TRP H 101 TRP HB2 3.40
&rst
ixpk= 0, nxpk= 0, iat=1501,1505, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90, &end
#
# 99 LYS HB2 101 TRP H 4.41
&rst
ixpk= 0, nxpk= 0, iat=1476,1501, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91, &end
#
# 99 LYS HB3 101 TRP H 4.41
&rst
ixpk= 0, nxpk= 0, iat=1477,1501, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91, &end
#
# 109 THR H 110 GLN HB2 4.64
&rst
ixpk= 0, nxpk= 0, iat=1648,1666, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14, &end
#
# 96 VAL HA 98 GLN H 4.92
&rst
ixpk= 0, nxpk= 0, iat=1425,1455, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42, &end
#
# 109 THR H 121 THR HB 4.88
&rst
ixpk= 0, nxpk= 0, iat=1648,1838, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38, &end
#
# 109 THR H 122 MET HA 3.79
&rst
ixpk= 0, nxpk= 0, iat=1648,1850, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29, &end
#
# 109 THR H 109 THR HB 3.90
&rst
ixpk= 0, nxpk= 0, iat=1648,1652, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40, &end
#
# 108 VAL HB 109 THR H 4.74
&rst
ixpk= 0, nxpk= 0, iat=1636,1648, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24, &end
#
# 109 THR H 110 GLN HB3 5.23
&rst
ixpk= 0, nxpk= 0, iat=1648,1667, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73, &end
#
# 109 THR H 109 THR QG2 3.16
&rst
ixpk= 0, nxpk= 0, iat=1648, -1, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29,
igr2=1654,1655,1656,
&end
#
# 150 LEU H 152 ARG H 4.59
&rst
ixpk= 0, nxpk= 0, iat=2294,2332, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09, &end
#
# 146 ALA HA 150 LEU H 3.95
&rst
ixpk= 0, nxpk= 0, iat=2237,2294, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45, &end
#
# 147 ALA HA 150 LEU H 3.99
&rst
ixpk= 0, nxpk= 0, iat=2247,2294, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49, &end
#
# 149 MET QG 150 LEU H 4.10
&rst
ixpk= 0, nxpk= 0, iat= -1,2294, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
igr1=2284,2285,
&end
#
# 150 LEU H 150 LEU HB2 3.71
&rst
ixpk= 0, nxpk= 0, iat=2294,2298, r1= 1.30, r2= 1.80, r3= 3.71, r4= 4.21, &end
#
# 150 LEU H 150 LEU HB3 3.71
&rst
ixpk= 0, nxpk= 0, iat=2294,2299, r1= 1.30, r2= 1.80, r3= 3.71, r4= 4.21, &end
#
# 149 MET H 152 ARG H 4.86
&rst
ixpk= 0, nxpk= 0, iat=2277,2332, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36, &end
#
# 97 VAL H 98 GLN H 3.53
&rst
ixpk= 0, nxpk= 0, iat=1439,1455, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03, &end
#
# 98 GLN H 99 LYS H 3.54
&rst
ixpk= 0, nxpk= 0, iat=1455,1472, r1= 1.30, r2= 1.80, r3= 3.54, r4= 4.04, &end
#
# 94 GLU HA 98 GLN H 4.39
&rst
ixpk= 0, nxpk= 0, iat=1391,1455, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89, &end
#
# 95 LEU QD2 98 GLN H 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1455, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1417,1418,1419,
&end
#
# 148 LYS H 150 LEU H 4.41
&rst
ixpk= 0, nxpk= 0, iat=2255,2294, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91, &end
#
# 150 LEU H 150 LEU HG 3.26
&rst
ixpk= 0, nxpk= 0, iat=2294,2301, r1= 1.30, r2= 1.80, r3= 3.26, r4= 3.76, &end
#
# 149 MET H 150 LEU H 3.51
&rst
ixpk= 0, nxpk= 0, iat=2277,2294, r1= 1.30, r2= 1.80, r3= 3.51, r4= 4.01, &end
#
# 148 LYS H 149 MET H 3.47
&rst
ixpk= 0, nxpk= 0, iat=2255,2277, r1= 1.30, r2= 1.80, r3= 3.47, r4= 3.97, &end
#
# 149 MET H 151 LEU H 4.61
&rst
ixpk= 0, nxpk= 0, iat=2277,2313, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11, &end
#
# 146 ALA HA 149 MET H 3.73
&rst
ixpk= 0, nxpk= 0, iat=2237,2277, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23, &end
#
# 145 ALA HA 149 MET H 4.54
&rst
ixpk= 0, nxpk= 0, iat=2227,2277, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04, &end
#
# 149 MET H 149 MET QG 4.06
&rst
ixpk= 0, nxpk= 0, iat=2277, -1, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06,
igr2=2284,2285,
&end
#
# 131 GLU HB3 149 MET H 4.49
&rst
ixpk= 0, nxpk= 0, iat=2013,2277, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99, &end
#
# 148 LYS QB 149 MET H 3.34
&rst
ixpk= 0, nxpk= 0, iat= -1,2277, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25,
igr1=2259,2260,
&end
#
# 131 GLU HB2 149 MET H 4.48
&rst
ixpk= 0, nxpk= 0, iat=2012,2277, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98, &end
#
# 95 LEU H 96 VAL HB 5.19
&rst
ixpk= 0, nxpk= 0, iat=1404,1427, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69, &end
#
# 128 ARG H 129 PHE QE 4.88
&rst
ixpk= 0, nxpk= 0, iat=1945, -1, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98,
igr2=1979,1983,
&end
#
# 128 ARG H 129 PHE HB2 4.62
&rst
ixpk= 0, nxpk= 0, iat=1945,1973, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12, &end
#
# 128 ARG H 128 ARG QD 4.75
&rst
ixpk= 0, nxpk= 0, iat=1945, -1, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83,
igr2=1955,1956,
&end
#
# 128 ARG H 128 ARG HB3 3.71
&rst
ixpk= 0, nxpk= 0, iat=1945,1950, r1= 1.30, r2= 1.80, r3= 3.71, r4= 4.21, &end
#
# 128 ARG H 128 ARG HB2 3.71
&rst
ixpk= 0, nxpk= 0, iat=1945,1949, r1= 1.30, r2= 1.80, r3= 3.71, r4= 4.21, &end
#
# 128 ARG H 129 PHE HA 5.23
&rst
ixpk= 0, nxpk= 0, iat=1945,1971, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73, &end
#
# 115 ALA H 116 HIS HE1 5.16
&rst
ixpk= 0, nxpk= 0, iat=1726,1745, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66, &end
#
# 115 ALA H 116 HIS H 4.02
&rst
ixpk= 0, nxpk= 0, iat=1726,1736, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52, &end
#
# 114 PRO HA 115 ALA H 3.13
&rst
ixpk= 0, nxpk= 0, iat=1722,1726, r1= 1.30, r2= 1.80, r3= 3.13, r4= 3.63, &end
#
# 114 PRO QB 115 ALA H 3.79
&rst
ixpk= 0, nxpk= 0, iat= -1,1726, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75,
igr1=1719,1720,
&end
#
# 115 ALA H 115 ALA QB 3.18
&rst
ixpk= 0, nxpk= 0, iat=1726, -1, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32,
igr2=1730,1731,1732,
&end
#
# 138 LYS H 140 LEU H 4.81
&rst
ixpk= 0, nxpk= 0, iat=2092,2136, r1= 1.30, r2= 1.80, r3= 4.81, r4= 5.31, &end
#
# 139 LYS H 140 LEU H 3.54
&rst
ixpk= 0, nxpk= 0, iat=2114,2136, r1= 1.30, r2= 1.80, r3= 3.54, r4= 4.04, &end
#
# 140 LEU H 141 ALA H 3.48
&rst
ixpk= 0, nxpk= 0, iat=2136,2155, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98, &end
#
# 137 SER HA 140 LEU H 4.75
&rst
ixpk= 0, nxpk= 0, iat=2083,2136, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25, &end
#
# 140 LEU H 140 LEU HB2 3.51
&rst
ixpk= 0, nxpk= 0, iat=2136,2140, r1= 1.30, r2= 1.80, r3= 3.51, r4= 4.01, &end
#
# 140 LEU H 140 LEU HB3 3.51
&rst
ixpk= 0, nxpk= 0, iat=2136,2141, r1= 1.30, r2= 1.80, r3= 3.51, r4= 4.01, &end
#
# 140 LEU H 141 ALA QB 4.37
&rst
ixpk= 0, nxpk= 0, iat=2136, -1, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75,
igr2=2159,2160,2161,
&end
#
# 140 LEU H 140 LEU QD2 4.28
&rst
ixpk= 0, nxpk= 0, iat=2136, -1, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
igr2=2149,2150,2151,
&end
#
# 154 HIS HA 155 THR H 2.78
&rst
ixpk= 0, nxpk= 0, iat=2374,2389, r1= 1.30, r2= 1.80, r3= 2.78, r4= 3.28, &end
#
# 155 THR H 155 THR HB 3.96
&rst
ixpk= 0, nxpk= 0, iat=2389,2393, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46, &end
#
# 154 HIS HB3 155 THR H 3.89
&rst
ixpk= 0, nxpk= 0, iat=2377,2389, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39, &end
#
# 154 HIS HB2 155 THR H 4.33
&rst
ixpk= 0, nxpk= 0, iat=2376,2389, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83, &end
#
# 153 VAL QG2 155 THR H 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,2389, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=2366,2367,2368,
&end
#
# 128 ARG H 129 PHE QD 4.48
&rst
ixpk= 0, nxpk= 0, iat=1945, -1, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,
igr2=1977,1985,
&end
#
# 110 GLN H 120 PHE HA 5.50
&rst
ixpk= 0, nxpk= 0, iat=1662,1816, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 110 GLN H 121 THR HB 4.18
&rst
ixpk= 0, nxpk= 0, iat=1662,1838, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68, &end
#
# 110 GLN H 110 GLN QG 4.32
&rst
ixpk= 0, nxpk= 0, iat=1662, -1, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
igr2=1669,1670,
&end
#
# 110 GLN H 110 GLN HB3 3.68
&rst
ixpk= 0, nxpk= 0, iat=1662,1667, r1= 1.30, r2= 1.80, r3= 3.68, r4= 4.18, &end
#
# 110 GLN H 110 GLN HB2 3.72
&rst
ixpk= 0, nxpk= 0, iat=1662,1666, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22, &end
#
# 109 THR H 110 GLN H 3.13
&rst
ixpk= 0, nxpk= 0, iat=1648,1662, r1= 1.30, r2= 1.80, r3= 3.13, r4= 3.63, &end
#
# 110 GLN H 111 GLU H 4.42
&rst
ixpk= 0, nxpk= 0, iat=1662,1679, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92, &end
#
# 110 GLN H 122 MET HA 5.10
&rst
ixpk= 0, nxpk= 0, iat=1662,1850, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60, &end
#
# 109 THR HB 110 GLN H 4.64
&rst
ixpk= 0, nxpk= 0, iat=1652,1662, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14, &end
#
# 152 ARG H 154 HIS H 4.05
&rst
ixpk= 0, nxpk= 0, iat=2332,2372, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55, &end
#
# 153 VAL HB 154 HIS H 3.89
&rst
ixpk= 0, nxpk= 0, iat=2360,2372, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39, &end
#
# 152 ARG HB3 154 HIS H 5.27
&rst
ixpk= 0, nxpk= 0, iat=2337,2372, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77, &end
#
# 153 VAL QG2 154 HIS H 3.28
&rst
ixpk= 0, nxpk= 0, iat= -1,2372, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44,
igr1=2366,2367,2368,
&end
#
# 153 VAL H 154 HIS H 3.00
&rst
ixpk= 0, nxpk= 0, iat=2356,2372, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 154 HIS H 154 HIS HD2 5.00
&rst
ixpk= 0, nxpk= 0, iat=2372,2385, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 154 HIS H 154 HIS HA 2.94
&rst
ixpk= 0, nxpk= 0, iat=2372,2374, r1= 1.30, r2= 1.80, r3= 2.94, r4= 3.44, &end
#
# 151 LEU HA 154 HIS H 3.87
&rst
ixpk= 0, nxpk= 0, iat=2315,2372, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37, &end
#
# 150 LEU HA 154 HIS H 4.18
&rst
ixpk= 0, nxpk= 0, iat=2296,2372, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68, &end
#
# 154 HIS H 154 HIS HB3 3.03
&rst
ixpk= 0, nxpk= 0, iat=2372,2377, r1= 1.30, r2= 1.80, r3= 3.03, r4= 3.53, &end
#
# 154 HIS H 154 HIS HB2 2.95
&rst
ixpk= 0, nxpk= 0, iat=2372,2376, r1= 1.30, r2= 1.80, r3= 2.95, r4= 3.45, &end
#
# 153 VAL QG1 154 HIS H 4.11
&rst
ixpk= 0, nxpk= 0, iat= -1,2372, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
igr1=2362,2363,2364,
&end
#
# 96 VAL HB 97 VAL H 4.35
&rst
ixpk= 0, nxpk= 0, iat=1427,1439, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85, &end
#
# 97 VAL H 97 VAL HB 2.60
&rst
ixpk= 0, nxpk= 0, iat=1439,1443, r1= 1.30, r2= 1.80, r3= 2.60, r4= 3.10, &end
#
# 123 THR HA 132 ILE H 5.10
&rst
ixpk= 0, nxpk= 0, iat=1867,2023, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60, &end
#
# 131 GLU HA 132 ILE H 2.82
&rst
ixpk= 0, nxpk= 0, iat=2010,2023, r1= 1.30, r2= 1.80, r3= 2.82, r4= 3.32, &end
#
# 132 ILE H 145 ALA HA 4.75
&rst
ixpk= 0, nxpk= 0, iat=2023,2227, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25, &end
#
# 131 GLU HB3 132 ILE H 3.49
&rst
ixpk= 0, nxpk= 0, iat=2013,2023, r1= 1.30, r2= 1.80, r3= 3.49, r4= 3.99, &end
#
# 132 ILE H 132 ILE HB 3.09
&rst
ixpk= 0, nxpk= 0, iat=2023,2027, r1= 1.30, r2= 1.80, r3= 3.09, r4= 3.59, &end
#
# 131 GLU HB2 132 ILE H 3.98
&rst
ixpk= 0, nxpk= 0, iat=2012,2023, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48, &end
#
# 132 ILE H 132 ILE HG13 3.52
&rst
ixpk= 0, nxpk= 0, iat=2023,2034, r1= 1.30, r2= 1.80, r3= 3.52, r4= 4.02, &end
#
# 123 THR QG2 132 ILE H 4.96
&rst
ixpk= 0, nxpk= 0, iat= -1,2023, r1= 1.30, r2= 1.80, r3= 5.96, r4= 6.46,
igr1=1871,1872,1873,
&end
#
# 106 TYR QE 146 ALA H 3.97
&rst
ixpk= 0, nxpk= 0, iat= -1,2235, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96,
igr1=1607,1612,
&end
#
# 146 ALA H 147 ALA HA 5.41
&rst
ixpk= 0, nxpk= 0, iat=2235,2247, r1= 1.30, r2= 1.80, r3= 5.41, r4= 5.91, &end
#
# 142 LYS HA 146 ALA H 4.69
&rst
ixpk= 0, nxpk= 0, iat=2167,2235, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19, &end
#
# 146 ALA H 148 LYS QB 5.50
&rst
ixpk= 0, nxpk= 0, iat=2235, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=2259,2260,
&end
#
# 146 ALA H 148 LYS HG2 5.50
&rst
ixpk= 0, nxpk= 0, iat=2235,2262, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 146 ALA H 146 ALA QB 2.90
&rst
