NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type | subtype | subsubtype |
|
|
566114 |
3zj1   |
18955 | cing | 1-original | 1 | AMBER | distance | NOE | simple |
#
# 54 ASP HA 56 GLU H 4.42
&rst
ixpk= 0, nxpk= 0, iat= 806, 831, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92,
rk2=20.0, rk3=20.0, ir6=1, ialtd=0,
&end
#
# 54 ASP HA 58 MET H 5.00
&rst
ixpk= 0, nxpk= 0, iat= 806, 865, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 54 ASP HA 57 LEU H 3.98
&rst
ixpk= 0, nxpk= 0, iat= 806, 846, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48, &end
#
# 38 ASN HA 39 CYX H 3.30
&rst
ixpk= 0, nxpk= 0, iat= 573, 585, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 31 LYS HA 32 VAL H 2.74
&rst
ixpk= 0, nxpk= 0, iat= 461, 481, r1= 1.30, r2= 1.80, r3= 2.74, r4= 3.24, &end
#
# 26 HIE HA 27 ALA H 2.68
&rst
ixpk= 0, nxpk= 0, iat= 389, 404, r1= 1.30, r2= 1.80, r3= 2.68, r4= 3.18, &end
#
# 17 HIE HA 18 CYX H 3.27
&rst
ixpk= 0, nxpk= 0, iat= 263, 278, r1= 1.30, r2= 1.80, r3= 3.27, r4= 3.77, &end
#
# 33 CYX H 50 HID HA 5.13
&rst
ixpk= 0, nxpk= 0, iat= 497, 746, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63, &end
#
# 33 CYX H 48 PHE HA 5.10
&rst
ixpk= 0, nxpk= 0, iat= 497, 707, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60, &end
#
# 48 PHE HA 49 LEU H 3.24
&rst
ixpk= 0, nxpk= 0, iat= 707, 725, r1= 1.30, r2= 1.80, r3= 3.24, r4= 3.74, &end
#
# 19 PRO HA 21 GLY H 4.51
&rst
ixpk= 0, nxpk= 0, iat= 298, 321, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01, &end
#
# 52 ASN HA 55 GLU H 4.72
&rst
ixpk= 0, nxpk= 0, iat= 777, 816, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, &end
#
# 68 PHE HA 69 GLN H 3.52
&rst
ixpk= 0, nxpk= 0, iat=1045,1063, r1= 1.30, r2= 1.80, r3= 3.52, r4= 4.02, &end
#
# 41 LYS HA 46 CYX H 5.10
&rst
ixpk= 0, nxpk= 0, iat= 611, 680, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60, &end
#
# 9 GLU HA 10 GLY H 2.96
&rst
ixpk= 0, nxpk= 0, iat= 130, 143, r1= 1.30, r2= 1.80, r3= 2.96, r4= 3.46, &end
#
# 53 GLU HA 55 GLU H 4.72
&rst
ixpk= 0, nxpk= 0, iat= 791, 816, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, &end
#
# 5 PRO HA 6 THR H 3.36
&rst
ixpk= 0, nxpk= 0, iat= 66, 70, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86, &end
#
# 14 LEU HA 17 HIE H 4.85
&rst
ixpk= 0, nxpk= 0, iat= 210, 261, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35, &end
#
# 8 LYS H 8 LYS HA 2.65
&rst
ixpk= 0, nxpk= 0, iat= 106, 108, r1= 1.30, r2= 1.80, r3= 2.65, r4= 3.15, &end
#
# 8 LYS HA 9 GLU H 2.71
&rst
ixpk= 0, nxpk= 0, iat= 108, 128, r1= 1.30, r2= 1.80, r3= 2.71, r4= 3.21, &end
#
# 29 PRO HA 48 PHE H 4.76
&rst
ixpk= 0, nxpk= 0, iat= 441, 705, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26, &end
#
# 29 PRO HA 30 THR H 2.74
&rst
ixpk= 0, nxpk= 0, iat= 441, 445, r1= 1.30, r2= 1.80, r3= 2.74, r4= 3.24, &end
#
# 77 ALA HA 78 ALA H 3.14
&rst
ixpk= 0, nxpk= 0, iat=1210,1218, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64, &end
#
# 6 THR HA 7 LYS H 3.11
&rst
ixpk= 0, nxpk= 0, iat= 72, 84, r1= 1.30, r2= 1.80, r3= 3.11, r4= 3.61, &end
#
# 10 GLY HA2 11 ARG H 3.02
&rst
ixpk= 0, nxpk= 0, iat= 145, 150, r1= 1.30, r2= 1.80, r3= 3.02, r4= 3.52, &end
#
# 60 GLU H 60 GLU HA 2.74
&rst
ixpk= 0, nxpk= 0, iat= 904, 906, r1= 1.30, r2= 1.80, r3= 2.74, r4= 3.24, &end
#
# 45 THR HB 46 CYX H 4.38
&rst
ixpk= 0, nxpk= 0, iat= 670, 680, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88, &end
#
# 65 ARG H 65 ARG HA 2.86
&rst
ixpk= 0, nxpk= 0, iat= 989, 991, r1= 1.30, r2= 1.80, r3= 2.86, r4= 3.36, &end
#
# 63 ARG H 63 ARG HA 2.83
&rst
ixpk= 0, nxpk= 0, iat= 951, 953, r1= 1.30, r2= 1.80, r3= 2.83, r4= 3.33, &end
#
# 58 MET HA 61 MET H 3.52
&rst
ixpk= 0, nxpk= 0, iat= 867, 919, r1= 1.30, r2= 1.80, r3= 3.52, r4= 4.02, &end
#
# 67 GLU H 67 GLU HA 2.74
&rst
ixpk= 0, nxpk= 0, iat=1028,1030, r1= 1.30, r2= 1.80, r3= 2.74, r4= 3.24, &end
#
# 59 LYS H 59 LYS HA 2.83
&rst
ixpk= 0, nxpk= 0, iat= 882, 884, r1= 1.30, r2= 1.80, r3= 2.83, r4= 3.33, &end
#
# 11 ARG HA 12 CYX H 2.77
&rst
ixpk= 0, nxpk= 0, iat= 152, 174, r1= 1.30, r2= 1.80, r3= 2.77, r4= 3.27, &end
#
# 11 ARG HA 27 ALA H 3.55
&rst
ixpk= 0, nxpk= 0, iat= 152, 404, r1= 1.30, r2= 1.80, r3= 3.55, r4= 4.05, &end
#
# 50 HID H 55 GLU HA 5.19
&rst
ixpk= 0, nxpk= 0, iat= 744, 818, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69, &end
#
# 55 GLU HA 58 MET H 3.76
&rst
ixpk= 0, nxpk= 0, iat= 818, 865, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26, &end
#
# 32 VAL HA 33 CYX H 2.86
&rst
ixpk= 0, nxpk= 0, iat= 483, 497, r1= 1.30, r2= 1.80, r3= 2.86, r4= 3.36, &end
#
# 10 GLY HA3 11 ARG H 3.02
&rst
ixpk= 0, nxpk= 0, iat= 146, 150, r1= 1.30, r2= 1.80, r3= 3.02, r4= 3.52, &end
#
# 12 CYX H 12 CYX HA 2.74
&rst
ixpk= 0, nxpk= 0, iat= 174, 176, r1= 1.30, r2= 1.80, r3= 2.74, r4= 3.24, &end
#
# 12 CYX HA 14 LEU H 4.51
&rst
ixpk= 0, nxpk= 0, iat= 176, 208, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01, &end
#
# 12 CYX HA 27 ALA H 4.51
&rst
ixpk= 0, nxpk= 0, iat= 176, 404, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01, &end
#
# 15 PHE HA 17 HIE H 3.11
&rst
ixpk= 0, nxpk= 0, iat= 229, 261, r1= 1.30, r2= 1.80, r3= 3.11, r4= 3.61, &end
#
# 15 PHE HA 18 CYX H 3.73
&rst
ixpk= 0, nxpk= 0, iat= 229, 278, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23, &end
#
# 61 MET HA 63 ARG H 4.48
&rst
ixpk= 0, nxpk= 0, iat= 921, 951, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98, &end
#
# 61 MET HA 64 THR H 3.76
&rst
ixpk= 0, nxpk= 0, iat= 921, 975, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26, &end
#
# 61 MET HA 65 ARG H 4.72
&rst
ixpk= 0, nxpk= 0, iat= 921, 989, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, &end
#
# 33 CYX HA 34 ASN H 2.96
&rst
ixpk= 0, nxpk= 0, iat= 499, 507, r1= 1.30, r2= 1.80, r3= 2.96, r4= 3.46, &end
#
# 33 CYX HA 35 GLU H 4.23
&rst
ixpk= 0, nxpk= 0, iat= 499, 521, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73, &end
#
# 48 PHE HB2 49 LEU H 3.70
&rst
ixpk= 0, nxpk= 0, iat= 709, 725, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20, &end
#
# 11 ARG H 47 GLU HA 5.19
&rst
ixpk= 0, nxpk= 0, iat= 150, 692, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69, &end
#
# 27 ALA H 47 GLU HA 5.31
&rst
ixpk= 0, nxpk= 0, iat= 404, 692, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81, &end
#
# 37 PRO HA 39 CYX H 4.01
&rst
ixpk= 0, nxpk= 0, iat= 567, 585, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51, &end
#
# 50 HID H 50 HID HB3 4.11
&rst
ixpk= 0, nxpk= 0, iat= 744, 749, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61, &end
#
# 68 PHE HB2 69 GLN H 4.11
&rst
ixpk= 0, nxpk= 0, iat=1047,1063, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61, &end
#
# 68 PHE H 68 PHE HB3 3.42
&rst
ixpk= 0, nxpk= 0, iat=1043,1048, r1= 1.30, r2= 1.80, r3= 3.42, r4= 3.92, &end
#
# 26 HIE H 26 HIE HB2 3.61
&rst
ixpk= 0, nxpk= 0, iat= 387, 391, r1= 1.30, r2= 1.80, r3= 3.61, r4= 4.11, &end
#
# 36 TYR H 36 TYR HB2 3.05
&rst
ixpk= 0, nxpk= 0, iat= 536, 540, r1= 1.30, r2= 1.80, r3= 3.05, r4= 3.55, &end
#
# 12 CYX H 12 CYX HB2 3.21
&rst
ixpk= 0, nxpk= 0, iat= 174, 178, r1= 1.30, r2= 1.80, r3= 3.21, r4= 3.71, &end
#
# 54 ASP H 54 ASP HB2 3.36
&rst
ixpk= 0, nxpk= 0, iat= 804, 808, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86, &end
#
# 50 HID H 54 ASP HB2 4.38
&rst
ixpk= 0, nxpk= 0, iat= 744, 808, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88, &end
#
# 48 PHE HB3 49 LEU H 3.70
&rst
ixpk= 0, nxpk= 0, iat= 710, 725, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20, &end
#
# 26 HIE H 26 HIE HB3 3.61
&rst
ixpk= 0, nxpk= 0, iat= 387, 392, r1= 1.30, r2= 1.80, r3= 3.61, r4= 4.11, &end
#
# 24 CYX H 24 CYX HB3 3.05
&rst
ixpk= 0, nxpk= 0, iat= 363, 368, r1= 1.30, r2= 1.80, r3= 3.05, r4= 3.55, &end
#
# 15 PHE HB2 17 HIE H 5.04
&rst
ixpk= 0, nxpk= 0, iat= 231, 261, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54, &end
#
# 39 CYX HB3 41 LYS H 4.51
&rst
ixpk= 0, nxpk= 0, iat= 590, 609, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01, &end
#
# 39 CYX H 39 CYX HB3 3.05
&rst
ixpk= 0, nxpk= 0, iat= 585, 590, r1= 1.30, r2= 1.80, r3= 3.05, r4= 3.55, &end
#
# 13 ARG H 15 PHE HB3 4.82
&rst
ixpk= 0, nxpk= 0, iat= 184, 232, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32, &end
#
# 15 PHE HB3 17 HIE H 5.04
&rst
ixpk= 0, nxpk= 0, iat= 232, 261, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54, &end
#
# 39 CYX HB2 41 LYS H 4.63
&rst
ixpk= 0, nxpk= 0, iat= 589, 609, r1= 1.30, r2= 1.80, r3= 4.63, r4= 5.13, &end
#
# 36 TYR H 39 CYX HB2 3.79
&rst
ixpk= 0, nxpk= 0, iat= 536, 589, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29, &end
#
# 18 CYX H 18 CYX HB2 3.52
&rst
ixpk= 0, nxpk= 0, iat= 278, 282, r1= 1.30, r2= 1.80, r3= 3.52, r4= 4.02, &end
#
# 24 CYX H 24 CYX HB2 3.05
&rst
ixpk= 0, nxpk= 0, iat= 363, 367, r1= 1.30, r2= 1.80, r3= 3.05, r4= 3.55, &end
#
# 38 ASN H 38 ASN HB3 3.42
&rst
ixpk= 0, nxpk= 0, iat= 571, 576, r1= 1.30, r2= 1.80, r3= 3.42, r4= 3.92, &end
#
# 50 HID H 54 ASP HB3 4.38
&rst
ixpk= 0, nxpk= 0, iat= 744, 809, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88, &end
#
# 43 PRO HB2 44 GLY H 4.57
&rst
ixpk= 0, nxpk= 0, iat= 652, 659, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07, &end
#
# 58 MET H 58 MET HB2 3.45
&rst
ixpk= 0, nxpk= 0, iat= 865, 869, r1= 1.30, r2= 1.80, r3= 3.45, r4= 3.95, &end
#
# 55 GLU H 55 GLU HB2 3.17
&rst
ixpk= 0, nxpk= 0, iat= 816, 820, r1= 1.30, r2= 1.80, r3= 3.17, r4= 3.67, &end
#
# 67 GLU HB2 68 PHE H 3.11
&rst
ixpk= 0, nxpk= 0, iat=1032,1043, r1= 1.30, r2= 1.80, r3= 3.11, r4= 3.61, &end
#
# 58 MET H 58 MET HB3 3.45
&rst
ixpk= 0, nxpk= 0, iat= 865, 870, r1= 1.30, r2= 1.80, r3= 3.45, r4= 3.95, &end
#
# 67 GLU HB3 68 PHE H 3.11
&rst
ixpk= 0, nxpk= 0, iat=1033,1043, r1= 1.30, r2= 1.80, r3= 3.11, r4= 3.61, &end
#
# 9 GLU H 9 GLU HB2 3.14
&rst
ixpk= 0, nxpk= 0, iat= 128, 132, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64, &end
#
# 55 GLU H 55 GLU HB3 3.17
&rst
ixpk= 0, nxpk= 0, iat= 816, 821, r1= 1.30, r2= 1.80, r3= 3.17, r4= 3.67, &end
#
# 59 LYS H 59 LYS HB2 3.30
&rst
ixpk= 0, nxpk= 0, iat= 882, 886, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 43 PRO HB3 44 GLY H 4.57
&rst
ixpk= 0, nxpk= 0, iat= 653, 659, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07, &end
#
# 35 GLU H 35 GLU HB3 3.14
&rst
ixpk= 0, nxpk= 0, iat= 521, 526, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64, &end
#
# 31 LYS H 31 LYS HB2 3.39
&rst
ixpk= 0, nxpk= 0, iat= 459, 463, r1= 1.30, r2= 1.80, r3= 3.39, r4= 3.89, &end
#
# 35 GLU HB3 36 TYR H 3.92
&rst
ixpk= 0, nxpk= 0, iat= 526, 536, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42, &end
#
# 9 GLU H 9 GLU HB3 3.14
&rst
ixpk= 0, nxpk= 0, iat= 128, 133, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64, &end
#
# 31 LYS H 31 LYS HB3 3.39
&rst
ixpk= 0, nxpk= 0, iat= 459, 464, r1= 1.30, r2= 1.80, r3= 3.39, r4= 3.89, &end
#
# 59 LYS H 59 LYS HB3 3.30
&rst
ixpk= 0, nxpk= 0, iat= 882, 887, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 70 LYS H 70 LYS HB3 2.99
&rst
ixpk= 0, nxpk= 0, iat=1080,1085, r1= 1.30, r2= 1.80, r3= 2.99, r4= 3.49, &end
#
# 28 HID H 28 HID HB3 3.79
&rst
ixpk= 0, nxpk= 0, iat= 414, 419, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29, &end
#
# 20 LEU HB3 24 CYX H 3.89
&rst
ixpk= 0, nxpk= 0, iat= 307, 363, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39, &end
#
# 7 LYS H 7 LYS HB3 3.52
&rst
ixpk= 0, nxpk= 0, iat= 84, 89, r1= 1.30, r2= 1.80, r3= 3.52, r4= 4.02, &end
#
# 14 LEU HB2 18 CYX H 5.22
&rst
ixpk= 0, nxpk= 0, iat= 212, 278, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72, &end
#
# 75 LEU H 75 LEU HB2 3.39
&rst
ixpk= 0, nxpk= 0, iat=1170,1174, r1= 1.30, r2= 1.80, r3= 3.39, r4= 3.89, &end
#
# 75 LEU HB2 76 LEU H 3.17
&rst
ixpk= 0, nxpk= 0, iat=1174,1189, r1= 1.30, r2= 1.80, r3= 3.17, r4= 3.67, &end
#
# 14 LEU HB3 18 CYX H 5.22
&rst
ixpk= 0, nxpk= 0, iat= 213, 278, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72, &end
#
# 49 LEU HB3 50 HID H 4.45
&rst
ixpk= 0, nxpk= 0, iat= 730, 744, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95, &end
#
# 20 LEU HB2 24 CYX H 3.89
&rst
ixpk= 0, nxpk= 0, iat= 306, 363, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39, &end
#
# 49 LEU HB2 50 HID H 4.45
&rst
ixpk= 0, nxpk= 0, iat= 729, 744, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95, &end
#
# 49 LEU H 50 HID H 4.91
&rst
ixpk= 0, nxpk= 0, iat= 725, 744, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41, &end
#
# 44 GLY H 45 THR H 3.64
&rst
ixpk= 0, nxpk= 0, iat= 659, 666, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14, &end
#
# 33 CYX H 34 ASN H 4.88
&rst
ixpk= 0, nxpk= 0, iat= 497, 507, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38, &end
#
# 33 CYX H 49 LEU H 3.67
&rst
ixpk= 0, nxpk= 0, iat= 497, 725, r1= 1.30, r2= 1.80, r3= 3.67, r4= 4.17, &end
#
# 33 CYX H 36 TYR H 5.31
&rst
ixpk= 0, nxpk= 0, iat= 497, 536, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81, &end
#
# 44 GLY H 46 CYX H 4.91
&rst
ixpk= 0, nxpk= 0, iat= 659, 680, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41, &end
#
# 9 GLU H 10 GLY H 4.42
&rst
ixpk= 0, nxpk= 0, iat= 128, 143, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92, &end
#
# 38 ASN H 39 CYX H 3.42
&rst
ixpk= 0, nxpk= 0, iat= 571, 585, r1= 1.30, r2= 1.80, r3= 3.42, r4= 3.92, &end
#
# 22 ARG H 23 SER H 5.28
&rst
ixpk= 0, nxpk= 0, iat= 328, 352, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78, &end
#
# 48 PHE H 49 LEU H 4.29
&rst
ixpk= 0, nxpk= 0, iat= 705, 725, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79, &end
#
# 46 CYX H 47 GLU H 4.45
&rst
ixpk= 0, nxpk= 0, iat= 680, 690, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95, &end
#
# 15 PHE H 17 HIE H 4.45
&rst
ixpk= 0, nxpk= 0, iat= 227, 261, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95, &end
#
# 55 GLU H 56 GLU H 3.45
&rst
ixpk= 0, nxpk= 0, iat= 816, 831, r1= 1.30, r2= 1.80, r3= 3.45, r4= 3.95, &end
#
# 56 GLU H 57 LEU H 3.21
&rst
ixpk= 0, nxpk= 0, iat= 831, 846, r1= 1.30, r2= 1.80, r3= 3.21, r4= 3.71, &end
#
# 34 ASN H 35 GLU H 3.48
&rst
ixpk= 0, nxpk= 0, iat= 507, 521, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98, &end
#
# 60 GLU H 61 MET H 3.24
&rst
ixpk= 0, nxpk= 0, iat= 904, 919, r1= 1.30, r2= 1.80, r3= 3.24, r4= 3.74, &end
#
# 56 GLU H 58 MET H 4.42
&rst
ixpk= 0, nxpk= 0, iat= 831, 865, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92, &end
#
# 58 MET H 59 LYS H 3.27
&rst
ixpk= 0, nxpk= 0, iat= 865, 882, r1= 1.30, r2= 1.80, r3= 3.27, r4= 3.77, &end
#
# 30 THR H 31 LYS H 2.80
&rst
ixpk= 0, nxpk= 0, iat= 445, 459, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 13 ARG H 14 LEU H 3.33
&rst
ixpk= 0, nxpk= 0, iat= 184, 208, r1= 1.30, r2= 1.80, r3= 3.33, r4= 3.83, &end
#
# 65 ARG H 66 GLU H 3.39
&rst
ixpk= 0, nxpk= 0, iat= 989,1013, r1= 1.30, r2= 1.80, r3= 3.39, r4= 3.89, &end
#
# 12 CYX H 27 ALA H 3.89
&rst
ixpk= 0, nxpk= 0, iat= 174, 404, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39, &end
#
# 73 ALA H 74 ASP H 3.92
&rst
ixpk= 0, nxpk= 0, iat=1148,1158, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42, &end
#
# 69 GLN H 70 LYS H 3.48
&rst
ixpk= 0, nxpk= 0, iat=1063,1080, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98, &end
#
# 11 ARG H 12 CYX H 4.11
&rst
ixpk= 0, nxpk= 0, iat= 150, 174, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61, &end
#
# 10 GLY H 11 ARG H 4.17
&rst
ixpk= 0, nxpk= 0, iat= 143, 150, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67, &end
#
# 50 HID H 54 ASP H 4.66
&rst
ixpk= 0, nxpk= 0, iat= 744, 804, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16, &end
#
# 67 GLU H 68 PHE H 4.11
&rst
ixpk= 0, nxpk= 0, iat=1028,1043, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61, &end
#
# 68 PHE H 69 GLN H 2.99
&rst
ixpk= 0, nxpk= 0, iat=1043,1063, r1= 1.30, r2= 1.80, r3= 2.99, r4= 3.49, &end
#
# 54 ASP H 55 GLU H 3.42
&rst
ixpk= 0, nxpk= 0, iat= 804, 816, r1= 1.30, r2= 1.80, r3= 3.42, r4= 3.92, &end
#
# 13 ARG H 15 PHE H 4.45
&rst
ixpk= 0, nxpk= 0, iat= 184, 227, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95, &end
#
# 14 LEU H 15 PHE H 2.96
&rst
ixpk= 0, nxpk= 0, iat= 208, 227, r1= 1.30, r2= 1.80, r3= 2.96, r4= 3.46, &end
#
# 74 ASP H 75 LEU H 3.45
&rst
ixpk= 0, nxpk= 0, iat=1158,1170, r1= 1.30, r2= 1.80, r3= 3.45, r4= 3.95, &end
#
# 59 LYS H 60 GLU H 3.02
&rst
ixpk= 0, nxpk= 0, iat= 882, 904, r1= 1.30, r2= 1.80, r3= 3.02, r4= 3.52, &end
#
# 62 GLU H 63 ARG H 3.05
&rst
ixpk= 0, nxpk= 0, iat= 936, 951, r1= 1.30, r2= 1.80, r3= 3.05, r4= 3.55, &end
#
# 45 THR H 46 CYX H 3.08
&rst
ixpk= 0, nxpk= 0, iat= 666, 680, r1= 1.30, r2= 1.80, r3= 3.08, r4= 3.58, &end
#
# 61 MET H 62 GLU H 3.27
&rst
ixpk= 0, nxpk= 0, iat= 919, 936, r1= 1.30, r2= 1.80, r3= 3.27, r4= 3.77, &end
#
# 31 LYS H 49 LEU H 4.04
&rst
ixpk= 0, nxpk= 0, iat= 459, 725, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54, &end
#
# 64 THR H 65 ARG H 3.39
&rst
ixpk= 0, nxpk= 0, iat= 975, 989, r1= 1.30, r2= 1.80, r3= 3.39, r4= 3.89, &end
#
# 57 LEU H 58 MET H 3.33
&rst
ixpk= 0, nxpk= 0, iat= 846, 865, r1= 1.30, r2= 1.80, r3= 3.33, r4= 3.83, &end
#
# 20 LEU H 21 GLY H 3.08
&rst
ixpk= 0, nxpk= 0, iat= 302, 321, r1= 1.30, r2= 1.80, r3= 3.08, r4= 3.58, &end
#
# 34 ASN H 36 TYR H 4.94
&rst
ixpk= 0, nxpk= 0, iat= 507, 536, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44, &end
#
# 35 GLU H 36 TYR H 2.99
&rst
ixpk= 0, nxpk= 0, iat= 521, 536, r1= 1.30, r2= 1.80, r3= 2.99, r4= 3.49, &end
#
# 23 SER H 24 CYX H 3.21
&rst
ixpk= 0, nxpk= 0, iat= 352, 363, r1= 1.30, r2= 1.80, r3= 3.21, r4= 3.71, &end
#
# 43 PRO HA 44 GLY H 2.96
&rst
ixpk= 0, nxpk= 0, iat= 655, 659, r1= 1.30, r2= 1.80, r3= 2.96, r4= 3.46, &end
#
# 32 VAL HB 33 CYX H 4.26
&rst
ixpk= 0, nxpk= 0, iat= 485, 497, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76, &end
#
# 12 CYX H 12 CYX HB3 3.21
&rst
ixpk= 0, nxpk= 0, iat= 174, 179, r1= 1.30, r2= 1.80, r3= 3.21, r4= 3.71, &end
#
# 13 ARG H 15 PHE HB2 4.82
&rst
ixpk= 0, nxpk= 0, iat= 184, 231, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32, &end
#
# 13 ARG H 13 ARG HB2 3.48
&rst
ixpk= 0, nxpk= 0, iat= 184, 188, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98, &end
#
# 13 ARG H 13 ARG HB3 3.48
&rst
ixpk= 0, nxpk= 0, iat= 184, 189, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98, &end
#
# 38 ASN H 38 ASN HB2 3.42
&rst
ixpk= 0, nxpk= 0, iat= 571, 575, r1= 1.30, r2= 1.80, r3= 3.42, r4= 3.92, &end
#
# 48 PHE H 48 PHE HB3 4.11
&rst
ixpk= 0, nxpk= 0, iat= 705, 710, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61, &end
#
# 46 CYX HA 47 GLU H 2.80
&rst
ixpk= 0, nxpk= 0, iat= 682, 690, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 16 PRO HA 17 HIE H 3.39
&rst
ixpk= 0, nxpk= 0, iat= 257, 261, r1= 1.30, r2= 1.80, r3= 3.39, r4= 3.89, &end
#
# 17 HIE H 17 HIE HB3 3.98
&rst
ixpk= 0, nxpk= 0, iat= 261, 266, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48, &end
#
# 17 HIE H 17 HIE HB2 3.98
&rst
ixpk= 0, nxpk= 0, iat= 261, 265, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48, &end
#
# 55 GLU HB3 56 GLU H 3.58
&rst
ixpk= 0, nxpk= 0, iat= 821, 831, r1= 1.30, r2= 1.80, r3= 3.58, r4= 4.08, &end
#
# 32 VAL H 32 VAL HB 2.71
&rst
ixpk= 0, nxpk= 0, iat= 481, 485, r1= 1.30, r2= 1.80, r3= 2.71, r4= 3.21, &end
#
# 49 LEU H 49 LEU HB3 3.58
&rst
ixpk= 0, nxpk= 0, iat= 725, 730, r1= 1.30, r2= 1.80, r3= 3.58, r4= 4.08, &end
#
# 49 LEU H 49 LEU HB2 3.58
&rst
ixpk= 0, nxpk= 0, iat= 725, 729, r1= 1.30, r2= 1.80, r3= 3.58, r4= 4.08, &end
#
# 27 ALA HA 28 HID H 2.71
&rst
ixpk= 0, nxpk= 0, iat= 406, 414, r1= 1.30, r2= 1.80, r3= 2.71, r4= 3.21, &end
#
# 28 HID H 28 HID HB2 3.79
&rst
ixpk= 0, nxpk= 0, iat= 414, 418, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29, &end
#
# 68 PHE HB3 69 GLN H 4.11
&rst
ixpk= 0, nxpk= 0, iat=1048,1063, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61, &end
#
# 55 GLU HA 59 LYS H 4.85
&rst
ixpk= 0, nxpk= 0, iat= 818, 882, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35, &end
#
# 15 PHE H 15 PHE HB2 3.08
&rst
ixpk= 0, nxpk= 0, iat= 227, 231, r1= 1.30, r2= 1.80, r3= 3.08, r4= 3.58, &end
#
# 51 PRO HA 52 ASN H 3.36
&rst
ixpk= 0, nxpk= 0, iat= 771, 775, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86, &end
#
# 15 PHE H 15 PHE HB3 3.08
&rst
ixpk= 0, nxpk= 0, iat= 227, 232, r1= 1.30, r2= 1.80, r3= 3.08, r4= 3.58, &end
#
# 54 ASP H 54 ASP HB3 3.36
&rst
ixpk= 0, nxpk= 0, iat= 804, 809, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86, &end
#
# 23 SER H 23 SER HB2 3.39
&rst
ixpk= 0, nxpk= 0, iat= 352, 356, r1= 1.30, r2= 1.80, r3= 3.39, r4= 3.89, &end
#
# 23 SER H 23 SER HB3 3.39
&rst
ixpk= 0, nxpk= 0, iat= 352, 357, r1= 1.30, r2= 1.80, r3= 3.39, r4= 3.89, &end
#
# 57 LEU H 57 LEU HB2 3.36
&rst
ixpk= 0, nxpk= 0, iat= 846, 850, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86, &end
#
# 57 LEU H 57 LEU HB3 3.36
&rst
ixpk= 0, nxpk= 0, iat= 846, 851, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86, &end
#
# 33 CYX HA 36 TYR H 4.88
&rst