ixpk= 0, nxpk= 0, iat=2235, -1, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98,
igr2=2239,2240,2241,
&end
#
# 145 ALA QB 146 ALA H 3.18
&rst
ixpk= 0, nxpk= 0, iat= -1,2235, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32,
igr1=2229,2230,2231,
&end
#
# 143 ARG HA 146 ALA H 3.92
&rst
ixpk= 0, nxpk= 0, iat=2189,2235, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42, &end
#
# 89 VAL HA 146 ALA H 5.47
&rst
ixpk= 0, nxpk= 0, iat=1322,2235, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97, &end
#
# 94 GLU H 97 VAL H 5.23
&rst
ixpk= 0, nxpk= 0, iat=1389,1439, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73, &end
#
# 95 LEU H 97 VAL H 4.49
&rst
ixpk= 0, nxpk= 0, iat=1404,1439, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99, &end
#
# 93 GLN HA 97 VAL H 4.51
&rst
ixpk= 0, nxpk= 0, iat=1374,1439, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01, &end
#
# 94 GLU HA 97 VAL H 4.79
&rst
ixpk= 0, nxpk= 0, iat=1391,1439, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29, &end
#
# 102 ARG H 103 LEU H 4.60
&rst
ixpk= 0, nxpk= 0, iat=1525,1549, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, &end
#
# 101 TRP HA 102 ARG H 2.92
&rst
ixpk= 0, nxpk= 0, iat=1503,1525, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42, &end
#
# 101 TRP HB3 102 ARG H 3.33
&rst
ixpk= 0, nxpk= 0, iat=1506,1525, r1= 1.30, r2= 1.80, r3= 3.33, r4= 3.83, &end
#
# 101 TRP HB2 102 ARG H 3.39
&rst
ixpk= 0, nxpk= 0, iat=1505,1525, r1= 1.30, r2= 1.80, r3= 3.39, r4= 3.89, &end
#
# 102 ARG H 102 ARG HB2 3.72
&rst
ixpk= 0, nxpk= 0, iat=1525,1529, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22, &end
#
# 102 ARG H 102 ARG QG 2.77
&rst
ixpk= 0, nxpk= 0, iat=1525, -1, r1= 1.30, r2= 1.80, r3= 3.11, r4= 3.61,
igr2=1532,1533,
&end
#
# 143 ARG HA 147 ALA H 4.44
&rst
ixpk= 0, nxpk= 0, iat=2189,2245, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94, &end
#
# 146 ALA QB 147 ALA H 3.14
&rst
ixpk= 0, nxpk= 0, iat= -1,2245, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1=2239,2240,2241,
&end
#
# 146 ALA H 147 ALA H 3.53
&rst
ixpk= 0, nxpk= 0, iat=2235,2245, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03, &end
#
# 147 ALA H 149 MET H 4.61
&rst
ixpk= 0, nxpk= 0, iat=2245,2277, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11, &end
#
# 147 ALA H 148 LYS H 3.64
&rst
ixpk= 0, nxpk= 0, iat=2245,2255, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14, &end
#
# 144 ASN HA 147 ALA H 4.80
&rst
ixpk= 0, nxpk= 0, iat=2213,2245, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, &end
#
# 145 ALA HA 147 ALA H 4.84
&rst
ixpk= 0, nxpk= 0, iat=2227,2245, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34, &end
#
# 112 SER H 121 THR H 5.50
&rst
ixpk= 0, nxpk= 0, iat=1694,1834, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 112 SER H 120 PHE HA 4.24
&rst
ixpk= 0, nxpk= 0, iat=1694,1816, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74, &end
#
# 111 GLU HA 112 SER H 2.95
&rst
ixpk= 0, nxpk= 0, iat=1681,1694, r1= 1.30, r2= 1.80, r3= 2.95, r4= 3.45, &end
#
# 112 SER H 118 LYS HA 4.87
&rst
ixpk= 0, nxpk= 0, iat=1694,1779, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37, &end
#
# 112 SER H 113 GLY HA2 5.50
&rst
ixpk= 0, nxpk= 0, iat=1694,1707, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 111 GLU QB 112 SER H 3.57
&rst
ixpk= 0, nxpk= 0, iat= -1,1694, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51,
igr1=1683,1684,
&end
#
# 112 SER H 119 GLU HB3 4.51
&rst
ixpk= 0, nxpk= 0, iat=1694,1804, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01, &end
#
# 112 SER H 113 GLY H 4.63
&rst
ixpk= 0, nxpk= 0, iat=1694,1705, r1= 1.30, r2= 1.80, r3= 4.63, r4= 5.13, &end
#
# 92 LEU H 93 GLN H 3.50
&rst
ixpk= 0, nxpk= 0, iat=1353,1372, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 88 PRO HA 92 LEU H 4.20
&rst
ixpk= 0, nxpk= 0, iat=1316,1353, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 89 VAL HA 92 LEU H 4.11
&rst
ixpk= 0, nxpk= 0, iat=1322,1353, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61, &end
#
# 92 LEU H 92 LEU HB3 3.58
&rst
ixpk= 0, nxpk= 0, iat=1353,1358, r1= 1.30, r2= 1.80, r3= 3.58, r4= 4.08, &end
#
# 92 LEU H 150 LEU HG 5.34
&rst
ixpk= 0, nxpk= 0, iat=1353,2301, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84, &end
#
# 92 LEU H 92 LEU HB2 3.58
&rst
ixpk= 0, nxpk= 0, iat=1353,1357, r1= 1.30, r2= 1.80, r3= 3.58, r4= 4.08, &end
#
# 91 ALA QB 92 LEU H 3.29
&rst
ixpk= 0, nxpk= 0, iat= -1,1353, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45,
igr1=1347,1348,1349,
&end
#
# 92 LEU H 92 LEU QD2 4.52
&rst
ixpk= 0, nxpk= 0, iat=1353, -1, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,
igr2=1366,1367,1368,
&end
#
# 141 ALA QB 142 LYS H 3.36
&rst
ixpk= 0, nxpk= 0, iat= -1,2165, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1=2159,2160,2161,
&end
#
# 86 CYS Q 86 CYS QB 3.47
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,
igr1=1279,1280,1281,
igr2=1285,1286,
&end
#
# 102 ARG HA 103 LEU H 2.81
&rst
ixpk= 0, nxpk= 0, iat=1527,1549, r1= 1.30, r2= 1.80, r3= 2.81, r4= 3.31, &end
#
# 119 GLU H 120 PHE H 4.57
&rst
ixpk= 0, nxpk= 0, iat=1799,1814, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07, &end
#
# 119 GLU H 119 GLU HB2 3.30
&rst
ixpk= 0, nxpk= 0, iat=1799,1803, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 119 GLU H 119 GLU HB3 3.73
&rst
ixpk= 0, nxpk= 0, iat=1799,1804, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23, &end
#
# 87 ASN HA 89 VAL H 4.93
&rst
ixpk= 0, nxpk= 0, iat=1294,1320, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43, &end
#
# 88 PRO HD2 89 VAL H 4.61
&rst
ixpk= 0, nxpk= 0, iat=1307,1320, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11, &end
#
# 88 PRO HG3 89 VAL H 4.63
&rst
ixpk= 0, nxpk= 0, iat=1311,1320, r1= 1.30, r2= 1.80, r3= 4.63, r4= 5.13, &end
#
# 89 VAL H 89 VAL HB 3.97
&rst
ixpk= 0, nxpk= 0, iat=1320,1324, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47, &end
#
# 89 VAL H 146 ALA QB 4.81
&rst
ixpk= 0, nxpk= 0, iat=1320, -1, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28,
igr2=2239,2240,2241,
&end
#
# 89 VAL H 89 VAL QG2 4.20
&rst
ixpk= 0, nxpk= 0, iat=1320, -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr2=1330,1331,1332,
&end
#
# 88 PRO HG2 89 VAL H 4.63
&rst
ixpk= 0, nxpk= 0, iat=1310,1320, r1= 1.30, r2= 1.80, r3= 4.63, r4= 5.13, &end
#
# 93 GLN H 94 GLU H 3.75
&rst
ixpk= 0, nxpk= 0, iat=1372,1389, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25, &end
#
# 112 SER H 119 GLU H 3.67
&rst
ixpk= 0, nxpk= 0, iat=1694,1799, r1= 1.30, r2= 1.80, r3= 3.67, r4= 4.17, &end
#
# 119 GLU H 120 PHE QE 4.68
&rst
ixpk= 0, nxpk= 0, iat=1799, -1, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75,
igr2=1824,1828,
&end
#
# 119 GLU H 120 PHE QD 5.00
&rst
ixpk= 0, nxpk= 0, iat=1799, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2=1822,1830,
&end
#
# 111 GLU HA 119 GLU H 5.15
&rst
ixpk= 0, nxpk= 0, iat=1681,1799, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65, &end
#
# 112 SER HA 119 GLU H 5.16
&rst
ixpk= 0, nxpk= 0, iat=1696,1799, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66, &end
#
# 119 GLU H 136 THR HA 5.50
&rst
ixpk= 0, nxpk= 0, iat=1799,2069, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 118 LYS HA 119 GLU H 2.94
&rst
ixpk= 0, nxpk= 0, iat=1779,1799, r1= 1.30, r2= 1.80, r3= 2.94, r4= 3.44, &end
#
# 118 LYS HE3 119 GLU H 5.23
&rst
ixpk= 0, nxpk= 0, iat=1791,1799, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73, &end
#
# 118 LYS HE2 119 GLU H 5.23
&rst
ixpk= 0, nxpk= 0, iat=1790,1799, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73, &end
#
# 143 ARG H 144 ASN HB2 4.68
&rst
ixpk= 0, nxpk= 0, iat=2187,2215, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18, &end
#
# 142 LYS H 143 ARG H 3.80
&rst
ixpk= 0, nxpk= 0, iat=2165,2187, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end
#
# 143 ARG H 143 ARG HB2 3.54
&rst
ixpk= 0, nxpk= 0, iat=2187,2191, r1= 1.30, r2= 1.80, r3= 3.54, r4= 4.04, &end
#
# 143 ARG H 143 ARG HB3 3.38
&rst
ixpk= 0, nxpk= 0, iat=2187,2192, r1= 1.30, r2= 1.80, r3= 3.38, r4= 3.88, &end
#
# 143 ARG H 146 ALA QB 4.79
&rst
ixpk= 0, nxpk= 0, iat=2187, -1, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25,
igr2=2239,2240,2241,
&end
#
# 91 ALA HA 93 GLN H 4.87
&rst
ixpk= 0, nxpk= 0, iat=1345,1372, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37, &end
#
# 89 VAL HA 93 GLN H 4.69
&rst
ixpk= 0, nxpk= 0, iat=1322,1372, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19, &end
#
# 92 LEU HB3 93 GLN H 3.87
&rst
ixpk= 0, nxpk= 0, iat=1358,1372, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37, &end
#
# 92 LEU HB2 93 GLN H 3.87
&rst
ixpk= 0, nxpk= 0, iat=1357,1372, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37, &end
#
# 152 ARG H 153 VAL H 3.10
&rst
ixpk= 0, nxpk= 0, iat=2332,2356, r1= 1.30, r2= 1.80, r3= 3.10, r4= 3.60, &end
#
# 151 LEU H 152 ARG H 3.21
&rst
ixpk= 0, nxpk= 0, iat=2313,2332, r1= 1.30, r2= 1.80, r3= 3.21, r4= 3.71, &end
#
# 149 MET HA 152 ARG H 3.78
&rst
ixpk= 0, nxpk= 0, iat=2279,2332, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28, &end
#
# 150 LEU HA 152 ARG H 4.21
&rst
ixpk= 0, nxpk= 0, iat=2296,2332, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71, &end
#
# 152 ARG H 152 ARG QD 4.72
&rst
ixpk= 0, nxpk= 0, iat=2332, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr2=2342,2343,
&end
#
# 152 ARG H 152 ARG HB2 2.96
&rst
ixpk= 0, nxpk= 0, iat=2332,2336, r1= 1.30, r2= 1.80, r3= 2.96, r4= 3.46, &end
#
# 152 ARG H 152 ARG HB3 3.26
&rst
ixpk= 0, nxpk= 0, iat=2332,2337, r1= 1.30, r2= 1.80, r3= 3.26, r4= 3.76, &end
#
# 151 LEU HB2 152 ARG H 3.56
&rst
ixpk= 0, nxpk= 0, iat=2317,2332, r1= 1.30, r2= 1.80, r3= 3.56, r4= 4.06, &end
#
# 152 ARG H 153 VAL QG2 3.89
&rst
ixpk= 0, nxpk= 0, iat=2332, -1, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,
igr2=2366,2367,2368,
&end
#
# 152 ARG H 153 VAL QG1 4.64
&rst
ixpk= 0, nxpk= 0, iat=2332, -1, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07,
igr2=2362,2363,2364,
&end
#
# 86 CYS Q 87 ASN H 4.85
&rst
ixpk= 0, nxpk= 0, iat= -1,1292, r1= 1.30, r2= 1.80, r3= 5.82, r4= 6.32,
igr1=1279,1280,1281,
&end
#
# 86 CYS QB 87 ASN H 4.47
&rst
ixpk= 0, nxpk= 0, iat= -1,1292, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52,
igr1=1285,1286,
&end
#
# 138 LYS H 139 LYS H 3.66
&rst
ixpk= 0, nxpk= 0, iat=2092,2114, r1= 1.30, r2= 1.80, r3= 3.66, r4= 4.16, &end
#
# 139 LYS H 141 ALA H 4.73
&rst
ixpk= 0, nxpk= 0, iat=2114,2155, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23, &end
#
# 137 SER HA 139 LYS H 4.94
&rst
ixpk= 0, nxpk= 0, iat=2083,2114, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44, &end
#
# 138 LYS HG2 139 LYS H 4.71
&rst
ixpk= 0, nxpk= 0, iat=2099,2114, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21, &end
#
# 138 LYS HG3 139 LYS H 4.71
&rst
ixpk= 0, nxpk= 0, iat=2100,2114, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21, &end
#
# 143 ARG H 145 ALA QB 5.36
&rst
ixpk= 0, nxpk= 0, iat=2187, -1, r1= 1.30, r2= 1.80, r3= 6.44, r4= 6.94,
igr2=2229,2230,2231,
&end
#
# 141 ALA QB 143 ARG H 4.74
&rst
ixpk= 0, nxpk= 0, iat= -1,2187, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
igr1=2159,2160,2161,
&end
#
# 121 THR H 141 ALA QB 4.43
&rst
ixpk= 0, nxpk= 0, iat=1834, -1, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82,
igr2=2159,2160,2161,
&end
#
# 148 LYS H 151 LEU H 5.33
&rst
ixpk= 0, nxpk= 0, iat=2255,2313, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83, &end
#
# 121 THR H 122 MET H 4.37
&rst
ixpk= 0, nxpk= 0, iat=1834,1848, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87, &end
#
# 110 GLN H 121 THR H 4.07
&rst
ixpk= 0, nxpk= 0, iat=1662,1834, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57, &end
#
# 121 THR H 134 SER HA 5.01
&rst
ixpk= 0, nxpk= 0, iat=1834,2051, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51, &end
#
# 120 PHE HA 121 THR H 2.97
&rst
ixpk= 0, nxpk= 0, iat=1816,1834, r1= 1.30, r2= 1.80, r3= 2.97, r4= 3.47, &end
#
# 111 GLU HA 121 THR H 3.78
&rst
ixpk= 0, nxpk= 0, iat=1681,1834, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28, &end
#
# 121 THR H 121 THR HB 3.36
&rst
ixpk= 0, nxpk= 0, iat=1834,1838, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86, &end
#
# 120 PHE HB3 121 THR H 3.67
&rst
ixpk= 0, nxpk= 0, iat=1819,1834, r1= 1.30, r2= 1.80, r3= 3.67, r4= 4.17, &end
#
# 120 PHE HB2 121 THR H 4.36
&rst
ixpk= 0, nxpk= 0, iat=1818,1834, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86, &end
#
# 110 GLN HB3 121 THR H 3.83
&rst
ixpk= 0, nxpk= 0, iat=1667,1834, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33, &end
#
# 121 THR H 121 THR QG2 4.03
&rst
ixpk= 0, nxpk= 0, iat=1834, -1, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,
igr2=1840,1841,1842,
&end
#
# 110 GLN QG 121 THR H 4.98
&rst
ixpk= 0, nxpk= 0, iat= -1,1834, r1= 1.30, r2= 1.80, r3= 5.59, r4= 6.09,
igr1=1669,1670,
&end
#
# 111 GLU QB 121 THR H 4.99
&rst
ixpk= 0, nxpk= 0, iat= -1,1834, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,
igr1=1683,1684,
&end
#
# 106 TYR HB2 107 THR H 4.53
&rst
ixpk= 0, nxpk= 0, iat=1601,1618, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03, &end
#
# 144 ASN HA 148 LYS H 4.89
&rst
ixpk= 0, nxpk= 0, iat=2213,2255, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39, &end
#
# 146 ALA HA 148 LYS H 4.71
&rst
ixpk= 0, nxpk= 0, iat=2237,2255, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21, &end
#
# 145 ALA HA 148 LYS H 3.94
&rst
ixpk= 0, nxpk= 0, iat=2227,2255, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44, &end
#
# 148 LYS H 148 LYS QB 3.10
&rst
ixpk= 0, nxpk= 0, iat=2255, -1, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98,
igr2=2259,2260,
&end
#
# 148 LYS H 148 LYS HG2 2.99
&rst
ixpk= 0, nxpk= 0, iat=2255,2262, r1= 1.30, r2= 1.80, r3= 2.99, r4= 3.49, &end
#
# 147 ALA QB 148 LYS H 3.19
&rst
ixpk= 0, nxpk= 0, iat= -1,2255, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33,
igr1=2249,2250,2251,
&end
#
# 148 LYS H 148 LYS HG3 3.60
&rst
ixpk= 0, nxpk= 0, iat=2255,2263, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10, &end
#
# 106 TYR QD 107 THR H 4.32
&rst
ixpk= 0, nxpk= 0, iat= -1,1618, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
igr1=1605,1614,
&end
#
# 106 TYR HA 107 THR H 2.91
&rst
ixpk= 0, nxpk= 0, iat=1599,1618, r1= 1.30, r2= 1.80, r3= 2.91, r4= 3.41, &end
#
# 106 TYR HB3 107 THR H 3.76
&rst
ixpk= 0, nxpk= 0, iat=1602,1618, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26, &end
#
# 107 THR H 123 THR H 3.75
&rst
ixpk= 0, nxpk= 0, iat=1618,1865, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25, &end
#
# 107 THR H 108 VAL H 5.17
&rst
ixpk= 0, nxpk= 0, iat=1618,1632, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67, &end
#
# 107 THR H 122 MET HA 4.58
&rst
ixpk= 0, nxpk= 0, iat=1618,1850, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08, &end
#
# 107 THR H 123 THR HA 5.04
&rst
ixpk= 0, nxpk= 0, iat=1618,1867, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54, &end
#
# 123 THR H 124 CYS H 4.67
&rst
ixpk= 0, nxpk= 0, iat=1865,1879, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17, &end
#
# 109 THR H 123 THR H 4.24
&rst
ixpk= 0, nxpk= 0, iat=1648,1865, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74, &end
#
# 106 TYR HA 123 THR H 4.56
&rst
ixpk= 0, nxpk= 0, iat=1599,1865, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06, &end
#
# 122 MET HA 123 THR H 3.15
&rst
ixpk= 0, nxpk= 0, iat=1850,1865, r1= 1.30, r2= 1.80, r3= 3.15, r4= 3.65, &end
#
# 123 THR H 132 ILE HA 4.92
&rst
ixpk= 0, nxpk= 0, iat=1865,2025, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42, &end
#
# 107 THR HA 123 THR H 5.00
&rst
ixpk= 0, nxpk= 0, iat=1620,1865, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 123 THR H 123 THR HB 3.70
&rst
ixpk= 0, nxpk= 0, iat=1865,1869, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20, &end
#
# 122 MET QG 123 THR H 3.86
&rst
ixpk= 0, nxpk= 0, iat= -1,1865, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,
igr1=1855,1856,
&end
#
# 122 MET HB2 123 THR H 4.04
&rst
ixpk= 0, nxpk= 0, iat=1852,1865, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54, &end
#
# 122 MET HB3 123 THR H 4.04
&rst
ixpk= 0, nxpk= 0, iat=1853,1865, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54, &end
#
# 123 THR H 132 ILE QD1 5.50
&rst
ixpk= 0, nxpk= 0, iat=1865, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=2036,2037,2038,
&end
#
# 94 GLU H 96 VAL H 5.50
&rst
ixpk= 0, nxpk= 0, iat=1389,1423, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 94 GLU H 95 LEU H 4.28
&rst
ixpk= 0, nxpk= 0, iat=1389,1404, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78, &end
#
# 91 ALA HA 94 GLU H 4.31
&rst
ixpk= 0, nxpk= 0, iat=1345,1389, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81, &end
#
# 143 ARG H 144 ASN H 3.74
&rst
ixpk= 0, nxpk= 0, iat=2187,2211, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24, &end
#
# 144 ASN H 144 ASN HD22 4.80
&rst
ixpk= 0, nxpk= 0, iat=2211,2220, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, &end
#
# 133 GLY HA3 144 ASN H 4.98
&rst
ixpk= 0, nxpk= 0, iat=2045,2211, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48, &end
#
# 140 LEU HA 144 ASN H 4.49
&rst
ixpk= 0, nxpk= 0, iat=2138,2211, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99, &end
#
# 144 ASN H 145 ALA HA 5.35
&rst
ixpk= 0, nxpk= 0, iat=2211,2227, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85, &end
#
# 144 ASN H 144 ASN HB2 3.27
&rst
ixpk= 0, nxpk= 0, iat=2211,2215, r1= 1.30, r2= 1.80, r3= 3.27, r4= 3.77, &end
#
# 144 ASN H 144 ASN HB3 3.59
&rst
ixpk= 0, nxpk= 0, iat=2211,2216, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09, &end
#
# 143 ARG HB2 144 ASN H 4.32
&rst
ixpk= 0, nxpk= 0, iat=2191,2211, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82, &end
#
# 143 ARG HB3 144 ASN H 3.66
&rst
ixpk= 0, nxpk= 0, iat=2192,2211, r1= 1.30, r2= 1.80, r3= 3.66, r4= 4.16, &end
#
# 144 ASN H 146 ALA QB 4.79
&rst
ixpk= 0, nxpk= 0, iat=2211, -1, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25,
igr2=2239,2240,2241,
&end
#
# 141 ALA QB 144 ASN H 4.78
&rst
ixpk= 0, nxpk= 0, iat= -1,2211, r1= 1.30, r2= 1.80, r3= 5.74, r4= 6.24,
igr1=2159,2160,2161,
&end
#
# 144 ASN H 146 ALA H 4.59
&rst
ixpk= 0, nxpk= 0, iat=2211,2235, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09, &end
#
# 144 ASN H 144 ASN HD21 4.80
&rst
ixpk= 0, nxpk= 0, iat=2211,2221, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, &end
#
# 144 ASN H 145 ALA QB 4.48
&rst
ixpk= 0, nxpk= 0, iat=2211, -1, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88,
igr2=2229,2230,2231,
&end
#
# 96 VAL H 97 VAL H 3.80
&rst
ixpk= 0, nxpk= 0, iat=1423,1439, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end
#
# 95 LEU H 96 VAL H 3.65
&rst
ixpk= 0, nxpk= 0, iat=1404,1423, r1= 1.30, r2= 1.80, r3= 3.65, r4= 4.15, &end
#
# 93 GLN HA 96 VAL H 3.93
&rst
ixpk= 0, nxpk= 0, iat=1374,1423, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, &end
#
# 96 VAL H 96 VAL HB 3.42
&rst
ixpk= 0, nxpk= 0, iat=1423,1427, r1= 1.30, r2= 1.80, r3= 3.42, r4= 3.92, &end
#
# 95 LEU HB2 96 VAL H 3.78
&rst
ixpk= 0, nxpk= 0, iat=1408,1423, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28, &end
#
# 95 LEU HB3 96 VAL H 3.78
&rst
ixpk= 0, nxpk= 0, iat=1409,1423, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28, &end
#
# 96 VAL H 96 VAL QG1 3.86
&rst
ixpk= 0, nxpk= 0, iat=1423, -1, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,
igr2=1429,1430,1431,
&end
#
# 96 VAL H 153 VAL QG1 5.50
&rst
ixpk= 0, nxpk= 0, iat=1423, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=2362,2363,2364,
&end
#
# 96 VAL H 101 TRP HE3 4.72
&rst
ixpk= 0, nxpk= 0, iat=1423,1520, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, &end
#
# 96 VAL H 97 VAL HA 5.50
&rst
ixpk= 0, nxpk= 0, iat=1423,1441, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 97 VAL H 99 LYS H 4.59
&rst
ixpk= 0, nxpk= 0, iat=1439,1472, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09, &end
#
# 95 LEU HA 99 LYS H 4.07
&rst
ixpk= 0, nxpk= 0, iat=1406,1472, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57, &end
#
# 97 VAL HA 99 LYS H 4.88
&rst
ixpk= 0, nxpk= 0, iat=1441,1472, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38, &end
#
# 96 VAL HA 99 LYS H 4.12
&rst
ixpk= 0, nxpk= 0, iat=1425,1472, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62, &end
#
# 99 LYS H 99 LYS HG2 3.63
&rst
ixpk= 0, nxpk= 0, iat=1472,1479, r1= 1.30, r2= 1.80, r3= 3.63, r4= 4.13, &end
#
# 99 LYS H 99 LYS HB2 3.78
&rst
ixpk= 0, nxpk= 0, iat=1472,1476, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28, &end
#
# 99 LYS H 99 LYS HG3 3.63
&rst
ixpk= 0, nxpk= 0, iat=1472,1480, r1= 1.30, r2= 1.80, r3= 3.63, r4= 4.13, &end
#
# 99 LYS H 99 LYS HB3 3.78
&rst
ixpk= 0, nxpk= 0, iat=1472,1477, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28, &end
#
# 150 LEU H 151 LEU H 3.48
&rst
ixpk= 0, nxpk= 0, iat=2294,2313, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98, &end
#
# 151 LEU H 153 VAL H 4.64
&rst
ixpk= 0, nxpk= 0, iat=2313,2356, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14, &end
#
# 149 MET HA 151 LEU H 4.65
&rst
ixpk= 0, nxpk= 0, iat=2279,2313, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15, &end
#
# 148 LYS HA 151 LEU H 3.97
&rst
ixpk= 0, nxpk= 0, iat=2257,2313, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47, &end
#
# 151 LEU H 151 LEU HG 2.71
&rst
ixpk= 0, nxpk= 0, iat=2313,2320, r1= 1.30, r2= 1.80, r3= 2.71, r4= 3.21, &end
#
# 150 LEU HG 151 LEU H 5.05
&rst
ixpk= 0, nxpk= 0, iat=2301,2313, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, &end
#
# 151 LEU H 151 LEU HB2 3.05
&rst
ixpk= 0, nxpk= 0, iat=2313,2317, r1= 1.30, r2= 1.80, r3= 3.05, r4= 3.55, &end
#
# 134 SER H 135 GLY H 4.52
&rst
ixpk= 0, nxpk= 0, iat=2049,2060, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02, &end
#
# 134 SER H 145 ALA H 4.16
&rst
ixpk= 0, nxpk= 0, iat=2049,2225, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66, &end
#
# 134 SER H 144 ASN H 4.86
&rst
ixpk= 0, nxpk= 0, iat=2049,2211, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36, &end
#
# 121 THR HA 134 SER H 5.05
&rst
ixpk= 0, nxpk= 0, iat=1836,2049, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, &end
#
# 133 GLY HA3 134 SER H 2.89
&rst
ixpk= 0, nxpk= 0, iat=2045,2049, r1= 1.30, r2= 1.80, r3= 2.89, r4= 3.39, &end
#
# 134 SER H 144 ASN HB2 3.55
&rst
ixpk= 0, nxpk= 0, iat=2049,2215, r1= 1.30, r2= 1.80, r3= 3.55, r4= 4.05, &end
#
# 134 SER H 144 ASN HB3 3.38
&rst
ixpk= 0, nxpk= 0, iat=2049,2216, r1= 1.30, r2= 1.80, r3= 3.38, r4= 3.88, &end
#
# 134 SER H 141 ALA QB 4.33
&rst
ixpk= 0, nxpk= 0, iat=2049, -1, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,
igr2=2159,2160,2161,
&end
#
# 121 THR QG2 134 SER H 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,2049, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1=1840,1841,1842,
&end
#
# 132 ILE QG2 134 SER H 5.20
&rst
ixpk= 0, nxpk= 0, iat= -1,2049, r1= 1.30, r2= 1.80, r3= 6.24, r4= 6.74,
igr1=2029,2030,2031,
&end
#
# 87 ASN HD22 90 GLY HA2 5.17
&rst
ixpk= 0, nxpk= 0, iat=1301,1338, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67, &end
#
# 132 ILE H 133 GLY H 4.49
&rst
ixpk= 0, nxpk= 0, iat=2023,2042, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99, &end
#
# 133 GLY H 134 SER HA 4.90
&rst
ixpk= 0, nxpk= 0, iat=2042,2051, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40, &end
#
# 132 ILE HA 133 GLY H 2.97
&rst
ixpk= 0, nxpk= 0, iat=2025,2042, r1= 1.30, r2= 1.80, r3= 2.97, r4= 3.47, &end
#
# 123 THR HA 133 GLY H 3.67
&rst
ixpk= 0, nxpk= 0, iat=1867,2042, r1= 1.30, r2= 1.80, r3= 3.67, r4= 4.17, &end
#
# 122 MET HB2 133 GLY H 5.50
&rst
ixpk= 0, nxpk= 0, iat=1852,2042, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 121 THR QG2 133 GLY H 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,2042, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1=1840,1841,1842,
&end
#
# 122 MET H 133 GLY H 3.88
&rst
ixpk= 0, nxpk= 0, iat=1848,2042, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38, &end
#
# 133 GLY H 134 SER H 4.53
&rst
ixpk= 0, nxpk= 0, iat=2042,2049, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03, &end
#
# 133 GLY H 145 ALA HA 3.86
&rst
ixpk= 0, nxpk= 0, iat=2042,2227, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36, &end
#
# 133 GLY H 144 ASN HB2 5.50
&rst
ixpk= 0, nxpk= 0, iat=2042,2215, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 133 GLY H 144 ASN HB3 5.50
&rst