ixpk= 0, nxpk= 0, iat= 499, 536, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38, &end
#
# 36 TYR H 36 TYR HB3 3.05
&rst
ixpk= 0, nxpk= 0, iat= 536, 541, r1= 1.30, r2= 1.80, r3= 3.05, r4= 3.55, &end
#
# 18 CYX H 18 CYX HB3 3.52
&rst
ixpk= 0, nxpk= 0, iat= 278, 283, r1= 1.30, r2= 1.80, r3= 3.52, r4= 4.02, &end
#
# 36 TYR HA 39 CYX H 3.33
&rst
ixpk= 0, nxpk= 0, iat= 538, 585, r1= 1.30, r2= 1.80, r3= 3.33, r4= 3.83, &end
#
# 39 CYX H 39 CYX HB2 3.24
&rst
ixpk= 0, nxpk= 0, iat= 585, 589, r1= 1.30, r2= 1.80, r3= 3.24, r4= 3.74, &end
#
# 49 LEU HA 50 HID H 2.96
&rst
ixpk= 0, nxpk= 0, iat= 727, 744, r1= 1.30, r2= 1.80, r3= 2.96, r4= 3.46, &end
#
# 37 PRO HA 38 ASN HA 5.07
&rst
ixpk= 0, nxpk= 0, iat= 567, 573, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57, &end
#
# 33 CYX HA 34 ASN HA 4.60
&rst
ixpk= 0, nxpk= 0, iat= 499, 509, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, &end
#
# 75 LEU HA 75 LEU HB3 2.77
&rst
ixpk= 0, nxpk= 0, iat=1172,1175, r1= 1.30, r2= 1.80, r3= 2.77, r4= 3.27, &end
#
# 11 ARG HA 47 GLU HA 4.32
&rst
ixpk= 0, nxpk= 0, iat= 152, 692, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82, &end
#
# 46 CYX HA 47 GLU HA 4.35
&rst
ixpk= 0, nxpk= 0, iat= 682, 692, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85, &end
#
# 36 TYR HA 37 PRO HA 2.90
&rst
ixpk= 0, nxpk= 0, iat= 538, 567, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40, &end
#
# 75 LEU HA 75 LEU HB2 2.77
&rst
ixpk= 0, nxpk= 0, iat=1172,1174, r1= 1.30, r2= 1.80, r3= 2.77, r4= 3.27, &end
#
# 66 GLU H 66 GLU HA 2.83
&rst
ixpk= 0, nxpk= 0, iat=1013,1015, r1= 1.30, r2= 1.80, r3= 2.83, r4= 3.33, &end
#
# 70 LYS H 70 LYS HA 2.86
&rst
ixpk= 0, nxpk= 0, iat=1080,1082, r1= 1.30, r2= 1.80, r3= 2.86, r4= 3.36, &end
#
# 52 ASN H 52 ASN HB2 3.39
&rst
ixpk= 0, nxpk= 0, iat= 775, 779, r1= 1.30, r2= 1.80, r3= 3.39, r4= 3.89, &end
#
# 52 ASN H 52 ASN HB3 3.39
&rst
ixpk= 0, nxpk= 0, iat= 775, 780, r1= 1.30, r2= 1.80, r3= 3.39, r4= 3.89, &end
#
# 17 HIE H 18 CYX H 3.89
&rst
ixpk= 0, nxpk= 0, iat= 261, 278, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39, &end
#
# 14 LEU H 14 LEU HA 2.74
&rst
ixpk= 0, nxpk= 0, iat= 208, 210, r1= 1.30, r2= 1.80, r3= 2.74, r4= 3.24, &end
#
# 46 CYX HA 48 PHE H 3.64
&rst
ixpk= 0, nxpk= 0, iat= 682, 705, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14, &end
#
# 48 PHE H 48 PHE HB2 4.11
&rst
ixpk= 0, nxpk= 0, iat= 705, 709, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61, &end
#
# 35 GLU H 35 GLU HB2 3.14
&rst
ixpk= 0, nxpk= 0, iat= 521, 525, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64, &end
#
# 7 LYS H 7 LYS HB2 3.52
&rst
ixpk= 0, nxpk= 0, iat= 84, 88, r1= 1.30, r2= 1.80, r3= 3.52, r4= 4.02, &end
#
# 71 ARG H 71 ARG HA 2.93
&rst
ixpk= 0, nxpk= 0, iat=1102,1104, r1= 1.30, r2= 1.80, r3= 2.93, r4= 3.43, &end
#
# 70 LYS H 70 LYS HB2 2.99
&rst
ixpk= 0, nxpk= 0, iat=1080,1084, r1= 1.30, r2= 1.80, r3= 2.99, r4= 3.49, &end
#
# 68 PHE H 68 PHE HB2 3.42
&rst
ixpk= 0, nxpk= 0, iat=1043,1047, r1= 1.30, r2= 1.80, r3= 3.42, r4= 3.92, &end
#
# 12 CYX H 28 HID H 4.45
&rst
ixpk= 0, nxpk= 0, iat= 174, 414, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95, &end
#
# 55 GLU HB2 56 GLU H 3.58
&rst
ixpk= 0, nxpk= 0, iat= 820, 831, r1= 1.30, r2= 1.80, r3= 3.58, r4= 4.08, &end
#
# 35 GLU HB2 36 TYR H 3.92
&rst
ixpk= 0, nxpk= 0, iat= 525, 536, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42, &end
#
# 36 TYR HA 38 ASN H 2.93
&rst
ixpk= 0, nxpk= 0, iat= 538, 571, r1= 1.30, r2= 1.80, r3= 2.93, r4= 3.43, &end
#
# 20 LEU H 20 LEU HA 2.77
&rst
ixpk= 0, nxpk= 0, iat= 302, 304, r1= 1.30, r2= 1.80, r3= 2.77, r4= 3.27, &end
#
# 20 LEU H 20 LEU HB3 3.39
&rst
ixpk= 0, nxpk= 0, iat= 302, 307, r1= 1.30, r2= 1.80, r3= 3.39, r4= 3.89, &end
#
# 20 LEU H 20 LEU HB2 3.39
&rst
ixpk= 0, nxpk= 0, iat= 302, 306, r1= 1.30, r2= 1.80, r3= 3.39, r4= 3.89, &end
#
# 64 THR H 64 THR HB 2.77
&rst
ixpk= 0, nxpk= 0, iat= 975, 979, r1= 1.30, r2= 1.80, r3= 2.77, r4= 3.27, &end
#
# 33 CYX HA 48 PHE H 4.76
&rst
ixpk= 0, nxpk= 0, iat= 499, 705, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26, &end
#
# 50 HID H 50 HID HB2 4.11
&rst
ixpk= 0, nxpk= 0, iat= 744, 748, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61, &end
#
# 33 CYX HA 49 LEU H 3.76
&rst
ixpk= 0, nxpk= 0, iat= 499, 725, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26, &end
#
# 47 GLU HA 48 PHE H 3.48
&rst
ixpk= 0, nxpk= 0, iat= 692, 705, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98, &end
#
# 65 ARG HA 68 PHE HB2 3.39
&rst
ixpk= 0, nxpk= 0, iat= 991,1047, r1= 1.30, r2= 1.80, r3= 3.39, r4= 3.89, &end
#
# 76 LEU H 77 ALA H 2.55
&rst
ixpk= 0, nxpk= 0, iat=1189,1208, r1= 1.30, r2= 1.80, r3= 2.55, r4= 3.05, &end
#
# 75 LEU H 75 LEU HB3 3.39
&rst
ixpk= 0, nxpk= 0, iat=1170,1175, r1= 1.30, r2= 1.80, r3= 3.39, r4= 3.89, &end
#
# 75 LEU HB3 76 LEU H 3.17
&rst
ixpk= 0, nxpk= 0, iat=1175,1189, r1= 1.30, r2= 1.80, r3= 3.17, r4= 3.67, &end
#
# 71 ARG H 72 LYS H 2.62
&rst
ixpk= 0, nxpk= 0, iat=1102,1126, r1= 1.30, r2= 1.80, r3= 2.62, r4= 3.12, &end
#
# 71 ARG HA 74 ASP H 4.11
&rst
ixpk= 0, nxpk= 0, iat=1104,1158, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61, &end
#
# 70 LYS HA 73 ALA H 5.50
&rst
ixpk= 0, nxpk= 0, iat=1082,1148, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 70 LYS H 71 ARG H 2.65
&rst
ixpk= 0, nxpk= 0, iat=1080,1102, r1= 1.30, r2= 1.80, r3= 2.65, r4= 3.15, &end
#
# 45 THR HG1 46 CYX H 5.50
&rst
ixpk= 0, nxpk= 0, iat= 676, 680, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 45 THR H 45 THR HG1 3.83
&rst
ixpk= 0, nxpk= 0, iat= 666, 676, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33, &end
#
# 44 GLY H 45 THR HG1 5.50
&rst
ixpk= 0, nxpk= 0, iat= 659, 676, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 17 HIE HA 17 HIE HD2 4.54
&rst
ixpk= 0, nxpk= 0, iat= 263, 274, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04, &end
#
# 50 HID HA 50 HID HD2 3.39
&rst
ixpk= 0, nxpk= 0, iat= 746, 757, r1= 1.30, r2= 1.80, r3= 3.39, r4= 3.89, &end
#
# 48 PHE HA 48 PHE HD1 3.79
&rst
ixpk= 0, nxpk= 0, iat= 707, 713, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29, &end
#
# 52 ASN HA 52 ASN HD22 5.50
&rst
ixpk= 0, nxpk= 0, iat= 777, 785, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 52 ASN HA 52 ASN HD21 5.50
&rst
ixpk= 0, nxpk= 0, iat= 777, 784, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 15 PHE HE2 28 HID HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= 241, 416, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 25 PRO HD3 26 HIE HD2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 375, 400, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 24 CYX HA 26 HIE HD2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 365, 400, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 69 GLN HA 69 GLN HE21 5.50
&rst
ixpk= 0, nxpk= 0, iat=1065,1075, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 64 THR HA 68 PHE QD 7.63
&rst
ixpk= 0, nxpk= 0, iat= 977, -1, r1= 1.30, r2= 1.80, r3= 8.56, r4= 9.06,
igr2=1051,1059,
&end
#
# 69 GLN HA 69 GLN HE22 5.50
&rst
ixpk= 0, nxpk= 0, iat=1065,1076, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 11 ARG HA 28 HID HD2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 152, 427, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 36 TYR HA 36 TYR HD1 4.17
&rst
ixpk= 0, nxpk= 0, iat= 538, 544, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67, &end
#
# 36 TYR HA 36 TYR HE1 5.31
&rst
ixpk= 0, nxpk= 0, iat= 538, 546, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81, &end
#
# 32 VAL HA 50 HID HD2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 483, 757, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 12 CYX HA 26 HIE HD2 5.34
&rst
ixpk= 0, nxpk= 0, iat= 176, 400, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84, &end
#
# 46 CYX HA 50 HID HE1 5.50
&rst
ixpk= 0, nxpk= 0, iat= 682, 754, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 15 PHE HA 15 PHE HD2 3.98
&rst
ixpk= 0, nxpk= 0, iat= 229, 243, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48, &end
#
# 25 PRO HD2 26 HIE HD2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 374, 400, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 36 TYR HE1 37 PRO HA 4.42
&rst
ixpk= 0, nxpk= 0, iat= 546, 567, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92, &end
#
# 36 TYR HD1 37 PRO HA 3.86
&rst
ixpk= 0, nxpk= 0, iat= 544, 567, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36, &end
#
# 15 PHE HD2 16 PRO HA 3.67
&rst
ixpk= 0, nxpk= 0, iat= 243, 257, r1= 1.30, r2= 1.80, r3= 3.67, r4= 4.17, &end
#
# 41 LYS H 41 LYS HE2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 609, 622, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 12 CYX HB3 28 HID HD2 3.70
&rst
ixpk= 0, nxpk= 0, iat= 179, 427, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20, &end
#
# 58 MET H 58 MET HG2 4.29
&rst
ixpk= 0, nxpk= 0, iat= 865, 872, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79, &end
#
# 18 CYX HB2 28 HID HE1 3.86
&rst
ixpk= 0, nxpk= 0, iat= 282, 424, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36, &end
#
# 24 CYX HB2 28 HID HE1 4.07
&rst
ixpk= 0, nxpk= 0, iat= 367, 424, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57, &end
#
# 69 GLN H 69 GLN HG3 4.38
&rst
ixpk= 0, nxpk= 0, iat=1063,1071, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88, &end
#
# 62 GLU H 62 GLU HG3 4.66
&rst
ixpk= 0, nxpk= 0, iat= 936, 944, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16, &end
#
# 58 MET H 58 MET HG3 4.29
&rst
ixpk= 0, nxpk= 0, iat= 865, 873, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79, &end
#
# 17 HIE HD2 60 GLU HG2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 274, 911, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 66 GLU H 66 GLU HG2 4.32
&rst
ixpk= 0, nxpk= 0, iat=1013,1020, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82, &end
#
# 62 GLU H 62 GLU HG2 4.66
&rst
ixpk= 0, nxpk= 0, iat= 936, 943, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16, &end
#
# 17 HIE HD2 60 GLU HG3 5.50
&rst
ixpk= 0, nxpk= 0, iat= 274, 912, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 41 LYS HB2 46 CYX H 5.50
&rst
ixpk= 0, nxpk= 0, iat= 613, 680, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 25 PRO HB2 26 HIE HD2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 380, 400, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 33 CYX H 51 PRO HD3 5.50
&rst
ixpk= 0, nxpk= 0, iat= 497, 763, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 41 LYS HB3 46 CYX H 5.50