ixpk= 0, nxpk= 0, iat=2042,2216, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 122 MET HB3 133 GLY H 4.38
&rst
ixpk= 0, nxpk= 0, iat=1853,2042, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88, &end
#
# 133 GLY H 145 ALA QB 3.28
&rst
ixpk= 0, nxpk= 0, iat=2042, -1, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44,
igr2=2229,2230,2231,
&end
#
# 87 ASN HD21 90 GLY H 4.72
&rst
ixpk= 0, nxpk= 0, iat=1302,1336, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, &end
#
# 87 ASN HD21 90 GLY HA3 5.17
&rst
ixpk= 0, nxpk= 0, iat=1302,1339, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67, &end
#
# 87 ASN HD21 90 GLY HA2 5.17
&rst
ixpk= 0, nxpk= 0, iat=1302,1338, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67, &end
#
# 87 ASN HD22 90 GLY HA3 5.17
&rst
ixpk= 0, nxpk= 0, iat=1301,1339, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67, &end
#
# 153 VAL H 154 HIS HA 5.18
&rst
ixpk= 0, nxpk= 0, iat=2356,2374, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68, &end
#
# 149 MET HA 153 VAL H 4.27
&rst
ixpk= 0, nxpk= 0, iat=2279,2356, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77, &end
#
# 151 LEU HA 153 VAL H 4.78
&rst
ixpk= 0, nxpk= 0, iat=2315,2356, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28, &end
#
# 150 LEU HA 153 VAL H 3.82
&rst
ixpk= 0, nxpk= 0, iat=2296,2356, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32, &end
#
# 153 VAL H 154 HIS HB3 5.40
&rst
ixpk= 0, nxpk= 0, iat=2356,2377, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, &end
#
# 153 VAL H 153 VAL HB 3.74
&rst
ixpk= 0, nxpk= 0, iat=2356,2360, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24, &end
#
# 152 ARG HB2 153 VAL H 4.16
&rst
ixpk= 0, nxpk= 0, iat=2336,2356, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66, &end
#
# 152 ARG HB3 153 VAL H 3.54
&rst
ixpk= 0, nxpk= 0, iat=2337,2356, r1= 1.30, r2= 1.80, r3= 3.54, r4= 4.04, &end
#
# 152 ARG HG2 153 VAL H 4.48
&rst
ixpk= 0, nxpk= 0, iat=2339,2356, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98, &end
#
# 152 ARG HG3 153 VAL H 4.20
&rst
ixpk= 0, nxpk= 0, iat=2340,2356, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 153 VAL H 153 VAL QG2 2.94
&rst
ixpk= 0, nxpk= 0, iat=2356, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr2=2366,2367,2368,
&end
#
# 153 VAL H 153 VAL QG1 3.12
&rst
ixpk= 0, nxpk= 0, iat=2356, -1, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25,
igr2=2362,2363,2364,
&end
#
# 141 ALA HA 144 ASN HD21 4.75
&rst
ixpk= 0, nxpk= 0, iat=2157,2221, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25, &end
#
# 144 ASN HB2 144 ASN HD21 3.86
&rst
ixpk= 0, nxpk= 0, iat=2215,2221, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36, &end
#
# 140 LEU HG 144 ASN HD21 4.48
&rst
ixpk= 0, nxpk= 0, iat=2143,2221, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98, &end
#
# 140 LEU QD1 144 ASN HD21 4.95
&rst
ixpk= 0, nxpk= 0, iat= -1,2221, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr1=2145,2146,2147,
&end
#
# 140 LEU QD2 144 ASN HD21 4.95
&rst
ixpk= 0, nxpk= 0, iat= -1,2221, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr1=2149,2150,2151,
&end
#
# 110 GLN QG 110 GLN HE21 3.43
&rst
ixpk= 0, nxpk= 0, iat= -1,1675, r1= 1.30, r2= 1.80, r3= 3.85, r4= 4.35,
igr1=1669,1670,
&end
#
# 110 GLN HB3 110 GLN HE21 4.65
&rst
ixpk= 0, nxpk= 0, iat=1667,1675, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15, &end
#
# 110 GLN HB2 110 GLN HE21 4.80
&rst
ixpk= 0, nxpk= 0, iat=1666,1675, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, &end
#
# 110 GLN HE21 121 THR QG2 6.00
&rst
ixpk= 0, nxpk= 0, iat=1675, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2=1840,1841,1842,
&end
#
# 141 ALA HA 144 ASN HD22 4.75
&rst
ixpk= 0, nxpk= 0, iat=2157,2220, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25, &end
#
# 144 ASN HB2 144 ASN HD22 3.86
&rst
ixpk= 0, nxpk= 0, iat=2215,2220, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36, &end
#
# 140 LEU HG 144 ASN HD22 4.48
&rst
ixpk= 0, nxpk= 0, iat=2143,2220, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98, &end
#
# 140 LEU QD1 144 ASN HD22 4.95
&rst
ixpk= 0, nxpk= 0, iat= -1,2220, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr1=2145,2146,2147,
&end
#
# 140 LEU QD2 144 ASN HD22 4.95
&rst
ixpk= 0, nxpk= 0, iat= -1,2220, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr1=2149,2150,2151,
&end
#
# 110 GLN QG 110 GLN HE22 3.43
&rst
ixpk= 0, nxpk= 0, iat= -1,1674, r1= 1.30, r2= 1.80, r3= 3.85, r4= 4.35,
igr1=1669,1670,
&end
#
# 110 GLN HB2 110 GLN HE22 4.80
&rst
ixpk= 0, nxpk= 0, iat=1666,1674, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, &end
#
# 110 GLN HE22 121 THR QG2 6.00
&rst
ixpk= 0, nxpk= 0, iat=1674, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2=1840,1841,1842,
&end
#
# 137 SER H 138 LYS H 4.67
&rst
ixpk= 0, nxpk= 0, iat=2081,2092, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17, &end
#
# 137 SER H 139 LYS H 5.50
&rst
ixpk= 0, nxpk= 0, iat=2081,2114, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 136 THR H 137 SER H 3.36
&rst
ixpk= 0, nxpk= 0, iat=2067,2081, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86, &end
#
# 137 SER H 140 LEU H 4.00
&rst
ixpk= 0, nxpk= 0, iat=2081,2136, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 120 PHE QD 137 SER H 3.87
&rst
ixpk= 0, nxpk= 0, iat= -1,2081, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84,
igr1=1822,1830,
&end
#
# 135 GLY HA2 137 SER H 4.10
&rst
ixpk= 0, nxpk= 0, iat=2062,2081, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60, &end
#
# 119 GLU HA 137 SER H 5.11
&rst
ixpk= 0, nxpk= 0, iat=1801,2081, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61, &end
#
# 135 GLY HA3 137 SER H 4.10
&rst
ixpk= 0, nxpk= 0, iat=2063,2081, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60, &end
#
# 137 SER H 141 ALA HA 5.02
&rst
ixpk= 0, nxpk= 0, iat=2081,2157, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52, &end
#
# 120 PHE HB3 137 SER H 5.50
&rst
ixpk= 0, nxpk= 0, iat=1819,2081, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 137 SER H 140 LEU HB2 3.99
&rst
ixpk= 0, nxpk= 0, iat=2081,2140, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49, &end
#
# 137 SER H 140 LEU HB3 3.99
&rst
ixpk= 0, nxpk= 0, iat=2081,2141, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49, &end
#
# 137 SER H 140 LEU HG 4.35
&rst
ixpk= 0, nxpk= 0, iat=2081,2143, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85, &end
#
# 137 SER H 141 ALA QB 4.08
&rst
ixpk= 0, nxpk= 0, iat=2081, -1, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,
igr2=2159,2160,2161,
&end
#
# 136 THR QG2 137 SER H 4.19
&rst
ixpk= 0, nxpk= 0, iat= -1,2081, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,
igr1=2073,2074,2075,
&end
#
# 137 SER H 140 LEU QD1 4.73
&rst
ixpk= 0, nxpk= 0, iat=2081, -1, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18,
igr2=2145,2146,2147,
&end
#
# 137 SER H 140 LEU QD2 4.73
&rst
ixpk= 0, nxpk= 0, iat=2081, -1, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18,
igr2=2149,2150,2151,
&end
#
# 110 GLN HB3 110 GLN HE22 4.65
&rst
ixpk= 0, nxpk= 0, iat=1667,1674, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15, &end
#
# 135 GLY H 136 THR H 4.42
&rst
ixpk= 0, nxpk= 0, iat=2060,2067, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92, &end
#
# 120 PHE QD 136 THR H 5.05
&rst
ixpk= 0, nxpk= 0, iat= -1,2067, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1822,1830,
&end
#
# 136 THR H 136 THR HB 3.78
&rst
ixpk= 0, nxpk= 0, iat=2067,2071, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28, &end
#
# 135 GLY HA2 136 THR H 3.27
&rst
ixpk= 0, nxpk= 0, iat=2062,2067, r1= 1.30, r2= 1.80, r3= 3.27, r4= 3.77, &end
#
# 119 GLU HA 136 THR H 4.78
&rst
ixpk= 0, nxpk= 0, iat=1801,2067, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28, &end
#
# 135 GLY HA3 136 THR H 3.27
&rst
ixpk= 0, nxpk= 0, iat=2063,2067, r1= 1.30, r2= 1.80, r3= 3.27, r4= 3.77, &end
#
# 136 THR H 140 LEU HG 3.85
&rst
ixpk= 0, nxpk= 0, iat=2067,2143, r1= 1.30, r2= 1.80, r3= 3.85, r4= 4.35, &end
#
# 136 THR H 136 THR QG2 3.01
&rst
ixpk= 0, nxpk= 0, iat=2067, -1, r1= 1.30, r2= 1.80, r3= 3.61, r4= 4.11,
igr2=2073,2074,2075,
&end
#
# 136 THR H 140 LEU QD1 4.20
&rst
ixpk= 0, nxpk= 0, iat=2067, -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr2=2145,2146,2147,
&end
#
# 136 THR H 140 LEU QD2 4.20
&rst
ixpk= 0, nxpk= 0, iat=2067, -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr2=2149,2150,2151,
&end
#
# 87 ASN HD22 90 GLY H 4.72
&rst
ixpk= 0, nxpk= 0, iat=1301,1336, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, &end
#
# 90 GLY H 91 ALA QB 4.39
&rst
ixpk= 0, nxpk= 0, iat=1336, -1, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77,
igr2=1347,1348,1349,
&end
#
# 89 VAL QG1 90 GLY H 4.05
&rst
ixpk= 0, nxpk= 0, iat= -1,1336, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
igr1=1326,1327,1328,
&end
#
# 89 VAL QG2 90 GLY H 4.05
&rst
ixpk= 0, nxpk= 0, iat= -1,1336, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
igr1=1330,1331,1332,
&end
#
# 89 VAL H 90 GLY H 3.98
&rst
ixpk= 0, nxpk= 0, iat=1320,1336, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48, &end
#
# 88 PRO HD2 90 GLY H 4.70
&rst
ixpk= 0, nxpk= 0, iat=1307,1336, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, &end
#
# 89 VAL HB 90 GLY H 3.76
&rst
ixpk= 0, nxpk= 0, iat=1324,1336, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26, &end
#
# 112 SER HA 113 GLY H 2.78
&rst
ixpk= 0, nxpk= 0, iat=1696,1705, r1= 1.30, r2= 1.80, r3= 2.78, r4= 3.28, &end
#
# 113 GLY H 114 PRO HD2 3.90
&rst
ixpk= 0, nxpk= 0, iat=1705,1713, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40, &end
#
# 113 GLY H 114 PRO HD3 3.88
&rst
ixpk= 0, nxpk= 0, iat=1705,1714, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38, &end
#
# 121 THR H 135 GLY H 5.28
&rst
ixpk= 0, nxpk= 0, iat=1834,2060, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78, &end
#
# 135 GLY H 137 SER H 4.74
&rst
ixpk= 0, nxpk= 0, iat=2060,2081, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24, &end
#
# 120 PHE QD 135 GLY H 4.79
&rst
ixpk= 0, nxpk= 0, iat= -1,2060, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88,
igr1=1822,1830,
&end
#
# 134 SER HA 135 GLY H 2.91
&rst
ixpk= 0, nxpk= 0, iat=2051,2060, r1= 1.30, r2= 1.80, r3= 2.91, r4= 3.41, &end
#
# 121 THR HA 135 GLY H 3.84
&rst
ixpk= 0, nxpk= 0, iat=1836,2060, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34, &end
#
# 135 GLY H 136 THR HA 4.99
&rst
ixpk= 0, nxpk= 0, iat=2060,2069, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49, &end
#
# 119 GLU HA 135 GLY H 4.82
&rst
ixpk= 0, nxpk= 0, iat=1801,2060, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32, &end
#
# 135 GLY H 141 ALA HA 4.05
&rst
ixpk= 0, nxpk= 0, iat=2060,2157, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55, &end
#
# 120 PHE HB3 135 GLY H 4.96
&rst
ixpk= 0, nxpk= 0, iat=1819,2060, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46, &end
#
# 120 PHE HB2 135 GLY H 4.26
&rst
ixpk= 0, nxpk= 0, iat=1818,2060, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76, &end
#
# 119 GLU HG3 135 GLY H 4.20
&rst
ixpk= 0, nxpk= 0, iat=1807,2060, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 135 GLY H 141 ALA QB 3.12
&rst
ixpk= 0, nxpk= 0, iat=2060, -1, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25,
igr2=2159,2160,2161,
&end
#
# 121 THR QG2 135 GLY H 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,2060, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1=1840,1841,1842,
&end
#
# 120 PHE H 135 GLY H 3.68
&rst
ixpk= 0, nxpk= 0, iat=1814,2060, r1= 1.30, r2= 1.80, r3= 3.68, r4= 4.18, &end
#
# 134 SER HB2 135 GLY H 3.60
&rst
ixpk= 0, nxpk= 0, iat=2053,2060, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10, &end
#
# 119 GLU HG2 135 GLY H 4.20
&rst
ixpk= 0, nxpk= 0, iat=1806,2060, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 119 GLU HB3 135 GLY H 5.24
&rst
ixpk= 0, nxpk= 0, iat=1804,2060, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74, &end
#
# 135 GLY H 136 THR QG2 5.24
&rst
ixpk= 0, nxpk= 0, iat=2060, -1, r1= 1.30, r2= 1.80, r3= 6.29, r4= 6.79,
igr2=2073,2074,2075,
&end
#
# 100 GLY H 101 TRP H 3.09
&rst
ixpk= 0, nxpk= 0, iat=1494,1501, r1= 1.30, r2= 1.80, r3= 3.09, r4= 3.59, &end
#
# 99 LYS H 100 GLY H 3.27
&rst