&rst
ixpk= 0, nxpk= 0, iat= 614, 680, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 11 ARG HE 29 PRO HG2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 163, 435, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 15 PHE HE2 28 HID HB3 4.01
&rst
ixpk= 0, nxpk= 0, iat= 241, 419, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51, &end
#
# 65 ARG H 65 ARG HG2 4.79
&rst
ixpk= 0, nxpk= 0, iat= 989, 996, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29, &end
#
# 41 LYS H 41 LYS HG3 4.07
&rst
ixpk= 0, nxpk= 0, iat= 609, 617, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57, &end
#
# 31 LYS HG3 48 PHE HE1 5.50
&rst
ixpk= 0, nxpk= 0, iat= 467, 715, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 31 LYS HG3 48 PHE HD1 5.07
&rst
ixpk= 0, nxpk= 0, iat= 467, 713, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57, &end
#
# 41 LYS H 41 LYS HG2 4.07
&rst
ixpk= 0, nxpk= 0, iat= 609, 616, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57, &end
#
# 33 CYX H 49 LEU HB3 5.50
&rst
ixpk= 0, nxpk= 0, iat= 497, 730, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 31 LYS HG2 48 PHE HD1 5.07
&rst
ixpk= 0, nxpk= 0, iat= 466, 713, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57, &end
#
# 31 LYS HG2 48 PHE HE1 5.50
&rst
ixpk= 0, nxpk= 0, iat= 466, 715, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 37 PRO HG3 38 ASN H 5.50
&rst
ixpk= 0, nxpk= 0, iat= 562, 571, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 33 CYX H 49 LEU HG 5.50
&rst
ixpk= 0, nxpk= 0, iat= 497, 732, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 49 LEU HG 50 HID H 5.50
&rst
ixpk= 0, nxpk= 0, iat= 732, 744, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 33 CYX H 49 LEU HB2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 497, 729, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 11 ARG HG3 12 CYX H 4.82
&rst
ixpk= 0, nxpk= 0, iat= 158, 174, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32, &end
#
# 11 ARG H 11 ARG HG3 5.22
&rst
ixpk= 0, nxpk= 0, iat= 150, 158, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72, &end
#
# 16 PRO HG2 17 HIE H 5.50
&rst
ixpk= 0, nxpk= 0, iat= 251, 261, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 16 PRO HG3 17 HIE H 5.50
&rst
ixpk= 0, nxpk= 0, iat= 252, 261, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 15 PHE HE1 16 PRO HB3 5.50
&rst
ixpk= 0, nxpk= 0, iat= 237, 255, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 15 PHE HD2 16 PRO HB3 5.50
&rst
ixpk= 0, nxpk= 0, iat= 243, 255, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 50 HID H 50 HID HD2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 744, 757, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 36 TYR HD1 50 HID H 5.50
&rst
ixpk= 0, nxpk= 0, iat= 544, 744, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 33 CYX H 48 PHE HD1 5.50
&rst
ixpk= 0, nxpk= 0, iat= 497, 713, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 11 ARG HE 46 CYX H 5.50
&rst
ixpk= 0, nxpk= 0, iat= 163, 680, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 13 ARG H 26 HIE HD2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 184, 400, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 48 PHE H 48 PHE HE2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 705, 719, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 48 PHE H 50 HID HE1 5.50
&rst
ixpk= 0, nxpk= 0, iat= 705, 754, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 17 HIE H 17 HIE HD2 5.22
&rst
ixpk= 0, nxpk= 0, iat= 261, 274, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72, &end
#
# 15 PHE HD1 17 HIE H 5.50
&rst
ixpk= 0, nxpk= 0, iat= 235, 261, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 34 ASN H 48 PHE HD2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 507, 721, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 26 HIE H 26 HIE HD2 5.22
&rst
ixpk= 0, nxpk= 0, iat= 387, 400, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72, &end
#
# 30 THR H 48 PHE HD1 5.50
&rst
ixpk= 0, nxpk= 0, iat= 445, 713, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 41 LYS H 50 HID HE1 4.66
&rst
ixpk= 0, nxpk= 0, iat= 609, 754, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16, &end
#
# 46 CYX H 50 HID HE1 5.50
&rst
ixpk= 0, nxpk= 0, iat= 680, 754, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 24 CYX H 28 HID HE1 5.50
&rst
ixpk= 0, nxpk= 0, iat= 363, 424, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 68 PHE H 68 PHE QD 7.63
&rst
ixpk= 0, nxpk= 0, iat=1043, -1, r1= 1.30, r2= 1.80, r3= 8.56, r4= 9.06,
igr2=1051,1059,
&end
#
# 15 PHE H 15 PHE HD1 5.50
&rst
ixpk= 0, nxpk= 0, iat= 227, 235, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 36 TYR HD1 52 ASN H 5.50
&rst
ixpk= 0, nxpk= 0, iat= 544, 775, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 21 GLY H 28 HID HE1 4.11
&rst
ixpk= 0, nxpk= 0, iat= 321, 424, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61, &end
#
# 38 ASN H 38 ASN HD21 5.50
&rst
ixpk= 0, nxpk= 0, iat= 571, 580, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 36 TYR H 36 TYR HD2 5.07
&rst
ixpk= 0, nxpk= 0, iat= 536, 553, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57, &end
#
# 48 PHE H 48 PHE HD2 4.17
&rst
ixpk= 0, nxpk= 0, iat= 705, 721, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67, &end
#
# 48 PHE HD1 49 LEU H 4.91
&rst
ixpk= 0, nxpk= 0, iat= 713, 725, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41, &end
#
# 34 ASN H 48 PHE HD1 5.50
&rst
ixpk= 0, nxpk= 0, iat= 507, 713, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 31 LYS H 48 PHE HD1 4.94
&rst
ixpk= 0, nxpk= 0, iat= 459, 713, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44, &end
#
# 39 CYX H 50 HID HE1 5.50
&rst
ixpk= 0, nxpk= 0, iat= 585, 754, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 36 TYR HD1 39 CYX H 5.50
&rst
ixpk= 0, nxpk= 0, iat= 544, 585, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 68 PHE QD 69 GLN H 7.63
&rst
ixpk= 0, nxpk= 0, iat= -1,1063, r1= 1.30, r2= 1.80, r3= 8.56, r4= 9.06,
igr1=1051,1059,
&end
#
# 36 TYR HE1 52 ASN H 4.14
&rst
ixpk= 0, nxpk= 0, iat= 546, 775, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64, &end
#
# 49 LEU H 50 HID HD2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 725, 757, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 33 CYX H 50 HID HD2 4.38
&rst
ixpk= 0, nxpk= 0, iat= 497, 757, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88, &end
#
# 36 TYR HD2 38 ASN H 5.50
&rst
ixpk= 0, nxpk= 0, iat= 553, 571, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 12 CYX H 28 HID HD2 4.45
&rst
ixpk= 0, nxpk= 0, iat= 174, 427, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95, &end
#
# 28 HID H 28 HID HD2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 414, 427, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 27 ALA H 28 HID HD2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 404, 427, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 44 GLY H 53 GLU HB2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 659, 793, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 44 GLY H 53 GLU HB3 5.50
&rst
ixpk= 0, nxpk= 0, iat= 659, 794, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 33 CYX H 51 PRO HD2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 497, 762, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 33 CYX H 48 PHE HB3 5.04
&rst
ixpk= 0, nxpk= 0, iat= 497, 710, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54, &end
#
# 56 GLU H 56 GLU HG3 4.32
&rst
ixpk= 0, nxpk= 0, iat= 831, 839, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82, &end
#
# 49 LEU H 49 LEU HG 3.67
&rst
ixpk= 0, nxpk= 0, iat= 725, 732, r1= 1.30, r2= 1.80, r3= 3.67, r4= 4.17, &end
#
# 41 LYS H 41 LYS HE3 5.50
&rst
ixpk= 0, nxpk= 0, iat= 609, 623, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 39 CYX HB3 50 HID HE1 3.76
&rst
ixpk= 0, nxpk= 0, iat= 590, 754, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26, &end
#
# 11 ARG HE 47 GLU HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= 163, 692, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 11 ARG HE 29 PRO HG3 5.50
&rst
ixpk= 0, nxpk= 0, iat= 163, 436, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 57 LEU H 57 LEU HG 5.04
&rst
ixpk= 0, nxpk= 0, iat= 846, 853, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54, &end
#
# 31 LYS HB2 48 PHE HD1 4.17
&rst
ixpk= 0, nxpk= 0, iat= 463, 713, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67, &end
#
# 68 PHE QD 69 GLN HG3 7.63
&rst
ixpk= 0, nxpk= 0, iat= -1,1071, r1= 1.30, r2= 1.80, r3= 8.56, r4= 9.06,
igr1=1051,1059,
&end
#
# 68 PHE QD 69 GLN HG2 7.63
&rst
ixpk= 0, nxpk= 0, iat= -1,1070, r1= 1.30, r2= 1.80, r3= 8.56, r4= 9.06,
igr1=1051,1059,
&end
#
# 16 PRO HG3 17 HIE HD2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 252, 274, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 33 CYX HA 50 HID HD2 5.16
&rst
ixpk= 0, nxpk= 0, iat= 499, 757, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66, &end
#
# 33 CYX HB2 50 HID HD2 3.14
&rst
ixpk= 0, nxpk= 0, iat= 501, 757, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64, &end
#
# 36 TYR HD1 39 CYX HB3 5.50
&rst
ixpk= 0, nxpk= 0, iat= 544, 590, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 28 HID HA 28 HID HD2 3.42
&rst
ixpk= 0, nxpk= 0, iat= 416, 427, r1= 1.30, r2= 1.80, r3= 3.42, r4= 3.92, &end
#
# 15 PHE HD1 57 LEU HG 5.50
&rst
ixpk= 0, nxpk= 0, iat= 235, 853, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 41 LYS HA 42 PRO HD2 3.48
&rst
ixpk= 0, nxpk= 0, iat= 611, 632, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98, &end
#
# 41 LYS HA 42 PRO HD3 3.48
&rst
ixpk= 0, nxpk= 0, iat= 611, 633, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98, &end
#
# 41 LYS HE3 45 THR HB 5.50
&rst
ixpk= 0, nxpk= 0, iat= 623, 670, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 63 ARG HA 63 ARG HD2 3.92
&rst
ixpk= 0, nxpk= 0, iat= 953, 961, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42, &end
#
# 42 PRO HB3 43 PRO HD2 4.72
&rst
ixpk= 0, nxpk= 0, iat= 639, 646, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, &end
#
# 12 CYX HA 26 HIE HB2 4.11
&rst
ixpk= 0, nxpk= 0, iat= 176, 391, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61, &end
#
# 42 PRO HB2 43 PRO HD3 4.72
&rst
ixpk= 0, nxpk= 0, iat= 638, 647, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, &end