ixpk= 0, nxpk= 0, iat=1472,1494, r1= 1.30, r2= 1.80, r3= 3.27, r4= 3.77, &end
#
# 100 GLY H 101 TRP HB2 4.64
&rst
ixpk= 0, nxpk= 0, iat=1494,1505, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14, &end
#
# 99 LYS HB2 100 GLY H 4.26
&rst
ixpk= 0, nxpk= 0, iat=1476,1494, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76, &end
#
# 100 GLY H 101 TRP HD1 4.87
&rst
ixpk= 0, nxpk= 0, iat=1494,1509, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37, &end
#
# 100 GLY H 101 TRP HA 5.02
&rst
ixpk= 0, nxpk= 0, iat=1494,1503, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52, &end
#
# 96 VAL HA 100 GLY H 5.21
&rst
ixpk= 0, nxpk= 0, iat=1425,1494, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71, &end
#
# 99 LYS HB3 100 GLY H 4.26
&rst
ixpk= 0, nxpk= 0, iat=1477,1494, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76, &end
#
# 87 ASN HA 87 ASN QD2 4.32
&rst
ixpk= 0, nxpk= 0, iat=1294, -1, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
igr2=1301,1302,
&end
#
# 87 ASN QB 87 ASN QD2 3.02
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30,
igr1=1296,1297,
igr2=1301,1302,
&end
#
# 87 ASN QB 90 GLY H 4.68
&rst
ixpk= 0, nxpk= 0, iat= -1,1336, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75,
igr1=1296,1297,
&end
#
# 87 ASN QB 91 ALA H 4.54
&rst
ixpk= 0, nxpk= 0, iat= -1,1343, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
igr1=1296,1297,
&end
#
# 87 ASN QD2 90 GLY H 4.06
&rst
ixpk= 0, nxpk= 0, iat= -1,1336, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06,
igr1=1301,1302,
&end
#
# 87 ASN QD2 90 GLY QA 3.62
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06,
igr1=1301,1302,
igr2=1338,1339,
&end
#
# 88 PRO HA 150 LEU QQD 3.20
&rst
ixpk= 0, nxpk= 0, iat=1316, -1, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81,
igr2=2303,2304,2305,2307,2308,2309,
&end
#
# 88 PRO QB 146 ALA H 5.34
&rst
ixpk= 0, nxpk= 0, iat= -1,2235, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr1=1313,1314,
&end
#
# 88 PRO QB 146 ALA QB 3.61
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37,
igr1=1313,1314,
igr2=2239,2240,2241,
&end
#
# 88 PRO QB 147 ALA H 3.70
&rst
ixpk= 0, nxpk= 0, iat= -1,2245, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65,
igr1=1313,1314,
&end
#
# 88 PRO QB 147 ALA HA 3.97
&rst
ixpk= 0, nxpk= 0, iat= -1,2247, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96,
igr1=1313,1314,
&end
#
# 88 PRO QB 147 ALA QB 3.35
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02,
igr1=1313,1314,
igr2=2249,2250,2251,
&end
#
# 88 PRO QB 150 LEU QQD 3.44
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71,
igr1=1313,1314,
igr2=2303,2304,2305,2307,2308,2309,
&end
#
# 88 PRO QG 146 ALA QB 3.84
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68,
igr1=1310,1311,
igr2=2239,2240,2241,
&end
#
# 88 PRO QG 147 ALA QB 3.84
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68,
igr1=1310,1311,
igr2=2249,2250,2251,
&end
#
# 89 VAL H 89 VAL QQG 3.43
&rst
ixpk= 0, nxpk= 0, iat=1320, -1, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
igr2=1326,1327,1328,1330,1331,1332,
&end
#
# 89 VAL HA 150 LEU QQD 4.63
&rst
ixpk= 0, nxpk= 0, iat=1322, -1, r1= 1.30, r2= 1.80, r3= 6.24, r4= 6.74,
igr2=2303,2304,2305,2307,2308,2309,
&end
#
# 89 VAL QQG 91 ALA H 5.44
&rst
ixpk= 0, nxpk= 0, iat= -1,1343, r1= 1.30, r2= 1.80, r3= 7.33, r4= 7.83,
igr1=1326,1327,1328,1330,1331,1332,
&end
#
# 89 VAL QQG 93 GLN H 4.97
&rst
ixpk= 0, nxpk= 0, iat= -1,1372, r1= 1.30, r2= 1.80, r3= 6.70, r4= 7.20,
igr1=1326,1327,1328,1330,1331,1332,
&end
#
# 89 VAL QQG 106 TYR QE 4.33
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.55, r4= 7.05,
igr1=1326,1327,1328,1330,1331,1332,
igr2=1607,1612,
&end
#
# 89 VAL QQG 106 TYR HH 4.24
&rst
ixpk= 0, nxpk= 0, iat= -1,1610, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,
igr1=1326,1327,1328,1330,1331,1332,
&end
#
# 89 VAL QQG 142 LYS H 5.39
&rst
ixpk= 0, nxpk= 0, iat= -1,2165, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
igr1=1326,1327,1328,1330,1331,1332,
&end
#
# 89 VAL QQG 142 LYS QG 3.05
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,
igr1=1326,1327,1328,1330,1331,1332,
igr2=2172,2173,
&end
#
# 89 VAL QQG 143 ARG H 4.32
&rst
ixpk= 0, nxpk= 0, iat= -1,2187, r1= 1.30, r2= 1.80, r3= 5.82, r4= 6.32,
igr1=1326,1327,1328,1330,1331,1332,
&end
#
# 89 VAL QQG 143 ARG HA 3.56
&rst
ixpk= 0, nxpk= 0, iat= -1,2189, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr1=1326,1327,1328,1330,1331,1332,
&end
#
# 89 VAL QQG 145 ALA H 5.44
&rst
ixpk= 0, nxpk= 0, iat= -1,2225, r1= 1.30, r2= 1.80, r3= 7.33, r4= 7.83,
igr1=1326,1327,1328,1330,1331,1332,
&end
#
# 89 VAL QQG 146 ALA H 4.04
&rst
ixpk= 0, nxpk= 0, iat= -1,2235, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95,
igr1=1326,1327,1328,1330,1331,1332,
&end
#
# 89 VAL QQG 146 ALA HA 5.19
&rst
ixpk= 0, nxpk= 0, iat= -1,2237, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,
igr1=1326,1327,1328,1330,1331,1332,
&end
#
# 89 VAL QQG 146 ALA QB 2.65
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79,
igr1=1326,1327,1328,1330,1331,1332,
igr2=2239,2240,2241,
&end
#
# 90 GLY H 150 LEU QQD 5.44
&rst
ixpk= 0, nxpk= 0, iat=1336, -1, r1= 1.30, r2= 1.80, r3= 7.33, r4= 7.83,
igr2=2303,2304,2305,2307,2308,2309,
&end
#
# 90 GLY QA 92 LEU H 4.69
&rst
ixpk= 0, nxpk= 0, iat= -1,1353, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76,
igr1=1338,1339,
&end
#
# 91 ALA QB 150 LEU QQD 2.69
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85,
igr1=1347,1348,1349,
igr2=2303,2304,2305,2307,2308,2309,
&end
#
# 92 LEU H 92 LEU QB 2.98
&rst
ixpk= 0, nxpk= 0, iat=1353, -1, r1= 1.30, r2= 1.80, r3= 3.34, r4= 3.84,
igr2=1357,1358,
&end
#
# 92 LEU H 92 LEU QQD 3.94
&rst
ixpk= 0, nxpk= 0, iat=1353, -1, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,
igr2=1362,1363,1364,1366,1367,1368,
&end
#
# 92 LEU HA 92 LEU QQD 4.01
&rst
ixpk= 0, nxpk= 0, iat=1355, -1, r1= 1.30, r2= 1.80, r3= 5.41, r4= 5.91,
igr2=1362,1363,1364,1366,1367,1368,
&end
#
# 92 LEU HA 150 LEU QQD 3.17
&rst
ixpk= 0, nxpk= 0, iat=1355, -1, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,
igr2=2303,2304,2305,2307,2308,2309,
&end
#
# 92 LEU QB 96 VAL H 5.34
&rst
ixpk= 0, nxpk= 0, iat= -1,1423, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr1=1357,1358,
&end
#
# 92 LEU QQD 93 GLN H 4.30
&rst
ixpk= 0, nxpk= 0, iat= -1,1372, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
igr1=1362,1363,1364,1366,1367,1368,
&end
#
# 92 LEU QQD 96 VAL H 4.45
&rst
ixpk= 0, nxpk= 0, iat= -1,1423, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1=1362,1363,1364,1366,1367,1368,
&end
#
# 92 LEU QQD 96 VAL QQG 3.29
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.98, r4= 6.48,
igr1=1362,1363,1364,1366,1367,1368,
igr2=1429,1430,1431,1433,1434,1435,
&end
#
# 92 LEU QQD 146 ALA H 4.84
&rst
ixpk= 0, nxpk= 0, iat= -1,2235, r1= 1.30, r2= 1.80, r3= 6.52, r4= 7.02,
igr1=1362,1363,1364,1366,1367,1368,
&end
#
# 92 LEU QQD 146 ALA HA 3.81
&rst
ixpk= 0, nxpk= 0, iat= -1,2237, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
igr1=1362,1363,1364,1366,1367,1368,
&end
#
# 92 LEU QQD 146 ALA QB 3.32
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,
igr1=1362,1363,1364,1366,1367,1368,
igr2=2239,2240,2241,
&end
#
# 92 LEU QQD 149 MET H 4.37
&rst
ixpk= 0, nxpk= 0, iat= -1,2277, r1= 1.30, r2= 1.80, r3= 5.89, r4= 6.39,
igr1=1362,1363,1364,1366,1367,1368,
&end
#
# 92 LEU QQD 149 MET QB 3.83
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
igr1=1362,1363,1364,1366,1367,1368,
igr2=2281,2282,
&end
#
# 92 LEU QD1 149 MET HB3 6.20
&rst
ixpk= 0, nxpk= 0, iat= -1,2282, r1= 1.30, r2= 1.80, r3= 7.45, r4= 7.95,
igr1=1362,1363,1364,
&end
#
# 92 LEU QD2 149 MET HB3 6.20
&rst
ixpk= 0, nxpk= 0, iat= -1,2282, r1= 1.30, r2= 1.80, r3= 7.45, r4= 7.95,
igr1=1366,1367,1368,
&end
#
# 92 LEU QQD 149 MET QG 4.01
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1362,1363,1364,1366,1367,1368,
igr2=2284,2285,
&end
#
# 92 LEU QQD 150 LEU H 4.24
&rst
ixpk= 0, nxpk= 0, iat= -1,2294, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,
igr1=1362,1363,1364,1366,1367,1368,
&end
#
# 92 LEU QQD 150 LEU HA 3.84
&rst
ixpk= 0, nxpk= 0, iat= -1,2296, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68,
igr1=1362,1363,1364,1366,1367,1368,
&end
#
# 93 GLN H 96 VAL QQG 4.59
&rst
ixpk= 0, nxpk= 0, iat=1372, -1, r1= 1.30, r2= 1.80, r3= 6.19, r4= 6.69,
igr2=1429,1430,1431,1433,1434,1435,
&end
#
# 93 GLN HA 96 VAL QQG 3.92
&rst
ixpk= 0, nxpk= 0, iat=1374, -1, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
igr2=1429,1430,1431,1433,1434,1435,
&end
#
# 95 LEU H 95 LEU QB 3.53
&rst
ixpk= 0, nxpk= 0, iat=1404, -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
igr2=1408,1409,
&end
#
# 95 LEU H 96 VAL QQG 4.60
&rst
ixpk= 0, nxpk= 0, iat=1404, -1, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70,
igr2=1429,1430,1431,1433,1434,1435,
&end
#
# 95 LEU H 150 LEU QQD 4.73
&rst
ixpk= 0, nxpk= 0, iat=1404, -1, r1= 1.30, r2= 1.80, r3= 6.38, r4= 6.88,
igr2=2303,2304,2305,2307,2308,2309,
&end
#
# 95 LEU HA 95 LEU QQD 2.85
&rst
ixpk= 0, nxpk= 0, iat=1406, -1, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34,
igr2=1413,1414,1415,1417,1418,1419,
&end
#
# 95 LEU QB 150 LEU QQD 4.42
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.69, r4= 7.19,
igr1=1408,1409,
igr2=2303,2304,2305,2307,2308,2309,
&end
#
# 95 LEU QB 153 VAL HB 5.27
&rst
ixpk= 0, nxpk= 0, iat= -1,2360, r1= 1.30, r2= 1.80, r3= 5.92, r4= 6.42,
igr1=1408,1409,
&end
#
# 95 LEU HG 99 LYS QE 4.12
&rst
ixpk= 0, nxpk= 0, iat=1411, -1, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
igr2=1485,1486,
&end
#
# 95 LEU QQD 96 VAL H 3.85
&rst
ixpk= 0, nxpk= 0, iat= -1,1423, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,
igr1=1413,1414,1415,1417,1418,1419,
&end
#
# 95 LEU QQD 96 VAL HA 4.15
&rst
ixpk= 0, nxpk= 0, iat= -1,1425, r1= 1.30, r2= 1.80, r3= 5.59, r4= 6.09,
igr1=1413,1414,1415,1417,1418,1419,
&end
#
# 95 LEU QQD 99 LYS QG 3.08
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,
igr1=1413,1414,1415,1417,1418,1419,
igr2=1479,1480,
&end
#
# 95 LEU QQD 99 LYS QE 2.94
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95,
igr1=1413,1414,1415,1417,1418,1419,
igr2=1485,1486,
&end
#
# 95 LEU QQD 101 TRP HZ3 4.58
&rst
ixpk= 0, nxpk= 0, iat= -1,1518, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1413,1414,1415,1417,1418,1419,
&end
#
# 95 LEU QQD 101 TRP HZ2 5.08
&rst
ixpk= 0, nxpk= 0, iat= -1,1514, r1= 1.30, r2= 1.80, r3= 6.85, r4= 7.35,
igr1=1413,1414,1415,1417,1418,1419,
&end
#
# 95 LEU QQD 126 VAL QQG 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.90, r4=11.40,
igr1=1413,1414,1415,1417,1418,1419,
igr2=1920,1921,1922,1924,1925,1926,
&end
#
# 95 LEU QQD 150 LEU HA 4.48
&rst
ixpk= 0, nxpk= 0, iat= -1,2296, r1= 1.30, r2= 1.80, r3= 6.04, r4= 6.54,
igr1=1413,1414,1415,1417,1418,1419,
&end
#
# 95 LEU QQD 153 VAL H 4.83
&rst
ixpk= 0, nxpk= 0, iat= -1,2356, r1= 1.30, r2= 1.80, r3= 6.51, r4= 7.01,
igr1=1413,1414,1415,1417,1418,1419,
&end
#
# 95 LEU QQD 153 VAL HA 4.41
&rst
ixpk= 0, nxpk= 0, iat= -1,2358, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr1=1413,1414,1415,1417,1418,1419,
&end
#
# 95 LEU QQD 153 VAL HB 3.58
&rst
ixpk= 0, nxpk= 0, iat= -1,2360, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
igr1=1413,1414,1415,1417,1418,1419,
&end
#
# 95 LEU QQD 153 VAL QG1 3.27
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79,
igr1=1413,1414,1415,1417,1418,1419,
igr2=2362,2363,2364,
&end
#
# 95 LEU QQD 153 VAL QG2 2.67
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82,
igr1=1413,1414,1415,1417,1418,1419,
igr2=2366,2367,2368,
&end
#
# 95 LEU QQD 154 HIS H 4.07
&rst
ixpk= 0, nxpk= 0, iat= -1,2372, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99,
igr1=1413,1414,1415,1417,1418,1419,
&end
#
# 95 LEU QQD 154 HIS HB2 3.69
&rst
ixpk= 0, nxpk= 0, iat= -1,2376, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47,
igr1=1413,1414,1415,1417,1418,1419,
&end
#
# 95 LEU QQD 154 HIS HD2 3.00
&rst
ixpk= 0, nxpk= 0, iat= -1,2385, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1=1413,1414,1415,1417,1418,1419,
&end
#
# 96 VAL H 96 VAL QQG 3.10
&rst
ixpk= 0, nxpk= 0, iat=1423, -1, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68,