#
# 50 HID HB2 53 GLU HB2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 748, 793, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 50 HID HB3 53 GLU HB3 5.50
&rst
ixpk= 0, nxpk= 0, iat= 749, 794, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 41 LYS HD3 46 CYX HA 4.79
&rst
ixpk= 0, nxpk= 0, iat= 620, 682, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29, &end
#
# 42 PRO HD2 45 THR HG1 5.50
&rst
ixpk= 0, nxpk= 0, iat= 632, 676, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 42 PRO HD3 45 THR HG1 5.50
&rst
ixpk= 0, nxpk= 0, iat= 633, 676, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 41 LYS HB3 45 THR HG1 5.50
&rst
ixpk= 0, nxpk= 0, iat= 614, 676, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 41 LYS HG3 45 THR HG1 5.50
&rst
ixpk= 0, nxpk= 0, iat= 617, 676, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 69 GLN H 69 GLN HG2 4.38
&rst
ixpk= 0, nxpk= 0, iat=1063,1070, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88, &end
#
# 65 ARG HA 68 PHE QD 7.63
&rst
ixpk= 0, nxpk= 0, iat= 991, -1, r1= 1.30, r2= 1.80, r3= 8.56, r4= 9.06,
igr2=1051,1059,
&end
#
# 38 ASN H 38 ASN HD22 5.50
&rst
ixpk= 0, nxpk= 0, iat= 571, 581, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 39 CYX HB2 50 HID HE1 3.98
&rst
ixpk= 0, nxpk= 0, iat= 589, 754, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48, &end
#
# 15 PHE HD2 16 PRO HB2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 243, 254, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 15 PHE HE2 28 HID HB2 4.01
&rst
ixpk= 0, nxpk= 0, iat= 241, 418, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51, &end
#
# 56 GLU H 56 GLU HG2 4.32
&rst
ixpk= 0, nxpk= 0, iat= 831, 838, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82, &end
#
# 36 TYR HD1 51 PRO HD2 5.44
&rst
ixpk= 0, nxpk= 0, iat= 544, 762, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94, &end
#
# 36 TYR HE2 51 PRO HG3 5.50
&rst
ixpk= 0, nxpk= 0, iat= 551, 766, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 20 LEU H 20 LEU HG 3.11
&rst
ixpk= 0, nxpk= 0, iat= 302, 309, r1= 1.30, r2= 1.80, r3= 3.11, r4= 3.61, &end
#
# 33 CYX H 48 PHE HB2 5.04
&rst
ixpk= 0, nxpk= 0, iat= 497, 709, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54, &end
#
# 65 ARG H 65 ARG HG3 4.79
&rst
ixpk= 0, nxpk= 0, iat= 989, 997, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29, &end
#
# 11 ARG H 11 ARG HG2 5.22
&rst
ixpk= 0, nxpk= 0, iat= 150, 157, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72, &end
#
# 11 ARG HG2 12 CYX H 4.82
&rst
ixpk= 0, nxpk= 0, iat= 157, 174, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32, &end
#
# 37 PRO HG2 38 ASN H 5.50
&rst
ixpk= 0, nxpk= 0, iat= 561, 571, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 12 CYX HA 26 HIE HB3 4.11
&rst
ixpk= 0, nxpk= 0, iat= 176, 392, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61, &end
#
# 47 GLU H 48 PHE HD2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 690, 721, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 31 LYS H 49 LEU HG 5.04
&rst
ixpk= 0, nxpk= 0, iat= 459, 732, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54, &end
#
# 66 GLU H 66 GLU HG3 4.32
&rst
ixpk= 0, nxpk= 0, iat=1013,1021, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82, &end
#
# 41 LYS HD2 46 CYX HA 4.79
&rst
ixpk= 0, nxpk= 0, iat= 619, 682, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29, &end
#
# 41 LYS HE2 45 THR HB 5.50
&rst
ixpk= 0, nxpk= 0, iat= 622, 670, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 41 LYS HG2 45 THR HG1 5.50
&rst
ixpk= 0, nxpk= 0, iat= 616, 676, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 41 LYS HB2 45 THR HG1 5.50
&rst
ixpk= 0, nxpk= 0, iat= 613, 676, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 48 PHE H 50 HID HD2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 705, 757, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 32 VAL HA 49 LEU HB2 3.64
&rst
ixpk= 0, nxpk= 0, iat= 483, 729, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14, &end
#
# 63 ARG HA 63 ARG HD3 3.92
&rst
ixpk= 0, nxpk= 0, iat= 953, 962, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42, &end
#
# 48 PHE HD1 49 LEU HG 5.50
&rst
ixpk= 0, nxpk= 0, iat= 713, 732, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 72 LYS HA 75 LEU HG 3.24
&rst
ixpk= 0, nxpk= 0, iat=1128,1177, r1= 1.30, r2= 1.80, r3= 3.24, r4= 3.74, &end
#
# 63 ARG HD2 64 THR H 4.01
&rst
ixpk= 0, nxpk= 0, iat= 961, 975, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51, &end
#
# 63 ARG HD3 64 THR H 4.01
&rst
ixpk= 0, nxpk= 0, iat= 962, 975, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51, &end
#
# 15 PHE HE1 57 LEU HG 5.50
&rst
ixpk= 0, nxpk= 0, iat= 237, 853, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 64 THR HA 68 PHE QE 7.63
&rst
ixpk= 0, nxpk= 0, iat= 977, -1, r1= 1.30, r2= 1.80, r3= 8.56, r4= 9.06,
igr2=1053,1057,
&end
#
# 15 PHE HD2 18 CYX H 5.50
&rst
ixpk= 0, nxpk= 0, iat= 243, 278, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 34 ASN H 48 PHE HE2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 507, 719, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 50 HID H 58 MET QE 6.52
&rst
ixpk= 0, nxpk= 0, iat= 744, -1, r1= 1.30, r2= 1.80, r3= 7.83, r4= 8.33,
igr2= 876, 877, 878,
&end
#
# 73 ALA QB 74 ASP H 4.94
&rst
ixpk= 0, nxpk= 0, iat= -1,1158, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43,
igr1=1152,1153,1154,
&end
#
# 15 PHE HE2 30 THR QG2 5.19
&rst
ixpk= 0, nxpk= 0, iat= 241, -1, r1= 1.30, r2= 1.80, r3= 6.23, r4= 6.73,
igr2= 451, 452, 453,
&end
#
# 15 PHE HZ 30 THR QG2 4.94
&rst
ixpk= 0, nxpk= 0, iat= 239, -1, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43,
igr2= 451, 452, 453,
&end
#
# 27 ALA QB 28 HID HD2 6.52
&rst
ixpk= 0, nxpk= 0, iat= -1, 427, r1= 1.30, r2= 1.80, r3= 7.83, r4= 8.33,
igr1= 408, 409, 410,
&end
#
# 27 ALA QB 48 PHE H 6.52
&rst
ixpk= 0, nxpk= 0, iat= -1, 705, r1= 1.30, r2= 1.80, r3= 7.83, r4= 8.33,
igr1= 408, 409, 410,
&end
#
# 17 HIE HE1 64 THR QG2 5.00
&rst
ixpk= 0, nxpk= 0, iat= 270, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr2= 981, 982, 983,
&end
#
# 20 LEU H 20 LEU QD1 5.74
&rst
ixpk= 0, nxpk= 0, iat= 302, -1, r1= 1.30, r2= 1.80, r3= 6.89, r4= 7.39,
igr2= 311, 312, 313,
&end
#
# 44 GLY H 45 THR QG2 6.52
&rst
ixpk= 0, nxpk= 0, iat= 659, -1, r1= 1.30, r2= 1.80, r3= 7.83, r4= 8.33,
igr2= 672, 673, 674,
&end
#
# 45 THR H 45 THR QG2 4.66
&rst
ixpk= 0, nxpk= 0, iat= 666, -1, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,
igr2= 672, 673, 674,
&end
#
# 20 LEU QD1 21 GLY H 6.52
&rst
ixpk= 0, nxpk= 0, iat= -1, 321, r1= 1.30, r2= 1.80, r3= 7.83, r4= 8.33,
igr1= 311, 312, 313,
&end
#
# 20 LEU QD1 24 CYX H 6.52
&rst
ixpk= 0, nxpk= 0, iat= -1, 363, r1= 1.30, r2= 1.80, r3= 7.83, r4= 8.33,
igr1= 311, 312, 313,
&end
#
# 57 LEU QD1 58 MET H 6.52
&rst
ixpk= 0, nxpk= 0, iat= -1, 865, r1= 1.30, r2= 1.80, r3= 7.83, r4= 8.33,
igr1= 855, 856, 857,
&end
#
# 15 PHE HE1 57 LEU QD1 5.43
&rst
ixpk= 0, nxpk= 0, iat= 237, -1, r1= 1.30, r2= 1.80, r3= 6.52, r4= 7.02,
igr2= 855, 856, 857,
&end
#
# 14 LEU H 14 LEU QD2 5.99
&rst
ixpk= 0, nxpk= 0, iat= 208, -1, r1= 1.30, r2= 1.80, r3= 7.19, r4= 7.69,
igr2= 221, 222, 223,
&end
#
# 57 LEU QD2 58 MET H 6.52
&rst
ixpk= 0, nxpk= 0, iat= -1, 865, r1= 1.30, r2= 1.80, r3= 7.83, r4= 8.33,
igr1= 859, 860, 861,
&end
#
# 20 LEU QD2 21 GLY H 6.52
&rst
ixpk= 0, nxpk= 0, iat= -1, 321, r1= 1.30, r2= 1.80, r3= 7.83, r4= 8.33,
igr1= 315, 316, 317,
&end
#
# 20 LEU QD2 24 CYX H 6.52
&rst
ixpk= 0, nxpk= 0, iat= -1, 363, r1= 1.30, r2= 1.80, r3= 7.83, r4= 8.33,
igr1= 315, 316, 317,
&end
#
# 49 LEU H 49 LEU QD2 6.18
&rst
ixpk= 0, nxpk= 0, iat= 725, -1, r1= 1.30, r2= 1.80, r3= 7.42, r4= 7.92,
igr2= 738, 739, 740,
&end
#
# 31 LYS H 49 LEU QD2 6.52
&rst
ixpk= 0, nxpk= 0, iat= 459, -1, r1= 1.30, r2= 1.80, r3= 7.83, r4= 8.33,
igr2= 738, 739, 740,
&end
#
# 15 PHE HZ 49 LEU QD2 6.52
&rst
ixpk= 0, nxpk= 0, iat= 239, -1, r1= 1.30, r2= 1.80, r3= 7.83, r4= 8.33,
igr2= 738, 739, 740,
&end
#
# 49 LEU QD2 50 HID H 5.77
&rst
ixpk= 0, nxpk= 0, iat= -1, 744, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 738, 739, 740,
&end
#
# 49 LEU QD2 58 MET H 6.52
&rst
ixpk= 0, nxpk= 0, iat= -1, 865, r1= 1.30, r2= 1.80, r3= 7.83, r4= 8.33,
igr1= 738, 739, 740,
&end
#
# 15 PHE HD1 49 LEU QD2 6.52
&rst
ixpk= 0, nxpk= 0, iat= 235, -1, r1= 1.30, r2= 1.80, r3= 7.83, r4= 8.33,
igr2= 738, 739, 740,
&end
#
# 49 LEU QD1 50 HID H 6.52
&rst
ixpk= 0, nxpk= 0, iat= -1, 744, r1= 1.30, r2= 1.80, r3= 7.83, r4= 8.33,
igr1= 734, 735, 736,
&end
#
# 33 CYX H 49 LEU QD1 6.52
&rst
ixpk= 0, nxpk= 0, iat= 497, -1, r1= 1.30, r2= 1.80, r3= 7.83, r4= 8.33,
igr2= 734, 735, 736,
&end
#
# 49 LEU H 49 LEU QD1 5.37
&rst
ixpk= 0, nxpk= 0, iat= 725, -1, r1= 1.30, r2= 1.80, r3= 6.45, r4= 6.95,
igr2= 734, 735, 736,
&end
#
# 30 THR H 49 LEU QD1 6.52
&rst
ixpk= 0, nxpk= 0, iat= 445, -1, r1= 1.30, r2= 1.80, r3= 7.83, r4= 8.33,
igr2= 734, 735, 736,
&end
#
# 31 LYS H 49 LEU QD1 6.15
&rst
ixpk= 0, nxpk= 0, iat= 459, -1, r1= 1.30, r2= 1.80, r3= 7.39, r4= 7.89,
igr2= 734, 735, 736,
&end
#
# 45 THR QG2 46 CYX H 6.52
&rst
ixpk= 0, nxpk= 0, iat= -1, 680, r1= 1.30, r2= 1.80, r3= 7.83, r4= 8.33,
igr1= 672, 673, 674,
&end
#
# 27 ALA QB 28 HID H 4.91
&rst
ixpk= 0, nxpk= 0, iat= -1, 414, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,
igr1= 408, 409, 410,
&end
#
# 30 THR H 30 THR QG2 5.03
&rst
ixpk= 0, nxpk= 0, iat= 445, -1, r1= 1.30, r2= 1.80, r3= 6.04, r4= 6.54,
igr2= 451, 452, 453,
&end
#
# 20 LEU H 20 LEU QD2 5.74
&rst
ixpk= 0, nxpk= 0, iat= 302, -1, r1= 1.30, r2= 1.80, r3= 6.89, r4= 7.39,
igr2= 315, 316, 317,
&end
#
# 27 ALA H 27 ALA QB 4.04
&rst
ixpk= 0, nxpk= 0, iat= 404, -1, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
igr2= 408, 409, 410,
&end
#
# 75 LEU H 75 LEU QD2 6.02
&rst
ixpk= 0, nxpk= 0, iat=1170, -1, r1= 1.30, r2= 1.80, r3= 7.23, r4= 7.73,
igr2=1183,1184,1185,
&end
#
# 75 LEU H 75 LEU QD1 6.02
&rst
ixpk= 0, nxpk= 0, iat=1170, -1, r1= 1.30, r2= 1.80, r3= 7.23, r4= 7.73,
igr2=1179,1180,1181,
&end
#
# 64 THR H 64 THR QG2 5.03
&rst
ixpk= 0, nxpk= 0, iat= 975, -1, r1= 1.30, r2= 1.80, r3= 6.04, r4= 6.54,
igr2= 981, 982, 983,
&end
#
# 30 THR QG2 31 LYS H 5.96
&rst
ixpk= 0, nxpk= 0, iat= -1, 459, r1= 1.30, r2= 1.80, r3= 7.16, r4= 7.66,
igr1= 451, 452, 453,
&end
#
# 64 THR QG2 65 ARG H 5.59
&rst
ixpk= 0, nxpk= 0, iat= -1, 989, r1= 1.30, r2= 1.80, r3= 6.71, r4= 7.21,
igr1= 981, 982, 983,
&end
#
# 15 PHE HE1 57 LEU QD2 5.43
&rst
ixpk= 0, nxpk= 0, iat= 237, -1, r1= 1.30, r2= 1.80, r3= 6.52, r4= 7.02,
igr2= 859, 860, 861,
&end