igr2=1429,1430,1431,1433,1434,1435,
&end
#
# 96 VAL H 150 LEU QQD 5.44
&rst
ixpk= 0, nxpk= 0, iat=1423, -1, r1= 1.30, r2= 1.80, r3= 7.33, r4= 7.83,
igr2=2303,2304,2305,2307,2308,2309,
&end
#
# 96 VAL HA 99 LYS QB 4.40
&rst
ixpk= 0, nxpk= 0, iat=1425, -1, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
igr2=1476,1477,
&end
#
# 96 VAL HA 99 LYS QG 4.60
&rst
ixpk= 0, nxpk= 0, iat=1425, -1, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
igr2=1479,1480,
&end
#
# 96 VAL HB 126 VAL QQG 6.00
&rst
ixpk= 0, nxpk= 0, iat=1427, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr2=1920,1921,1922,1924,1925,1926,
&end
#
# 96 VAL QQG 97 VAL H 3.49
&rst
ixpk= 0, nxpk= 0, iat= -1,1439, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,
igr1=1429,1430,1431,1433,1434,1435,
&end
#
# 96 VAL QQG 100 GLY H 5.28
&rst
ixpk= 0, nxpk= 0, iat= -1,1494, r1= 1.30, r2= 1.80, r3= 7.12, r4= 7.62,
igr1=1429,1430,1431,1433,1434,1435,
&end
#
# 96 VAL QQG 101 TRP H 3.78
&rst
ixpk= 0, nxpk= 0, iat= -1,1501, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
igr1=1429,1430,1431,1433,1434,1435,
&end
#
# 96 VAL QQG 101 TRP HA 4.36
&rst
ixpk= 0, nxpk= 0, iat= -1,1503, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
igr1=1429,1430,1431,1433,1434,1435,
&end
#
# 96 VAL QQG 101 TRP HB2 3.71
&rst
ixpk= 0, nxpk= 0, iat= -1,1505, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
igr1=1429,1430,1431,1433,1434,1435,
&end
#
# 96 VAL QQG 101 TRP HB3 3.80
&rst
ixpk= 0, nxpk= 0, iat= -1,1506, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
igr1=1429,1430,1431,1433,1434,1435,
&end
#
# 96 VAL QQG 101 TRP HE3 3.58
&rst
ixpk= 0, nxpk= 0, iat= -1,1520, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
igr1=1429,1430,1431,1433,1434,1435,
&end
#
# 96 VAL QQG 101 TRP HZ3 4.13
&rst
ixpk= 0, nxpk= 0, iat= -1,1518, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07,
igr1=1429,1430,1431,1433,1434,1435,
&end
#
# 96 VAL QQG 102 ARG H 4.30
&rst
ixpk= 0, nxpk= 0, iat= -1,1525, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
igr1=1429,1430,1431,1433,1434,1435,
&end
#
# 96 VAL QQG 103 LEU HA 3.69
&rst
ixpk= 0, nxpk= 0, iat= -1,1551, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47,
igr1=1429,1430,1431,1433,1434,1435,
&end
#
# 96 VAL QQG 126 VAL HB 4.93
&rst
ixpk= 0, nxpk= 0, iat= -1,1918, r1= 1.30, r2= 1.80, r3= 6.65, r4= 7.15,
igr1=1429,1430,1431,1433,1434,1435,
&end
#
# 96 VAL QQG 126 VAL QQG 3.06
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
igr1=1429,1430,1431,1433,1434,1435,
igr2=1920,1921,1922,1924,1925,1926,
&end
#
# 96 VAL QQG 153 VAL QG1 4.94
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.00, r4= 8.50,
igr1=1429,1430,1431,1433,1434,1435,
igr2=2362,2363,2364,
&end
#
# 98 GLN H 99 LYS QG 5.04
&rst
ixpk= 0, nxpk= 0, iat=1455, -1, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
igr2=1479,1480,
&end
#
# 99 LYS H 99 LYS QB 3.08
&rst
ixpk= 0, nxpk= 0, iat=1472, -1, r1= 1.30, r2= 1.80, r3= 3.46, r4= 3.96,
igr2=1476,1477,
&end
#
# 99 LYS H 99 LYS QG 3.18
&rst
ixpk= 0, nxpk= 0, iat=1472, -1, r1= 1.30, r2= 1.80, r3= 3.57, r4= 4.07,
igr2=1479,1480,
&end
#
# 99 LYS H 99 LYS QD 4.18
&rst
ixpk= 0, nxpk= 0, iat=1472, -1, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19,
igr2=1482,1483,
&end
#
# 99 LYS HA 99 LYS QG 3.49
&rst
ixpk= 0, nxpk= 0, iat=1474, -1, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42,
igr2=1479,1480,
&end
#
# 99 LYS HA 99 LYS QE 5.34
&rst
ixpk= 0, nxpk= 0, iat=1474, -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr2=1485,1486,
&end
#
# 99 LYS QB 100 GLY H 3.56
&rst
ixpk= 0, nxpk= 0, iat= -1,1494, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
igr1=1476,1477,
&end
#
# 99 LYS QB 101 TRP H 3.60
&rst
ixpk= 0, nxpk= 0, iat= -1,1501, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1=1476,1477,
&end
#
# 99 LYS QB 101 TRP HD1 4.39
&rst
ixpk= 0, nxpk= 0, iat= -1,1509, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43,
igr1=1476,1477,
&end
#
# 99 LYS QB 101 TRP HE1 3.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1511, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1476,1477,
&end
#
# 99 LYS QG 99 LYS QE 3.24
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58,
igr1=1479,1480,
igr2=1485,1486,
&end
#
# 99 LYS QG 100 GLY H 4.52
&rst
ixpk= 0, nxpk= 0, iat= -1,1494, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,
igr1=1479,1480,
&end
#
# 99 LYS QD 101 TRP HH2 4.58
&rst
ixpk= 0, nxpk= 0, iat= -1,1516, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
igr1=1482,1483,
&end
#
# 99 LYS QE 101 TRP HZ2 3.78
&rst
ixpk= 0, nxpk= 0, iat= -1,1514, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1=1485,1486,
&end
#
# 99 LYS QE 101 TRP HH2 3.69
&rst
ixpk= 0, nxpk= 0, iat= -1,1516, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64,
igr1=1485,1486,
&end
#
# 99 LYS QE 153 VAL QG1 4.69
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.32, r4= 6.82,
igr1=1485,1486,
igr2=2362,2363,2364,
&end
#
# 101 TRP HB3 126 VAL QQG 6.00
&rst
ixpk= 0, nxpk= 0, iat=1506, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr2=1920,1921,1922,1924,1925,1926,
&end
#
# 101 TRP HE3 126 VAL QQG 3.41
&rst
ixpk= 0, nxpk= 0, iat=1520, -1, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
igr2=1920,1921,1922,1924,1925,1926,
&end
#
# 101 TRP HZ3 126 VAL QQG 3.98
&rst
ixpk= 0, nxpk= 0, iat=1518, -1, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,
igr2=1920,1921,1922,1924,1925,1926,
&end
#
# 101 TRP HH2 126 VAL QQG 6.00
&rst
ixpk= 0, nxpk= 0, iat=1516, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr2=1920,1921,1922,1924,1925,1926,
&end
#
# 102 ARG H 102 ARG QB 3.02
&rst
ixpk= 0, nxpk= 0, iat=1525, -1, r1= 1.30, r2= 1.80, r3= 3.39, r4= 3.89,
igr2=1529,1530,
&end
#
# 102 ARG H 126 VAL QQG 5.44
&rst
ixpk= 0, nxpk= 0, iat=1525, -1, r1= 1.30, r2= 1.80, r3= 7.33, r4= 7.83,
igr2=1920,1921,1922,1924,1925,1926,
&end
#
# 102 ARG QB 102 ARG QD 2.71
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.41, r4= 3.91,
igr1=1529,1530,
igr2=1535,1536,
&end
#
# 104 PRO HA 126 VAL QQG 3.53
&rst
ixpk= 0, nxpk= 0, iat=1578, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr2=1920,1921,1922,1924,1925,1926,
&end
#
# 104 PRO QB 126 VAL QQG 4.10
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70,
igr1=1575,1576,
igr2=1920,1921,1922,1924,1925,1926,
&end
#
# 104 PRO HG2 126 VAL QQG 6.00
&rst
ixpk= 0, nxpk= 0, iat=1572, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr2=1920,1921,1922,1924,1925,1926,
&end
#
# 104 PRO HG3 126 VAL QQG 6.00
&rst
ixpk= 0, nxpk= 0, iat=1573, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr2=1920,1921,1922,1924,1925,1926,
&end
#
# 104 PRO HD3 126 VAL QQG 6.00
&rst
ixpk= 0, nxpk= 0, iat=1570, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr2=1920,1921,1922,1924,1925,1926,
&end
#
# 105 GLU H 105 GLU QG 4.22
&rst
ixpk= 0, nxpk= 0, iat=1582, -1, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,
igr2=1589,1590,
&end
#
# 105 GLU H 125 ARG QG 5.28
&rst
ixpk= 0, nxpk= 0, iat=1582, -1, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43,
igr2=1897,1898,
&end
#
# 105 GLU H 126 VAL QQG 4.09
&rst
ixpk= 0, nxpk= 0, iat=1582, -1, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01,
igr2=1920,1921,1922,1924,1925,1926,
&end
#
# 105 GLU QB 106 TYR H 3.99
&rst
ixpk= 0, nxpk= 0, iat= -1,1597, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98,
igr1=1586,1587,
&end
#
# 105 GLU QB 125 ARG H 3.81
&rst
ixpk= 0, nxpk= 0, iat= -1,1890, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78,
igr1=1586,1587,
&end
#
# 105 GLU QB 125 ARG HB3 3.77
&rst
ixpk= 0, nxpk= 0, iat= -1,1895, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73,
igr1=1586,1587,
&end
#
# 106 TYR QE 124 CYS QB 3.88
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39,
igr1=1607,1612,
igr2=1883,1884,
&end
#
# 107 THR HA 108 VAL QQG 3.62
&rst
ixpk= 0, nxpk= 0, iat=1620, -1, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,
igr2=1638,1639,1640,1642,1643,1644,
&end
#
# 108 VAL H 108 VAL QQG 3.19
&rst
ixpk= 0, nxpk= 0, iat=1632, -1, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,
igr2=1638,1639,1640,1642,1643,1644,
&end
#
# 108 VAL QQG 109 THR H 3.63
&rst
ixpk= 0, nxpk= 0, iat= -1,1648, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39,
igr1=1638,1639,1640,1642,1643,1644,
&end
#
# 108 VAL QQG 109 THR HA 4.39
&rst
ixpk= 0, nxpk= 0, iat= -1,1650, r1= 1.30, r2= 1.80, r3= 5.92, r4= 6.42,
igr1=1638,1639,1640,1642,1643,1644,
&end
#
# 108 VAL QQG 110 GLN H 3.21
&rst
ixpk= 0, nxpk= 0, iat= -1,1662, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,
igr1=1638,1639,1640,1642,1643,1644,
&end
#
# 108 VAL QQG 110 GLN HB2 4.85
&rst
ixpk= 0, nxpk= 0, iat= -1,1666, r1= 1.30, r2= 1.80, r3= 6.54, r4= 7.04,
igr1=1638,1639,1640,1642,1643,1644,
&end
#
# 108 VAL QQG 110 GLN HB3 4.07
&rst
ixpk= 0, nxpk= 0, iat= -1,1667, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99,
igr1=1638,1639,1640,1642,1643,1644,
&end
#
# 108 VAL QQG 120 PHE HA 4.51
&rst
ixpk= 0, nxpk= 0, iat= -1,1816, r1= 1.30, r2= 1.80, r3= 6.08, r4= 6.58,
igr1=1638,1639,1640,1642,1643,1644,
&end
#
# 108 VAL QQG 120 PHE HB3 4.22
&rst
ixpk= 0, nxpk= 0, iat= -1,1819, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
igr1=1638,1639,1640,1642,1643,1644,
&end
#
# 108 VAL QQG 120 PHE QD 3.35
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,
igr1=1638,1639,1640,1642,1643,1644,
igr2=1822,1830,
&end
#
# 108 VAL QQG 120 PHE QE 4.42
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.69, r4= 7.19,
igr1=1638,1639,1640,1642,1643,1644,
igr2=1824,1828,
&end
#
# 108 VAL QQG 121 THR H 3.95
&rst
ixpk= 0, nxpk= 0, iat= -1,1834, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82,
igr1=1638,1639,1640,1642,1643,1644,
&end
#
# 108 VAL QQG 121 THR HB 4.67
&rst
ixpk= 0, nxpk= 0, iat= -1,1838, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1=1638,1639,1640,1642,1643,1644,
&end
#
# 108 VAL QQG 122 MET HA 3.84
&rst
ixpk= 0, nxpk= 0, iat= -1,1850, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68,
igr1=1638,1639,1640,1642,1643,1644,
&end
#
# 108 VAL QQG 122 MET HB3 4.94
&rst
ixpk= 0, nxpk= 0, iat= -1,1853, r1= 1.30, r2= 1.80, r3= 6.66, r4= 7.16,
igr1=1638,1639,1640,1642,1643,1644,
&end
#
# 108 VAL QQG 122 MET QG 3.89
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.89, r4= 6.39,
igr1=1638,1639,1640,1642,1643,1644,
igr2=1855,1856,
&end
#
# 108 VAL QQG 122 MET QE 2.67
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82,
igr1=1638,1639,1640,1642,1643,1644,
igr2=1859,1860,1861,
&end
#
# 108 VAL QQG 138 LYS QG 3.99
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.04, r4= 6.54,
igr1=1638,1639,1640,1642,1643,1644,
igr2=2099,2100,
&end
#
# 108 VAL QQG 138 LYS QD 3.52
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83,
igr1=1638,1639,1640,1642,1643,1644,
igr2=2102,2103,
&end
#
# 108 VAL QQG 138 LYS QE 3.95
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.98, r4= 6.48,
igr1=1638,1639,1640,1642,1643,1644,
igr2=2105,2106,
&end
#
# 110 GLN HB2 110 GLN QE2 4.22
&rst
ixpk= 0, nxpk= 0, iat=1666, -1, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,
igr2=1674,1675,
&end
#
# 110 GLN HB3 110 GLN QE2 4.07
&rst
ixpk= 0, nxpk= 0, iat=1667, -1, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07,
igr2=1674,1675,
&end
#
# 110 GLN QG 110 GLN QE2 2.98
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25,
igr1=1669,1670,
igr2=1674,1675,
&end
#
# 110 GLN QE2 111 GLU H 5.34
&rst
ixpk= 0, nxpk= 0, iat= -1,1679, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr1=1674,1675,
&end
#
# 112 SER H 112 SER QB 3.41
&rst
ixpk= 0, nxpk= 0, iat=1694, -1, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33,
igr2=1698,1699,
&end
#
# 112 SER QB 113 GLY H 3.14
&rst
ixpk= 0, nxpk= 0, iat= -1,1705, r1= 1.30, r2= 1.80, r3= 3.52, r4= 4.02,
igr1=1698,1699,
&end
#
# 112 SER QB 119 GLU HB2 4.21
&rst
ixpk= 0, nxpk= 0, iat= -1,1803, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,
igr1=1698,1699,
&end
#
# 112 SER QB 119 GLU HB3 4.58
&rst
ixpk= 0, nxpk= 0, iat= -1,1804, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
igr1=1698,1699,
&end
#
# 114 PRO QG 115 ALA H 4.77
&rst
ixpk= 0, nxpk= 0, iat= -1,1726, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85,
igr1=1716,1717,
&end
#
# 114 PRO QG 116 HIS HE1 3.84
&rst