#
# 15 PHE HZ 49 LEU QD1 6.52
&rst
ixpk= 0, nxpk= 0, iat= 239, -1, r1= 1.30, r2= 1.80, r3= 7.83, r4= 8.33,
igr2= 734, 735, 736,
&end
#
# 15 PHE HZ 57 LEU QD1 6.52
&rst
ixpk= 0, nxpk= 0, iat= 239, -1, r1= 1.30, r2= 1.80, r3= 7.83, r4= 8.33,
igr2= 855, 856, 857,
&end
#
# 15 PHE HD2 61 MET QE 6.52
&rst
ixpk= 0, nxpk= 0, iat= 243, -1, r1= 1.30, r2= 1.80, r3= 7.83, r4= 8.33,
igr2= 930, 931, 932,
&end
#
# 15 PHE HD1 57 LEU QD1 5.93
&rst
ixpk= 0, nxpk= 0, iat= 235, -1, r1= 1.30, r2= 1.80, r3= 7.12, r4= 7.62,
igr2= 855, 856, 857,
&end
#
# 15 PHE HD1 57 LEU QD2 5.93
&rst
ixpk= 0, nxpk= 0, iat= 235, -1, r1= 1.30, r2= 1.80, r3= 7.12, r4= 7.62,
igr2= 859, 860, 861,
&end
#
# 31 LYS HA 49 LEU QD1 6.02
&rst
ixpk= 0, nxpk= 0, iat= 461, -1, r1= 1.30, r2= 1.80, r3= 7.23, r4= 7.73,
igr2= 734, 735, 736,
&end
#
# 45 THR HA 45 THR QG2 4.04
&rst
ixpk= 0, nxpk= 0, iat= 668, -1, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
igr2= 672, 673, 674,
&end
#
# 74 ASP HA 77 ALA QB 5.31
&rst
ixpk= 0, nxpk= 0, iat=1160, -1, r1= 1.30, r2= 1.80, r3= 6.38, r4= 6.88,
igr2=1212,1213,1214,
&end
#
# 75 LEU HA 75 LEU QD2 4.72
&rst
ixpk= 0, nxpk= 0, iat=1172, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr2=1183,1184,1185,
&end
#
# 49 LEU HA 49 LEU QD1 5.87
&rst
ixpk= 0, nxpk= 0, iat= 727, -1, r1= 1.30, r2= 1.80, r3= 7.05, r4= 7.55,
igr2= 734, 735, 736,
&end
#
# 57 LEU HA 57 LEU QD1 4.97
&rst
ixpk= 0, nxpk= 0, iat= 848, -1, r1= 1.30, r2= 1.80, r3= 5.97, r4= 6.47,
igr2= 855, 856, 857,
&end
#
# 49 LEU QD2 58 MET HA 6.52
&rst
ixpk= 0, nxpk= 0, iat= -1, 867, r1= 1.30, r2= 1.80, r3= 7.83, r4= 8.33,
igr1= 738, 739, 740,
&end
#
# 51 PRO HA 58 MET QE 4.44
&rst
ixpk= 0, nxpk= 0, iat= 771, -1, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83,
igr2= 876, 877, 878,
&end
#
# 32 VAL HA 49 LEU QD2 6.52
&rst
ixpk= 0, nxpk= 0, iat= 483, -1, r1= 1.30, r2= 1.80, r3= 7.83, r4= 8.33,
igr2= 738, 739, 740,
&end
#
# 32 VAL HA 49 LEU QD1 5.81
&rst
ixpk= 0, nxpk= 0, iat= 483, -1, r1= 1.30, r2= 1.80, r3= 6.98, r4= 7.48,
igr2= 734, 735, 736,
&end
#
# 61 MET HA 64 THR QG2 5.53
&rst
ixpk= 0, nxpk= 0, iat= 921, -1, r1= 1.30, r2= 1.80, r3= 6.64, r4= 7.14,
igr2= 981, 982, 983,
&end
#
# 29 PRO HD2 49 LEU QD2 6.52
&rst
ixpk= 0, nxpk= 0, iat= 432, -1, r1= 1.30, r2= 1.80, r3= 7.83, r4= 8.33,
igr2= 738, 739, 740,
&end
#
# 29 PRO HD3 49 LEU QD2 6.52
&rst
ixpk= 0, nxpk= 0, iat= 433, -1, r1= 1.30, r2= 1.80, r3= 7.83, r4= 8.33,
igr2= 738, 739, 740,
&end
#
# 49 LEU QD2 58 MET HG3 5.40
&rst
ixpk= 0, nxpk= 0, iat= -1, 873, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
igr1= 738, 739, 740,
&end
#
# 49 LEU QD2 61 MET QE 7.54
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.87, r4=11.37,
igr1= 738, 739, 740,
igr2= 930, 931, 932,
&end
#
# 42 PRO HG3 45 THR QG2 4.91
&rst
ixpk= 0, nxpk= 0, iat= 636, -1, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,
igr2= 672, 673, 674,
&end
#
# 42 PRO HG2 45 THR QG2 4.91
&rst
ixpk= 0, nxpk= 0, iat= 635, -1, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,
igr2= 672, 673, 674,
&end
#
# 57 LEU QD1 61 MET QE 7.54
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.87, r4=11.37,
igr1= 855, 856, 857,
igr2= 930, 931, 932,
&end
#
# 49 LEU QD2 57 LEU QD1 7.54
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.87, r4=11.37,
igr1= 738, 739, 740,
igr2= 855, 856, 857,
&end
#
# 49 LEU QD2 57 LEU QD2 7.54
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.87, r4=11.37,
igr1= 738, 739, 740,
igr2= 859, 860, 861,
&end
#
# 49 LEU QD2 58 MET QE 7.54
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.87, r4=11.37,
igr1= 738, 739, 740,
igr2= 876, 877, 878,
&end
#
# 49 LEU QD2 57 LEU HG 6.52
&rst
ixpk= 0, nxpk= 0, iat= -1, 853, r1= 1.30, r2= 1.80, r3= 7.83, r4= 8.33,
igr1= 738, 739, 740,
&end
#
# 29 PRO HG3 49 LEU QD2 5.93
&rst
ixpk= 0, nxpk= 0, iat= 436, -1, r1= 1.30, r2= 1.80, r3= 7.12, r4= 7.62,
igr2= 738, 739, 740,
&end
#
# 76 LEU H 76 LEU QD1 5.99
&rst
ixpk= 0, nxpk= 0, iat=1189, -1, r1= 1.30, r2= 1.80, r3= 7.19, r4= 7.69,
igr2=1198,1199,1200,
&end
#
# 76 LEU H 76 LEU QD2 5.99
&rst
ixpk= 0, nxpk= 0, iat=1189, -1, r1= 1.30, r2= 1.80, r3= 7.19, r4= 7.69,
igr2=1202,1203,1204,
&end
#
# 14 LEU H 14 LEU QD1 5.99
&rst
ixpk= 0, nxpk= 0, iat= 208, -1, r1= 1.30, r2= 1.80, r3= 7.19, r4= 7.69,
igr2= 217, 218, 219,
&end
#
# 15 PHE HE1 49 LEU QD1 6.52
&rst
ixpk= 0, nxpk= 0, iat= 237, -1, r1= 1.30, r2= 1.80, r3= 7.83, r4= 8.33,
igr2= 734, 735, 736,
&end
#
# 27 ALA QB 47 GLU H 6.52
&rst
ixpk= 0, nxpk= 0, iat= -1, 690, r1= 1.30, r2= 1.80, r3= 7.83, r4= 8.33,
igr1= 408, 409, 410,
&end
#
# 57 LEU QD2 61 MET QE 7.54
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.87, r4=11.37,
igr1= 859, 860, 861,
igr2= 930, 931, 932,
&end
#
# 15 PHE HZ 57 LEU QD2 6.52
&rst
ixpk= 0, nxpk= 0, iat= 239, -1, r1= 1.30, r2= 1.80, r3= 7.83, r4= 8.33,
igr2= 859, 860, 861,
&end
#
# 75 LEU HB3 75 LEU QD1 3.42
&rst
ixpk= 0, nxpk= 0, iat=1175, -1, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,
igr2=1179,1180,1181,
&end
#
# 75 LEU HB3 75 LEU QD2 3.42
&rst
ixpk= 0, nxpk= 0, iat=1175, -1, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,
igr2=1183,1184,1185,
&end
#
# 75 LEU HA 75 LEU QD1 4.72
&rst
ixpk= 0, nxpk= 0, iat=1172, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr2=1179,1180,1181,
&end
#
# 75 LEU HB2 75 LEU QD2 3.42
&rst
ixpk= 0, nxpk= 0, iat=1174, -1, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,
igr2=1183,1184,1185,
&end
#
# 75 LEU HB2 75 LEU QD1 3.42
&rst
ixpk= 0, nxpk= 0, iat=1174, -1, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,
igr2=1179,1180,1181,
&end
#
# 15 PHE HZ 61 MET QE 4.78
&rst
ixpk= 0, nxpk= 0, iat= 239, -1, r1= 1.30, r2= 1.80, r3= 5.74, r4= 6.24,
igr2= 930, 931, 932,
&end
#
# 11 ARG HA 27 ALA QB 4.32
&rst
ixpk= 0, nxpk= 0, iat= 152, -1, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,
igr2= 408, 409, 410,
&end
#
# 15 PHE HA 16 PRO HA 2.83
&rst
ixpk= 0, nxpk= 0, iat= 229, 257, r1= 1.30, r2= 1.80, r3= 2.83, r4= 3.33, &end
#
# 54 ASP HA 57 LEU HB2 4.69
&rst
ixpk= 0, nxpk= 0, iat= 806, 850, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19, &end
#
# 54 ASP HA 57 LEU HB3 4.69
&rst
ixpk= 0, nxpk= 0, iat= 806, 851, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19, &end
#
# 33 CYX HA 48 PHE HA 4.76
&rst
ixpk= 0, nxpk= 0, iat= 499, 707, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26, &end
#
# 14 LEU HB3 18 CYX HA 3.42
&rst
ixpk= 0, nxpk= 0, iat= 213, 280, r1= 1.30, r2= 1.80, r3= 3.42, r4= 3.92, &end
#
# 14 LEU HB2 18 CYX HA 3.42
&rst
ixpk= 0, nxpk= 0, iat= 212, 280, r1= 1.30, r2= 1.80, r3= 3.42, r4= 3.92, &end
#
# 57 LEU HA 60 GLU HB3 2.83
&rst
ixpk= 0, nxpk= 0, iat= 848, 909, r1= 1.30, r2= 1.80, r3= 2.83, r4= 3.33, &end
#
# 57 LEU HA 60 GLU HB2 2.83
&rst
ixpk= 0, nxpk= 0, iat= 848, 908, r1= 1.30, r2= 1.80, r3= 2.83, r4= 3.33, &end
#
# 64 THR HA 67 GLU HB3 3.36
&rst
ixpk= 0, nxpk= 0, iat= 977,1033, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86, &end
#
# 64 THR HA 67 GLU HB2 3.36
&rst
ixpk= 0, nxpk= 0, iat= 977,1032, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86, &end
#
# 65 ARG HA 68 PHE HB3 3.39
&rst
ixpk= 0, nxpk= 0, iat= 991,1048, r1= 1.30, r2= 1.80, r3= 3.39, r4= 3.89, &end
#
# 36 TYR HB3 37 PRO HA 4.48
&rst
ixpk= 0, nxpk= 0, iat= 541, 567, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98, &end
#
# 36 TYR HB2 37 PRO HA 4.48
&rst
ixpk= 0, nxpk= 0, iat= 540, 567, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98, &end
#
# 36 TYR HA 39 CYX HB2 4.48
&rst
ixpk= 0, nxpk= 0, iat= 538, 589, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98, &end
#
# 36 TYR HA 39 CYX HB3 4.29
&rst
ixpk= 0, nxpk= 0, iat= 538, 590, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79, &end
#
# 15 PHE HE1 16 PRO HB2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 237, 254, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 18 CYX HA 28 HID HE1 5.50
&rst
ixpk= 0, nxpk= 0, iat= 280, 424, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 15 PHE HA 28 HID HE1 5.50
&rst
ixpk= 0, nxpk= 0, iat= 229, 424, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 24 CYX HB3 28 HID HE1 4.07
&rst
ixpk= 0, nxpk= 0, iat= 368, 424, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57, &end
#
# 20 LEU HB3 28 HID HE1 5.50
&rst
ixpk= 0, nxpk= 0, iat= 307, 424, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 20 LEU HB2 28 HID HE1 5.50
&rst
ixpk= 0, nxpk= 0, iat= 306, 424, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 41 LYS HB3 50 HID HE1 4.35
&rst
ixpk= 0, nxpk= 0, iat= 614, 754, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85, &end
#
# 41 LYS HB2 50 HID HE1 4.35
&rst
ixpk= 0, nxpk= 0, iat= 613, 754, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85, &end
#
# 39 CYX HA 50 HID HE1 5.50
&rst
ixpk= 0, nxpk= 0, iat= 587, 754, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 43 PRO HA 50 HID HE1 5.50
&rst
ixpk= 0, nxpk= 0, iat= 655, 754, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 25 PRO HB3 26 HIE HD2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 381, 400, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 16 PRO HG2 17 HIE HD2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 251, 274, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 26 HIE HA 26 HIE HD2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 389, 400, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 36 TYR HD1 50 HID HB3 5.47
&rst
ixpk= 0, nxpk= 0, iat= 544, 749, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97, &end
#
# 36 TYR HD1 50 HID HB2 5.47
&rst
ixpk= 0, nxpk= 0, iat= 544, 748, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97, &end
#
# 36 TYR HD1 51 PRO HD3 5.44
&rst
ixpk= 0, nxpk= 0, iat= 544, 763, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94, &end
#
# 36 TYR HE2 51 PRO HG2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 551, 765, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 12 CYX HB2 28 HID HD2 3.70
&rst
ixpk= 0, nxpk= 0, iat= 178, 427, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20, &end
#
# 27 ALA HA 28 HID HD2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 406, 427, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 15 PHE HA 15 PHE HD1 4.48
&rst
ixpk= 0, nxpk= 0, iat= 229, 235, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98, &end
#
# 15 PHE HA 15 PHE HE1 5.50
&rst
ixpk= 0, nxpk= 0, iat= 229, 237, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 48 PHE HA 48 PHE HE1 5.50
&rst
ixpk= 0, nxpk= 0, iat= 707, 715, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 29 PRO HA 48 PHE HD1 5.50
&rst
ixpk= 0, nxpk= 0, iat= 441, 713, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 33 CYX HA 48 PHE HD1 4.76
&rst
ixpk= 0, nxpk= 0, iat= 499, 713, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26, &end
#
# 33 CYX HA 48 PHE HD2 4.42
&rst
ixpk= 0, nxpk= 0, iat= 499, 721, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92, &end
#
# 33 CYX HA 48 PHE HE2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 499, 719, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 31 LYS HB2 48 PHE HE1 4.82
&rst
ixpk= 0, nxpk= 0, iat= 463, 715, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32, &end
#
# 31 LYS HB3 48 PHE HE1 4.82
&rst
ixpk= 0, nxpk= 0, iat= 464, 715, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32, &end
#
# 31 LYS HB3 48 PHE HD1 4.17
&rst
ixpk= 0, nxpk= 0, iat= 464, 713, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67, &end
#
# 65 ARG HA 68 PHE QE 7.63
&rst
ixpk= 0, nxpk= 0, iat= 991, -1, r1= 1.30, r2= 1.80, r3= 8.56, r4= 9.06,
igr2=1053,1057,
&end
#
# 32 VAL HA 48 PHE HD1 5.50
&rst
ixpk= 0, nxpk= 0, iat= 483, 713, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 41 LYS HG3 50 HID HE1 5.50
&rst
ixpk= 0, nxpk= 0, iat= 617, 754, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 41 LYS HG2 50 HID HE1 5.50
&rst
ixpk= 0, nxpk= 0, iat= 616, 754, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 36 TYR HE1 50 HID HA 4.66
&rst
ixpk= 0, nxpk= 0, iat= 546, 746, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16, &end
#
# 36 TYR HD1 50 HID HA 4.17
&rst
ixpk= 0, nxpk= 0, iat= 544, 746, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67, &end
#
# 18 CYX HB3 28 HID HE1 3.86
&rst
ixpk= 0, nxpk= 0, iat= 283, 424, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36, &end
#
# 3 PHE HA 3 PHE QD 7.63
&rst
ixpk= 0, nxpk= 0, iat= 24, -1, r1= 1.30, r2= 1.80, r3= 8.56, r4= 9.06,
igr2= 30, 38,
&end
#
# 50 HID HB2 53 GLU HB3 5.50
&rst
ixpk= 0, nxpk= 0, iat= 748, 794, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 50 HID HB3 53 GLU HB2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 749, 793, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 49 LEU HA 50 HID HD2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 727, 757, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 36 TYR HD1 50 HID HE1 5.50
&rst
ixpk= 0, nxpk= 0, iat= 544, 754, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 49 LEU HA 49 LEU HG 4.23
&rst
ixpk= 0, nxpk= 0, iat= 727, 732, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73, &end
#
# 31 LYS HA 48 PHE HD1 5.50
&rst
ixpk= 0, nxpk= 0, iat= 461, 713, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 11 ARG HA 11 ARG HD3 5.41
&rst
ixpk= 0, nxpk= 0, iat= 152, 161, r1= 1.30, r2= 1.80, r3= 5.41, r4= 5.91, &end
#
# 11 ARG HA 11 ARG HD2 5.41
&rst
ixpk= 0, nxpk= 0, iat= 152, 160, r1= 1.30, r2= 1.80, r3= 5.41, r4= 5.91, &end
#
# 41 LYS HB3 46 CYX HA 5.28
&rst
ixpk= 0, nxpk= 0, iat= 614, 682, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78, &end
#
# 41 LYS HB2 46 CYX HA 5.28
&rst
ixpk= 0, nxpk= 0, iat= 613, 682, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78, &end
#
# 32 VAL HA 49 LEU HG 4.85
&rst
ixpk= 0, nxpk= 0, iat= 483, 732, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35, &end
#
# 42 PRO HB2 43 PRO HD2 4.72
&rst
ixpk= 0, nxpk= 0, iat= 638, 646, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, &end
#
# 42 PRO HB3 43 PRO HD3 4.72
&rst
ixpk= 0, nxpk= 0, iat= 639, 647, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, &end
#
# 32 VAL HA 49 LEU HB3 3.64
&rst
ixpk= 0, nxpk= 0, iat= 483, 730, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14, &end
#
# 57 LEU HA 57 LEU HG 4.26
&rst
ixpk= 0, nxpk= 0, iat= 848, 853, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76, &end
#
# 17 HIE HE1 64 THR HB 5.50
&rst
ixpk= 0, nxpk= 0, iat= 270, 979, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 17 HIE HE1 64 THR HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= 270, 977, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 33 CYX HB3 50 HID HD2 3.14
&rst
ixpk= 0, nxpk= 0, iat= 502, 757, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64, &end
#
# 49 LEU QD1 61 MET QE 6.76
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.75, r4=10.25,
igr1= 734, 735, 736,
igr2= 930, 931, 932,
&end
#
# 15 PHE HE1 61 MET QE 4.81
&rst
ixpk= 0, nxpk= 0, iat= 237, -1, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28,
igr2= 930, 931, 932,
&end
#
# 15 PHE HE1 49 LEU QD2 6.49
&rst
ixpk= 0, nxpk= 0, iat= 237, -1, r1= 1.30, r2= 1.80, r3= 7.79, r4= 8.29,
igr2= 738, 739, 740,
&end
#
# 15 PHE HE1 30 THR QG2 5.71
&rst
ixpk= 0, nxpk= 0, iat= 237, -1, r1= 1.30, r2= 1.80, r3= 6.86, r4= 7.36,
igr2= 451, 452, 453,
&end
#
# 30 THR HA 58 MET QE 5.56
&rst
ixpk= 0, nxpk= 0, iat= 447, -1, r1= 1.30, r2= 1.80, r3= 6.68, r4= 7.18,
igr2= 876, 877, 878,
&end
#
# 30 THR HA 61 MET QE 4.44
&rst
ixpk= 0, nxpk= 0, iat= 447, -1, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83,
igr2= 930, 931, 932,
&end
#
# 30 THR HA 49 LEU QD1 4.97
&rst
ixpk= 0, nxpk= 0, iat= 447, -1, r1= 1.30, r2= 1.80, r3= 5.97, r4= 6.47,
igr2= 734, 735, 736,
&end
#
# 30 THR HA 49 LEU QD2 6.52
&rst
ixpk= 0, nxpk= 0, iat= 447, -1, r1= 1.30, r2= 1.80, r3= 7.83, r4= 8.33,
igr2= 738, 739, 740,
&end
#
# 16 PRO HA 61 MET QE 5.40
&rst
ixpk= 0, nxpk= 0, iat= 257, -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
igr2= 930, 931, 932,
&end
#
# 49 LEU QD1 58 MET QE 6.86
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.89, r4=10.39,
igr1= 734, 735, 736,
igr2= 876, 877, 878,
&end
#
# 29 PRO HG2 49 LEU QD2 5.93
&rst
ixpk= 0, nxpk= 0, iat= 435, -1, r1= 1.30, r2= 1.80, r3= 7.12, r4= 7.62,
igr2= 738, 739, 740,
&end
#
# 49 LEU QD2 58 MET HG2 5.40
&rst
ixpk= 0, nxpk= 0, iat= -1, 872, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
igr1= 738, 739, 740,
&end
#
# 49 LEU QD1 58 MET HA 6.52
&rst
ixpk= 0, nxpk= 0, iat= -1, 867, r1= 1.30, r2= 1.80, r3= 7.83, r4= 8.33,
igr1= 734, 735, 736,
&end
#
# 49 LEU HA 49 LEU QD2 4.10
&rst
ixpk= 0, nxpk= 0, iat= 727, -1, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,
igr2= 738, 739, 740,
&end
#
# 27 ALA QB 47 GLU HA 4.35
&rst
ixpk= 0, nxpk= 0, iat= -1, 692, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
igr1= 408, 409, 410,
&end
#
# 49 LEU HG 58 MET QE 5.71
&rst
ixpk= 0, nxpk= 0, iat= 732, -1, r1= 1.30, r2= 1.80, r3= 6.86, r4= 7.36,
igr2= 876, 877, 878,
&end
#
# 57 LEU HG 61 MET QE 6.21
&rst
ixpk= 0, nxpk= 0, iat= 853, -1, r1= 1.30, r2= 1.80, r3= 7.46, r4= 7.96,
igr2= 930, 931, 932,
&end
#
# 61 MET QE 64 THR QG2 7.54
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.87, r4=11.37,
igr1= 930, 931, 932,
igr2= 981, 982, 983,
&end
#
# 30 THR HA 30 THR QG2 3.82
&rst
ixpk= 0, nxpk= 0, iat= 447, -1, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09,
igr2= 451, 452, 453,
&end
#
# 30 THR QG2 61 MET QE 7.38
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.64, r4=11.14,
igr1= 451, 452, 453,
igr2= 930, 931, 932,
&end
#
# 30 THR HB 61 MET QE 5.43
&rst
ixpk= 0, nxpk= 0, iat= 449, -1, r1= 1.30, r2= 1.80, r3= 6.52, r4= 7.02,
igr2= 930, 931, 932,
&end
#
# 57 LEU HA 57 LEU QD2 4.97
&rst
ixpk= 0, nxpk= 0, iat= 848, -1, r1= 1.30, r2= 1.80, r3= 5.97, r4= 6.47,
igr2= 859, 860, 861,
&end
#
# 64 THR QG2 68 PHE QD 8.65
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=11.66, r4=12.16,
igr1= 981, 982, 983,
igr2=1051,1059,
&end
#
# 64 THR QG2 68 PHE QE 8.65
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=11.66, r4=12.16,
igr1= 981, 982, 983,
igr2=1053,1057,
&end
#
# 64 THR QG2 68 PHE HB2 6.52
&rst
ixpk= 0, nxpk= 0, iat= -1,1047, r1= 1.30, r2= 1.80, r3= 7.83, r4= 8.33,
igr1= 981, 982, 983,
&end
#
# 64 THR QG2 68 PHE HB3 6.52
&rst
ixpk= 0, nxpk= 0, iat= -1,1048, r1= 1.30, r2= 1.80, r3= 7.83, r4= 8.33,
igr1= 981, 982, 983,
&end
#
# 4 THR HA 5 PRO QD 2.97
&rst
ixpk= 0, nxpk= 0, iat= 44, -1, r1= 1.30, r2= 1.80, r3= 3.33, r4= 3.83,
igr2= 57, 58,
&end
#
# 4 THR QG2 5 PRO QD 6.17
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 48, 49, 50,
igr2= 57, 58,
&end
#
# 8 LYS H 8 LYS QB 3.12
&rst
ixpk= 0, nxpk= 0, iat= 106, -1, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,
igr2= 110, 111,
&end
#
# 8 LYS H 8 LYS QG 3.73
&rst
ixpk= 0, nxpk= 0, iat= 106, -1, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69,
igr2= 113, 114,
&end
#
# 8 LYS H 8 LYS QD 3.67
&rst
ixpk= 0, nxpk= 0, iat= 106, -1, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62,
igr2= 116, 117,
&end
#
# 8 LYS QB 9 GLU H 3.29
&rst
ixpk= 0, nxpk= 0, iat= -1, 128, r1= 1.30, r2= 1.80, r3= 3.69, r4= 4.19,
igr1= 110, 111,
&end
#
# 8 LYS QB 26 HIE HE1 4.03
&rst
ixpk= 0, nxpk= 0, iat= -1, 396, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02,
igr1= 110, 111,
&end
#
# 8 LYS QG 9 GLU H 3.40
&rst
ixpk= 0, nxpk= 0, iat= -1, 128, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32,
igr1= 113, 114,
&end
#
# 8 LYS QD 9 GLU H 3.59
&rst
ixpk= 0, nxpk= 0, iat= -1, 128, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53,
igr1= 116, 117,
&end
#
# 8 LYS QD 26 HIE HE1 4.21
&rst
ixpk= 0, nxpk= 0, iat= -1, 396, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,
igr1= 116, 117,
&end
#
# 8 LYS QE 9 GLU H 5.34
&rst
ixpk= 0, nxpk= 0, iat= -1, 128, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr1= 119, 120,
&end
#
# 9 GLU H 9 GLU QB 2.47
&rst
ixpk= 0, nxpk= 0, iat= 128, -1, r1= 1.30, r2= 1.80, r3= 2.77, r4= 3.27,
igr2= 132, 133,
&end
#
# 9 GLU H 9 GLU QG 3.91
&rst
ixpk= 0, nxpk= 0, iat= 128, -1, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89,
igr2= 135, 136,
&end
#
# 9 GLU QB 10 GLY H 3.47
&rst
ixpk= 0, nxpk= 0, iat= -1, 143, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39,
igr1= 132, 133,
&end
#
# 9 GLU QB 45 THR HG1 5.08
&rst
ixpk= 0, nxpk= 0, iat= -1, 676, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,
igr1= 132, 133,
&end
#
# 9 GLU QG 10 GLY H 5.34
&rst
ixpk= 0, nxpk= 0, iat= -1, 143, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr1= 135, 136,
&end
#
# 9 GLU QG 45 THR HG1 5.34
&rst
ixpk= 0, nxpk= 0, iat= -1, 676, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr1= 135, 136,
&end
#
# 10 GLY H 10 GLY QA 2.56
&rst
ixpk= 0, nxpk= 0, iat= 143, -1, r1= 1.30, r2= 1.80, r3= 2.87, r4= 3.37,
igr2= 145, 146,
&end
#
# 11 ARG HA 11 ARG QD 4.63
&rst
ixpk= 0, nxpk= 0, iat= 152, -1, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,
igr2= 160, 161,
&end
#
# 11 ARG QB 11 ARG QD 3.18
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51,