ixpk= 0, nxpk= 0, iat= -1,1745, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81,
igr1=1716,1717,
&end
#
# 114 PRO QG 117 ARG H 4.56
&rst
ixpk= 0, nxpk= 0, iat= -1,1753, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
igr1=1716,1717,
&end
#
# 115 ALA HA 118 LYS QG 4.57
&rst
ixpk= 0, nxpk= 0, iat=1728, -1, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63,
igr2=1784,1785,
&end
#
# 115 ALA HA 118 LYS QE 4.51
&rst
ixpk= 0, nxpk= 0, iat=1728, -1, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,
igr2=1790,1791,
&end
#
# 117 ARG H 118 LYS QG 5.32
&rst
ixpk= 0, nxpk= 0, iat=1753, -1, r1= 1.30, r2= 1.80, r3= 5.97, r4= 6.47,
igr2=1784,1785,
&end
#
# 117 ARG QB 117 ARG QD 3.32
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68,
igr1=1757,1758,
igr2=1763,1764,
&end
#
# 118 LYS H 118 LYS QB 3.68
&rst
ixpk= 0, nxpk= 0, iat=1777, -1, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63,
igr2=1781,1782,
&end
#
# 118 LYS H 118 LYS QG 4.01
&rst
ixpk= 0, nxpk= 0, iat=1777, -1, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,
igr2=1784,1785,
&end
#
# 118 LYS HA 118 LYS QD 4.03
&rst
ixpk= 0, nxpk= 0, iat=1779, -1, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02,
igr2=1787,1788,
&end
#
# 118 LYS QB 119 GLU H 3.55
&rst
ixpk= 0, nxpk= 0, iat= -1,1799, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48,
igr1=1781,1782,
&end
#
# 118 LYS QD 119 GLU H 3.56
&rst
ixpk= 0, nxpk= 0, iat= -1,1799, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
igr1=1787,1788,
&end
#
# 118 LYS QD 119 GLU QG 5.18
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.53, r4= 7.03,
igr1=1787,1788,
igr2=1806,1807,
&end
#
# 118 LYS QD 120 PHE QE 3.99
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,
igr1=1787,1788,
igr2=1824,1828,
&end
#
# 118 LYS QE 120 PHE QE 3.81
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr1=1790,1791,
igr2=1824,1828,
&end
#
# 118 LYS QE 120 PHE HZ 5.26
&rst
ixpk= 0, nxpk= 0, iat= -1,1826, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,
igr1=1790,1791,
&end
#
# 119 GLU H 119 GLU QG 4.31
&rst
ixpk= 0, nxpk= 0, iat=1799, -1, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,
igr2=1806,1807,
&end
#
# 119 GLU HA 119 GLU QG 3.71
&rst
ixpk= 0, nxpk= 0, iat=1801, -1, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66,
igr2=1806,1807,
&end
#
# 119 GLU QG 120 PHE H 3.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1814, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1806,1807,
&end
#
# 119 GLU QG 120 PHE QD 4.81
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.06, r4= 6.56,
igr1=1806,1807,
igr2=1822,1830,
&end
#
# 119 GLU QG 134 SER QB 3.81
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr1=1806,1807,
igr2=2053,2054,
&end
#
# 119 GLU QG 135 GLY QA 4.74
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.97, r4= 6.47,
igr1=1806,1807,
igr2=2062,2063,
&end
#
# 119 GLU QG 136 THR QG2 3.96
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
igr1=1806,1807,
igr2=2073,2074,2075,
&end
#
# 120 PHE H 134 SER QB 5.02
&rst
ixpk= 0, nxpk= 0, iat=1814, -1, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13,
igr2=2053,2054,
&end
#
# 120 PHE H 135 GLY QA 4.64
&rst
ixpk= 0, nxpk= 0, iat=1814, -1, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71,
igr2=2062,2063,
&end
#
# 121 THR H 134 SER QB 5.18
&rst
ixpk= 0, nxpk= 0, iat=1834, -1, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31,
igr2=2053,2054,
&end
#
# 121 THR HA 134 SER QB 3.90
&rst
ixpk= 0, nxpk= 0, iat=1836, -1, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,
igr2=2053,2054,
&end
#
# 121 THR QG2 134 SER QB 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1=1840,1841,1842,
igr2=2053,2054,
&end
#
# 122 MET H 134 SER QB 4.87
&rst
ixpk= 0, nxpk= 0, iat=1848, -1, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
igr2=2053,2054,
&end
#
# 122 MET QE 138 LYS QG 3.59
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,
igr1=1859,1860,1861,
igr2=2099,2100,
&end
#
# 122 MET QE 138 LYS QD 3.27
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1859,1860,1861,
igr2=2102,2103,
&end
#
# 122 MET QE 138 LYS QE 4.49
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
igr1=1859,1860,1861,
igr2=2105,2106,
&end
#
# 122 MET QE 142 LYS QB 3.15
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75,
igr1=1859,1860,1861,
igr2=2169,2170,
&end
#
# 122 MET QE 142 LYS QG 4.17
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.62, r4= 6.12,
igr1=1859,1860,1861,
igr2=2172,2173,
&end
#
# 122 MET QE 142 LYS QD 4.75
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.40, r4= 6.90,
igr1=1859,1860,1861,
igr2=2175,2176,
&end
#
# 123 THR QG2 125 ARG QG 5.02
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.77, r4= 7.27,
igr1=1871,1872,1873,
igr2=1897,1898,
&end
#
# 124 CYS H 124 CYS QB 3.40
&rst
ixpk= 0, nxpk= 0, iat=1879, -1, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32,
igr2=1883,1884,
&end
#
# 124 CYS QB 145 ALA QB 3.55
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,
igr1=1883,1884,
igr2=2229,2230,2231,
&end
#
# 124 CYS QB 146 ALA H 5.32
&rst
ixpk= 0, nxpk= 0, iat= -1,2235, r1= 1.30, r2= 1.80, r3= 5.97, r4= 6.47,
igr1=1883,1884,
&end
#
# 124 CYS QB 149 MET QE 5.16
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.96, r4= 7.46,
igr1=1883,1884,
igr2=2288,2289,2290,
&end
#
# 125 ARG H 125 ARG QG 4.76
&rst
ixpk= 0, nxpk= 0, iat=1890, -1, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
igr2=1897,1898,
&end
#
# 125 ARG H 126 VAL QQG 4.35
&rst
ixpk= 0, nxpk= 0, iat=1890, -1, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36,
igr2=1920,1921,1922,1924,1925,1926,
&end
#
# 125 ARG QG 126 VAL H 3.80
&rst
ixpk= 0, nxpk= 0, iat= -1,1914, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,
igr1=1897,1898,
&end
#
# 125 ARG QG 130 ILE QG2 3.29
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93,
igr1=1897,1898,
igr2=1995,1996,1997,
&end
#
# 125 ARG QG 130 ILE HG12 3.95
&rst
ixpk= 0, nxpk= 0, iat= -1,1999, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93,
igr1=1897,1898,
&end
#
# 125 ARG QG 130 ILE QD1 3.07
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64,
igr1=1897,1898,
igr2=2002,2003,2004,
&end
#
# 126 VAL H 126 VAL QQG 3.34
&rst
ixpk= 0, nxpk= 0, iat=1914, -1, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,
igr2=1920,1921,1922,1924,1925,1926,
&end
#
# 126 VAL QQG 127 GLU H 3.27
&rst
ixpk= 0, nxpk= 0, iat= -1,1930, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1920,1921,1922,1924,1925,1926,
&end
#
# 126 VAL QQG 127 GLU HA 4.27
&rst
ixpk= 0, nxpk= 0, iat= -1,1932, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26,
igr1=1920,1921,1922,1924,1925,1926,
&end
#
# 126 VAL QQG 128 ARG H 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1945, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1=1920,1921,1922,1924,1925,1926,
&end
#
# 126 VAL QQG 129 PHE H 3.53
&rst
ixpk= 0, nxpk= 0, iat= -1,1969, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr1=1920,1921,1922,1924,1925,1926,
&end
#
# 126 VAL QQG 129 PHE QD 3.39
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63,
igr1=1920,1921,1922,1924,1925,1926,
igr2=1977,1985,
&end
#
# 126 VAL QQG 129 PHE QE 4.04
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.11, r4= 6.61,
igr1=1920,1921,1922,1924,1925,1926,
igr2=1979,1983,
&end
#
# 126 VAL QQG 130 ILE H 5.44
&rst
ixpk= 0, nxpk= 0, iat= -1,1989, r1= 1.30, r2= 1.80, r3= 7.33, r4= 7.83,
igr1=1920,1921,1922,1924,1925,1926,
&end
#
# 126 VAL QQG 149 MET QE 2.79
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02,
igr1=1920,1921,1922,1924,1925,1926,
igr2=2288,2289,2290,
&end
#
# 126 VAL QQG 153 VAL QG1 3.08
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49,
igr1=1920,1921,1922,1924,1925,1926,
igr2=2362,2363,2364,
&end
#
# 128 ARG QB 128 ARG QD 3.07
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37,
igr1=1949,1950,
igr2=1955,1956,
&end
#
# 128 ARG QB 129 PHE H 4.12
&rst
ixpk= 0, nxpk= 0, iat= -1,1969, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
igr1=1949,1950,
&end
#
# 134 SER H 134 SER QB 3.29
&rst
ixpk= 0, nxpk= 0, iat=2049, -1, r1= 1.30, r2= 1.80, r3= 3.69, r4= 4.19,
igr2=2053,2054,
&end
#
# 134 SER H 144 ASN QD2 4.15
&rst
ixpk= 0, nxpk= 0, iat=2049, -1, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,
igr2=2220,2221,
&end
#
# 134 SER HA 135 GLY QA 4.47
&rst
ixpk= 0, nxpk= 0, iat=2051, -1, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52,
igr2=2062,2063,
&end
#
# 134 SER QB 135 GLY H 3.04
&rst
ixpk= 0, nxpk= 0, iat= -1,2060, r1= 1.30, r2= 1.80, r3= 3.41, r4= 3.91,
igr1=2053,2054,
&end
#
# 134 SER QB 135 GLY QA 4.17
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75,
igr1=2053,2054,
igr2=2062,2063,
&end
#
# 134 SER QB 141 ALA QB 4.24
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,
igr1=2053,2054,
igr2=2159,2160,2161,
&end
#
# 134 SER QB 144 ASN HB3 5.34
&rst
ixpk= 0, nxpk= 0, iat= -1,2216, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr1=2053,2054,
&end
#
# 135 GLY QA 136 THR HA 4.63
&rst
ixpk= 0, nxpk= 0, iat= -1,2069, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,
igr1=2062,2063,
&end
#
# 135 GLY QA 136 THR QG2 4.49
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
igr1=2062,2063,
igr2=2073,2074,2075,
&end
#
# 135 GLY QA 137 SER H 3.59
&rst
ixpk= 0, nxpk= 0, iat= -1,2081, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53,
igr1=2062,2063,
&end
#
# 135 GLY QA 140 LEU QB 4.12
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,
igr1=2062,2063,
igr2=2140,2141,
&end
#
# 135 GLY QA 140 LEU HG 3.82
&rst
ixpk= 0, nxpk= 0, iat= -1,2143, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79,
igr1=2062,2063,
&end
#
# 135 GLY QA 140 LEU QQD 3.15
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,
igr1=2062,2063,
igr2=2145,2146,2147,2149,2150,2151,
&end
#
# 135 GLY QA 141 ALA H 4.83
&rst
ixpk= 0, nxpk= 0, iat= -1,2155, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,
igr1=2062,2063,
&end
#
# 135 GLY QA 141 ALA HA 4.38
&rst
ixpk= 0, nxpk= 0, iat= -1,2157, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,
igr1=2062,2063,
&end
#
# 135 GLY QA 141 ALA QB 4.26
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.74, r4= 6.24,
igr1=2062,2063,
igr2=2159,2160,2161,
&end
#
# 135 GLY QA 144 ASN QD2 3.44
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,
igr1=2062,2063,
igr2=2220,2221,
&end
#
# 136 THR H 140 LEU QB 4.00
&rst
ixpk= 0, nxpk= 0, iat=2067, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2=2140,2141,
&end
#
# 136 THR H 140 LEU QQD 3.41
&rst
ixpk= 0, nxpk= 0, iat=2067, -1, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
igr2=2145,2146,2147,2149,2150,2151,
&end
#
# 136 THR QG2 140 LEU QQD 3.79
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.14, r4= 6.64,
igr1=2073,2074,2075,
igr2=2145,2146,2147,2149,2150,2151,
&end
#
# 137 SER H 137 SER QB 3.69
&rst
ixpk= 0, nxpk= 0, iat=2081, -1, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64,
igr2=2085,2086,
&end
#
# 137 SER H 140 LEU QB 3.22
&rst
ixpk= 0, nxpk= 0, iat=2081, -1, r1= 1.30, r2= 1.80, r3= 3.61, r4= 4.11,
igr2=2140,2141,
&end
#
# 137 SER H 140 LEU QQD 3.52
&rst
ixpk= 0, nxpk= 0, iat=2081, -1, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,
igr2=2145,2146,2147,2149,2150,2151,
&end
#
# 137 SER QB 138 LYS H 3.76
&rst
ixpk= 0, nxpk= 0, iat= -1,2092, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72,
igr1=2085,2086,
&end
#
# 137 SER QB 139 LYS H 4.29
&rst
ixpk= 0, nxpk= 0, iat= -1,2114, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32,
igr1=2085,2086,
&end
#
# 137 SER QB 140 LEU H 4.52
&rst
ixpk= 0, nxpk= 0, iat= -1,2136, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,
igr1=2085,2086,
&end
#
# 138 LYS H 138 LYS QB 3.43
&rst
ixpk= 0, nxpk= 0, iat=2092, -1, r1= 1.30, r2= 1.80, r3= 3.85, r4= 4.35,
igr2=2096,2097,
&end
#
# 138 LYS H 140 LEU QB 5.34
&rst
ixpk= 0, nxpk= 0, iat=2092, -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr2=2140,2141,
&end
#
# 138 LYS QB 139 LYS H 3.15
&rst
ixpk= 0, nxpk= 0, iat= -1,2114, r1= 1.30, r2= 1.80, r3= 3.54, r4= 4.04,
igr1=2096,2097,
&end
#
# 138 LYS QG 139 LYS H 3.97
&rst
ixpk= 0, nxpk= 0, iat= -1,2114, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96,
igr1=2099,2100,
&end
#
# 138 LYS QE 139 LYS H 5.34
&rst
ixpk= 0, nxpk= 0, iat= -1,2114, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr1=2105,2106,
&end
#
# 140 LEU H 140 LEU QB 2.80
&rst
ixpk= 0, nxpk= 0, iat=2136, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2=2140,2141,
&end
#
# 140 LEU H 140 LEU QQD 3.74
&rst
ixpk= 0, nxpk= 0, iat=2136, -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr2=2145,2146,2147,2149,2150,2151,
&end
#
# 140 LEU HA 140 LEU QQD 2.81
&rst
ixpk= 0, nxpk= 0, iat=2138, -1, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29,
igr2=2145,2146,2147,2149,2150,2151,
&end
#
# 140 LEU HA 143 ARG QD 4.42
&rst
ixpk= 0, nxpk= 0, iat=2138, -1, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,
igr2=2197,2198,
&end
#
# 140 LEU QB 140 LEU QQD 2.49
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1=2140,2141,
igr2=2145,2146,2147,2149,2150,2151,
&end
#
# 140 LEU QB 141 ALA H 3.32
&rst
ixpk= 0, nxpk= 0, iat= -1,2155, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23,
igr1=2140,2141,
&end
#
# 140 LEU HG 143 ARG QG 4.60
&rst
ixpk= 0, nxpk= 0, iat=2143, -1, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
igr2=2194,2195,
&end
#
# 140 LEU HG 144 ASN QD2 3.75
&rst
ixpk= 0, nxpk= 0, iat=2143, -1, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71,
igr2=2220,2221,
&end
#
# 140 LEU QQD 141 ALA H 3.94
&rst
ixpk= 0, nxpk= 0, iat= -1,2155, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,
igr1=2145,2146,2147,2149,2150,2151,
&end
#
# 140 LEU QQD 141 ALA QB 5.08
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.22, r4= 8.72,
igr1=2145,2146,2147,2149,2150,2151,
igr2=2159,2160,2161,
&end
#
# 140 LEU QQD 143 ARG HA 5.44
&rst
ixpk= 0, nxpk= 0, iat= -1,2189, r1= 1.30, r2= 1.80, r3= 7.33, r4= 7.83,
igr1=2145,2146,2147,2149,2150,2151,
&end
#
# 140 LEU QQD 143 ARG HB2 4.51
&rst
ixpk= 0, nxpk= 0, iat= -1,2191, r1= 1.30, r2= 1.80, r3= 6.08, r4= 6.58,
igr1=2145,2146,2147,2149,2150,2151,
&end
#
# 140 LEU QQD 143 ARG HB3 3.88
&rst
ixpk= 0, nxpk= 0, iat= -1,2192, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73,
igr1=2145,2146,2147,2149,2150,2151,
&end
#
# 140 LEU QQD 143 ARG QG 5.28
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.99, r4= 8.49,
igr1=2145,2146,2147,2149,2150,2151,
igr2=2194,2195,
&end
#
# 140 LEU QQD 143 ARG QD 3.13
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,
igr1=2145,2146,2147,2149,2150,2151,
igr2=2197,2198,
&end
#
# 140 LEU QQD 144 ASN QD2 3.64
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01,
igr1=2145,2146,2147,2149,2150,2151,
igr2=2220,2221,
&end
#
# 141 ALA HA 144 ASN QD2 4.01
&rst
ixpk= 0, nxpk= 0, iat=2157, -1, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,
igr2=2220,2221,
&end
#
# 143 ARG H 143 ARG QG 3.87
&rst
ixpk= 0, nxpk= 0, iat=2187, -1, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84,
igr2=2194,2195,
&end
#
# 143 ARG H 143 ARG QD 4.77
&rst
ixpk= 0, nxpk= 0, iat=2187, -1, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85,
igr2=2197,2198,
&end
#
# 143 ARG QG 144 ASN HA 4.23
&rst
ixpk= 0, nxpk= 0, iat= -1,2213, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25,
igr1=2194,2195,
&end
#
# 143 ARG QD 144 ASN H 5.08
&rst
ixpk= 0, nxpk= 0, iat= -1,2211, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,
igr1=2197,2198,
&end
#
# 144 ASN HA 144 ASN QD2 4.29
&rst
ixpk= 0, nxpk= 0, iat=2213, -1, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32,
igr2=2220,2221,
&end
#
# 144 ASN HB2 144 ASN QD2 3.30
&rst
ixpk= 0, nxpk= 0, iat=2215, -1, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
igr2=2220,2221,
&end
#
# 144 ASN HB3 144 ASN QD2 3.52
&rst
ixpk= 0, nxpk= 0, iat=2216, -1, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45,
igr2=2220,2221,
&end
#
# 147 ALA H 150 LEU QQD 4.65
&rst
ixpk= 0, nxpk= 0, iat=2245, -1, r1= 1.30, r2= 1.80, r3= 6.27, r4= 6.77,
igr2=2303,2304,2305,2307,2308,2309,
&end
#
# 147 ALA HA 150 LEU QB 4.37
&rst
ixpk= 0, nxpk= 0, iat=2247, -1, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,
igr2=2298,2299,
&end
#
# 147 ALA HA 150 LEU QQD 2.84
&rst
ixpk= 0, nxpk= 0, iat=2247, -1, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33,
igr2=2303,2304,2305,2307,2308,2309,
&end
#
# 147 ALA QB 150 LEU QQD 3.84
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
igr1=2249,2250,2251,
igr2=2303,2304,2305,2307,2308,2309,
&end
#
# 148 LYS H 148 LYS QE 4.74
&rst
ixpk= 0, nxpk= 0, iat=2255, -1, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82,
igr2=2268,2269,
&end
#
# 148 LYS H 150 LEU QQD 5.44
&rst
ixpk= 0, nxpk= 0, iat=2255, -1, r1= 1.30, r2= 1.80, r3= 7.33, r4= 7.83,
igr2=2303,2304,2305,2307,2308,2309,
&end
#
# 148 LYS QE 151 LEU QD1 4.29
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28,
igr1=2268,2269,
igr2=2322,2323,2324,
&end
#
# 149 MET QB 149 MET QE 3.20
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81,
igr1=2281,2282,
igr2=2288,2289,2290,
&end
#
# 150 LEU H 150 LEU QB 2.94
&rst
ixpk= 0, nxpk= 0, iat=2294, -1, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,
igr2=2298,2299,
&end
#
# 150 LEU H 150 LEU QQD 3.56
&rst
ixpk= 0, nxpk= 0, iat=2294, -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr2=2303,2304,2305,2307,2308,2309,
&end
#
# 150 LEU HA 150 LEU QQD 2.92
&rst
ixpk= 0, nxpk= 0, iat=2296, -1, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44,
igr2=2303,2304,2305,2307,2308,2309,
&end
#
# 150 LEU QB 150 LEU QQD 2.51
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30,
igr1=2298,2299,
igr2=2303,2304,2305,2307,2308,2309,
&end
#
# 150 LEU QB 154 HIS HD2 5.34
&rst
ixpk= 0, nxpk= 0, iat= -1,2385, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr1=2298,2299,
&end
#
# 150 LEU QQD 151 LEU H 4.82
&rst
ixpk= 0, nxpk= 0, iat= -1,2313, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,
igr1=2303,2304,2305,2307,2308,2309,
&end
#
# 150 LEU QQD 154 HIS HB2 4.22
&rst
ixpk= 0, nxpk= 0, iat= -1,2376, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
igr1=2303,2304,2305,2307,2308,2309,
&end
#
# 150 LEU QQD 154 HIS HB3 4.67
&rst
ixpk= 0, nxpk= 0, iat= -1,2377, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1=2303,2304,2305,2307,2308,2309,
&end
#
# Restraints file 8: RST.prot-NA-internoe
#
# 17 LYS QE 160 URA H4' 5.0
&rst
ixpk= 0, nxpk= 0, iat= -1,2535, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
rk2=20, rk3=20, ir6=1, ialtd=0,
igr1= 228, 229,
&end
#
# 18 THR QG2 160 URA H4' 2.5
&rst
ixpk= 0, nxpk= 0, iat= -1,2535, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,
igr1= 243, 244, 245,
&end
#
# 18 THR QG2 160 URA H5' 3.5
&rst
ixpk= 0, nxpk= 0, iat= -1,2532, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1= 243, 244, 245,
&end
#
# 18 THR QG2 160 URA H5" 3.5
&rst
ixpk= 0, nxpk= 0, iat= -1,2533, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1= 243, 244, 245,
&end
#
# 20 ILE QG2 159 RADE H4' 2.5
&rst
ixpk= 0, nxpk= 0, iat= -1,2502, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,
igr1= 271, 272, 273,
&end
#
# 20 ILE QG2 159 RADE H5' 3.5
&rst
ixpk= 0, nxpk= 0, iat= -1,2499, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1= 271, 272, 273,
&end
#
# 20 ILE QG2 159 RADE H5" 3.5
&rst
ixpk= 0, nxpk= 0, iat= -1,2500, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1= 271, 272, 273,
&end
#
# 20 ILE QD1 159 RADE H4' 4.0
&rst
ixpk= 0, nxpk= 0, iat= -1,2502, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr1= 278, 279, 280,
&end
#
# 20 ILE HB 159 RADE H4' 3.5
&rst
ixpk= 0, nxpk= 0, iat= 269,2502, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 28 THR QG2 195 RADE H4' 3.0
&rst
ixpk= 0, nxpk= 0, iat= -1,3642, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr1= 399, 400, 401,
&end
#
# 45 ALA QB 169 RCYT H1' 2.8
&rst
ixpk= 0, nxpk= 0, iat= -1,2815, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr1= 669, 670, 671,
&end
#
# 68 LYS QE 184 RADE H4' 3.5
&rst
ixpk= 0, nxpk= 0, iat= -1,3290, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 999,1000,
&end
#
# 69 LYS QE 161 URA H4' 3.5
&rst
ixpk= 0, nxpk= 0, iat= -1,2565, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1021,1022,
&end
#
# 89 VAL HB 181 RGUA H5' 3.5
&rst
ixpk= 0, nxpk= 0, iat=1324,3186, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 89 VAL QG1 180 RCYT H4' 3.5
&rst
ixpk= 0, nxpk= 0, iat= -1,3158, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1=1326,1327,1328,
&end
#
# 89 VAL QG1 181 RGUA H5' 3.5
&rst
ixpk= 0, nxpk= 0, iat= -1,3186, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1=1326,1327,1328,
&end
#
# 89 VAL QG2 181 RGUA H5' 3.5
&rst
ixpk= 0, nxpk= 0, iat= -1,3186, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1=1330,1331,1332,
&end
#
# 89 VAL QG2 181 RGUA H5" 3.5
&rst
ixpk= 0, nxpk= 0, iat= -1,3187, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1=1330,1331,1332,
&end
#
# 93 GLN QB 180 RCYT H4' 4.0
&rst
ixpk= 0, nxpk= 0, iat= -1,3158, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1=1376,1377,
&end
#
# 94 GLU HA 173 RADE H4' 5.0
&rst
ixpk= 0, nxpk= 0, iat=1391,2938, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 94 GLU QB 173 RADE H4' 4.5
&rst
ixpk= 0, nxpk= 0, iat= -1,2938, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1393,1394,
&end
#
# 94 GLU QG 173 RADE H4' 3.5
&rst
ixpk= 0, nxpk= 0, iat= -1,2938, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1396,1397,
&end
#
# 97 VAL QG1 174 RCYT H4' 3.5
&rst
ixpk= 0, nxpk= 0, iat= -1,2971, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1=1445,1446,1447,
&end
#
# 97 VAL QG1 174 RCYT H5' 3.5
&rst
ixpk= 0, nxpk= 0, iat= -1,2968, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1=1445,1446,1447,
&end
#
# 97 VAL QG1 174 RCYT H5" 3.5
&rst
ixpk= 0, nxpk= 0, iat= -1,2969, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1=1445,1446,1447,
&end
#
# 97 VAL QG2 174 RCYT H1' 4.5
&rst
ixpk= 0, nxpk= 0, iat= -1,2974, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1=1449,1450,1451,
&end
#
# 103 LEU QD1 179 RADE H1' 3.5
&rst
ixpk= 0, nxpk= 0, iat= -1,3128, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1=1558,1559,1560,
&end
#
# 103 LEU QD1 178 URA H1' 3.5
&rst
ixpk= 0, nxpk= 0, iat= -1,3098, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1=1558,1559,1560,
&end
#
# 103 LEU QD1 179 RADE H4' 3.5
&rst
ixpk= 0, nxpk= 0, iat= -1,3125, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1=1558,1559,1560,
&end
#
# 115 ALA QB 190 RADE H1' 3.5
&rst
ixpk= 0, nxpk= 0, iat= -1,3486, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1=1730,1731,1732,
&end
#
# 115 ALA QB 191 RADE H1' 3.5
&rst
ixpk= 0, nxpk= 0, iat= -1,3519, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1=1730,1731,1732,
&end
#
# 115 ALA QB 191 RADE H4' 3.5
&rst
ixpk= 0, nxpk= 0, iat= -1,3516, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1=1730,1731,1732,
&end
#
# 118 LYS QB 162 RADE H4' 5.0
&rst
ixpk= 0, nxpk= 0, iat= -1,2595, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1=1781,1782,
&end
#
# 118 LYS QG 162 RADE H4' 4.0
&rst
ixpk= 0, nxpk= 0, iat= -1,2595, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1=1784,1785,
&end
#
# 118 LYS QD 162 RADE H4' 4.0
&rst
ixpk= 0, nxpk= 0, iat= -1,2595, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1=1787,1788,
&end
#
# 118 LYS QE 162 RADE H4' 5.0
&rst
ixpk= 0, nxpk= 0, iat= -1,2595, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1=1790,1791,
&end
#
# 137 SER HA 162 RADE H4' 3.5
&rst
ixpk= 0, nxpk= 0, iat=2083,2595, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 137 SER HA 162 RADE H5" 3.5
&rst
ixpk= 0, nxpk= 0, iat=2083,2593, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 137 SER HA 163 URA H5' 5.0
&rst
ixpk= 0, nxpk= 0, iat=2083,2625, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 138 LYS QG 163 URA H4' 4.0
&rst
ixpk= 0, nxpk= 0, iat= -1,2628, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1=2099,2100,
&end
#
# 138 LYS QD 163 URA H4' 4.0
&rst
ixpk= 0, nxpk= 0, iat= -1,2628, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1=2102,2103,
&end
#
# 138 LYS QE 163 URA H4' 4.0
&rst
ixpk= 0, nxpk= 0, iat= -1,2628, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1=2105,2106,
&end
#
# 139 LYS QE 181 RGUA H3' 5.0
&rst
ixpk= 0, nxpk= 0, iat= -1,3209, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1=2127,2128,
&end
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