igr1= 154, 155,
igr2= 160, 161,
&end
#
# 11 ARG QB 11 ARG HE 3.73
&rst
ixpk= 0, nxpk= 0, iat= -1, 163, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69,
igr1= 154, 155,
&end
#
# 11 ARG QB 12 CYX H 3.67
&rst
ixpk= 0, nxpk= 0, iat= -1, 174, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62,
igr1= 154, 155,
&end
#
# 11 ARG QB 47 GLU HA 5.34
&rst
ixpk= 0, nxpk= 0, iat= -1, 692, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr1= 154, 155,
&end
#
# 11 ARG QG 12 CYX H 4.16
&rst
ixpk= 0, nxpk= 0, iat= -1, 174, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,
igr1= 157, 158,
&end
#
# 11 ARG QG 12 CYX HA 5.34
&rst
ixpk= 0, nxpk= 0, iat= -1, 176, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr1= 157, 158,
&end
#
# 11 ARG QG 29 PRO QD 5.18
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.53, r4= 7.03,
igr1= 157, 158,
igr2= 432, 433,
&end
#
# 11 ARG QD 12 CYX HA 5.34
&rst
ixpk= 0, nxpk= 0, iat= -1, 176, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr1= 160, 161,
&end
#
# 11 ARG QD 45 THR H 5.34
&rst
ixpk= 0, nxpk= 0, iat= -1, 666, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr1= 160, 161,
&end
#
# 11 ARG QD 45 THR HA 5.34
&rst
ixpk= 0, nxpk= 0, iat= -1, 668, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr1= 160, 161,
&end
#
# 11 ARG QD 57 LEU QQD 5.94
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.99, r4= 9.49,
igr1= 160, 161,
igr2= 855, 856, 857, 859, 860, 861,
&end
#
# 11 ARG HE 29 PRO QB 4.21
&rst
ixpk= 0, nxpk= 0, iat= 163, -1, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,
igr2= 438, 439,
&end
#
# 11 ARG HE 29 PRO QD 5.35
&rst
ixpk= 0, nxpk= 0, iat= 163, -1, r1= 1.30, r2= 1.80, r3= 6.01, r4= 6.51,
igr2= 432, 433,
&end
#
# 11 ARG HE 46 CYX QB 5.34
&rst
ixpk= 0, nxpk= 0, iat= 163, -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr2= 684, 685,
&end
#
# 11 ARG HE 57 LEU QQD 6.42
&rst
ixpk= 0, nxpk= 0, iat= 163, -1, r1= 1.30, r2= 1.80, r3= 8.65, r4= 9.15,
igr2= 855, 856, 857, 859, 860, 861,
&end
#
# 12 CYX H 26 HIE QB 4.06
&rst
ixpk= 0, nxpk= 0, iat= 174, -1, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06,
igr2= 391, 392,
&end
#
# 12 CYX HA 26 HIE QB 3.60
&rst
ixpk= 0, nxpk= 0, iat= 176, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr2= 391, 392,
&end
#
# 12 CYX QB 14 LEU H 4.53
&rst
ixpk= 0, nxpk= 0, iat= -1, 208, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,
igr1= 178, 179,
&end
#
# 12 CYX QB 15 PHE QB 4.12
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,
igr1= 178, 179,
igr2= 231, 232,
&end
#
# 12 CYX QB 28 HID HD2 2.98
&rst
ixpk= 0, nxpk= 0, iat= -1, 427, r1= 1.30, r2= 1.80, r3= 3.34, r4= 3.84,
igr1= 178, 179,
&end
#
# 13 ARG H 13 ARG QB 3.00
&rst
ixpk= 0, nxpk= 0, iat= 184, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2= 188, 189,
&end
#
# 13 ARG H 13 ARG QG 3.47
&rst
ixpk= 0, nxpk= 0, iat= 184, -1, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39,
igr2= 191, 192,
&end
#
# 13 ARG H 14 LEU QQD 6.42
&rst
ixpk= 0, nxpk= 0, iat= 184, -1, r1= 1.30, r2= 1.80, r3= 8.65, r4= 9.15,
igr2= 217, 218, 219, 221, 222, 223,
&end
#
# 13 ARG H 15 PHE QB 4.19
&rst
ixpk= 0, nxpk= 0, iat= 184, -1, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,
igr2= 231, 232,
&end
#
# 13 ARG HA 13 ARG QD 3.70
&rst
ixpk= 0, nxpk= 0, iat= 186, -1, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65,
igr2= 194, 195,
&end
#
# 13 ARG QB 13 ARG QG 2.23
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 2.81, r4= 3.31,
igr1= 188, 189,
igr2= 191, 192,
&end
#
# 13 ARG QB 13 ARG QD 3.08
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38,
igr1= 188, 189,
igr2= 194, 195,
&end
#
# 13 ARG QG 13 ARG QD 2.34
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 2.95, r4= 3.45,
igr1= 191, 192,
igr2= 194, 195,
&end
#
# 14 LEU H 14 LEU QB 2.62
&rst
ixpk= 0, nxpk= 0, iat= 208, -1, r1= 1.30, r2= 1.80, r3= 2.94, r4= 3.44,
igr2= 212, 213,
&end
#
# 14 LEU H 14 LEU QQD 4.99
&rst
ixpk= 0, nxpk= 0, iat= 208, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 217, 218, 219, 221, 222, 223,
&end
#
# 14 LEU H 18 CYX QB 4.15
&rst
ixpk= 0, nxpk= 0, iat= 208, -1, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,
igr2= 282, 283,
&end
#
# 14 LEU HA 14 LEU QQD 3.97
&rst
ixpk= 0, nxpk= 0, iat= 210, -1, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85,
igr2= 217, 218, 219, 221, 222, 223,
&end
#
# 14 LEU QB 18 CYX H 4.35
&rst
ixpk= 0, nxpk= 0, iat= -1, 278, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,
igr1= 212, 213,
&end
#
# 14 LEU QB 18 CYX HA 2.94
&rst
ixpk= 0, nxpk= 0, iat= -1, 280, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,
igr1= 212, 213,
&end
#
# 14 LEU QB 18 CYX QB 3.56
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1= 212, 213,
igr2= 282, 283,
&end
#
# 14 LEU QQD 17 HIE QB 5.86
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.87, r4= 9.37,
igr1= 217, 218, 219, 221, 222, 223,
igr2= 265, 266,
&end
#
# 14 LEU QQD 18 CYX HA 6.42
&rst
ixpk= 0, nxpk= 0, iat= -1, 280, r1= 1.30, r2= 1.80, r3= 8.65, r4= 9.15,
igr1= 217, 218, 219, 221, 222, 223,
&end
#
# 14 LEU QQD 18 CYX QB 5.46
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.26, r4= 8.76,
igr1= 217, 218, 219, 221, 222, 223,
igr2= 282, 283,
&end
#
# 14 LEU QQD 19 PRO QG 4.88
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.38, r4= 7.88,
igr1= 217, 218, 219, 221, 222, 223,
igr2= 292, 293,
&end
#
# 14 LEU QQD 19 PRO QD 4.67
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.07, r4= 7.57,
igr1= 217, 218, 219, 221, 222, 223,
igr2= 289, 290,
&end
#
# 15 PHE HA 16 PRO QB 4.75
&rst
ixpk= 0, nxpk= 0, iat= 229, -1, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83,
igr2= 254, 255,
&end
#
# 15 PHE HA 18 CYX QB 3.73
&rst
ixpk= 0, nxpk= 0, iat= 229, -1, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69,
igr2= 282, 283,
&end
#
# 15 PHE QB 15 PHE HD1 3.18
&rst
ixpk= 0, nxpk= 0, iat= -1, 235, r1= 1.30, r2= 1.80, r3= 3.57, r4= 4.07,
igr1= 231, 232,
&end
#
# 15 PHE QB 15 PHE HD2 3.01
&rst
ixpk= 0, nxpk= 0, iat= -1, 243, r1= 1.30, r2= 1.80, r3= 3.38, r4= 3.88,
igr1= 231, 232,
&end
#
# 15 PHE QB 17 HIE H 4.37
&rst
ixpk= 0, nxpk= 0, iat= -1, 261, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,
igr1= 231, 232,
&end
#
# 15 PHE HD1 29 PRO QB 5.34
&rst
ixpk= 0, nxpk= 0, iat= 235, -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr2= 438, 439,
&end
#
# 15 PHE HD1 29 PRO QG 5.35
&rst
ixpk= 0, nxpk= 0, iat= 235, -1, r1= 1.30, r2= 1.80, r3= 6.01, r4= 6.51,
igr2= 435, 436,
&end
#
# 15 PHE HD1 57 LEU QQD 4.97
&rst
ixpk= 0, nxpk= 0, iat= 235, -1, r1= 1.30, r2= 1.80, r3= 6.70, r4= 7.20,
igr2= 855, 856, 857, 859, 860, 861,
&end
#
# 15 PHE HE1 28 HID QB 4.65
&rst
ixpk= 0, nxpk= 0, iat= 237, -1, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
igr2= 418, 419,
&end
#
# 15 PHE HE1 29 PRO QG 5.35
&rst
ixpk= 0, nxpk= 0, iat= 237, -1, r1= 1.30, r2= 1.80, r3= 6.01, r4= 6.51,
igr2= 435, 436,
&end
#
# 15 PHE HE1 29 PRO QD 4.76
&rst
ixpk= 0, nxpk= 0, iat= 237, -1, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
igr2= 432, 433,
&end
#
# 15 PHE HE1 61 MET QG 5.34
&rst
ixpk= 0, nxpk= 0, iat= 237, -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr2= 926, 927,
&end
#
# 15 PHE HZ 16 PRO QB 5.34
&rst
ixpk= 0, nxpk= 0, iat= 239, -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr2= 254, 255,
&end
#
# 15 PHE HZ 28 HID QB 5.11
&rst
ixpk= 0, nxpk= 0, iat= 239, -1, r1= 1.30, r2= 1.80, r3= 5.74, r4= 6.24,
igr2= 418, 419,
&end
#
# 15 PHE HZ 29 PRO QD 5.35
&rst
ixpk= 0, nxpk= 0, iat= 239, -1, r1= 1.30, r2= 1.80, r3= 6.01, r4= 6.51,
igr2= 432, 433,
&end
#
# 15 PHE HE2 16 PRO QB 5.34
&rst
ixpk= 0, nxpk= 0, iat= 241, -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr2= 254, 255,
&end
#
# 15 PHE HE2 18 CYX QB 5.34
&rst
ixpk= 0, nxpk= 0, iat= 241, -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr2= 282, 283,
&end
#
# 15 PHE HD2 18 CYX QB 4.08
&rst
ixpk= 0, nxpk= 0, iat= 243, -1, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
igr2= 282, 283,
&end
#
# 15 PHE HD2 28 HID QB 4.44
&rst
ixpk= 0, nxpk= 0, iat= 243, -1, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48,
igr2= 418, 419,
&end
#
# 16 PRO QB 17 HIE H 3.67
&rst
ixpk= 0, nxpk= 0, iat= -1, 261, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62,
igr1= 254, 255,
&end
#
# 16 PRO QB 17 HIE HD2 5.34
&rst
ixpk= 0, nxpk= 0, iat= -1, 274, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr1= 254, 255,
&end
#
# 16 PRO QB 61 MET HA 5.34
&rst
ixpk= 0, nxpk= 0, iat= -1, 921, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr1= 254, 255,
&end
#
# 16 PRO QB 61 MET QG 4.76
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1= 254, 255,
igr2= 926, 927,
&end
#
# 16 PRO QB 61 MET QE 6.29
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.48, r4= 8.98,
igr1= 254, 255,
igr2= 930, 931, 932,
&end
#
# 16 PRO QG 17 HIE HE1 5.35
&rst
ixpk= 0, nxpk= 0, iat= -1, 270, r1= 1.30, r2= 1.80, r3= 6.01, r4= 6.51,
igr1= 251, 252,
&end
#
# 16 PRO QG 61 MET H 5.35
&rst
ixpk= 0, nxpk= 0, iat= -1, 919, r1= 1.30, r2= 1.80, r3= 6.01, r4= 6.51,
igr1= 251, 252,
&end
#
# 16 PRO QG 61 MET HA 5.35
&rst
ixpk= 0, nxpk= 0, iat= -1, 921, r1= 1.30, r2= 1.80, r3= 6.01, r4= 6.51,
igr1= 251, 252,
&end
#
# 16 PRO QG 61 MET QG 5.18
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.53, r4= 7.03,
igr1= 251, 252,
igr2= 926, 927,
&end
#
# 16 PRO QD 17 HIE H 4.56
&rst
ixpk= 0, nxpk= 0, iat= -1, 261, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
igr1= 248, 249,
&end
#
# 16 PRO QD 17 HIE HD2 4.18
&rst
ixpk= 0, nxpk= 0, iat= -1, 274, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19,
igr1= 248, 249,
&end
#
# 16 PRO QD 57 LEU QQD 4.49
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.79, r4= 7.29,
igr1= 248, 249,
igr2= 855, 856, 857, 859, 860, 861,
&end
#
# 16 PRO QD 61 MET QE 6.29
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.48, r4= 8.98,
igr1= 248, 249,
igr2= 930, 931, 932,
&end
#
# 17 HIE H 17 HIE QB 3.19
&rst
ixpk= 0, nxpk= 0, iat= 261, -1, r1= 1.30, r2= 1.80, r3= 3.58, r4= 4.08,
igr2= 265, 266,
&end
#
# 17 HIE H 18 CYX QB 4.39
&rst
ixpk= 0, nxpk= 0, iat= 261, -1, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43,
igr2= 282, 283,
&end
#
# 17 HIE HD2 57 LEU QQD 6.42
&rst
ixpk= 0, nxpk= 0, iat= 274, -1, r1= 1.30, r2= 1.80, r3= 8.65, r4= 9.15,
igr2= 855, 856, 857, 859, 860, 861,
&end
#
# 17 HIE HD2 60 GLU QB 5.34
&rst
ixpk= 0, nxpk= 0, iat= 274, -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr2= 908, 909,
&end
#
# 17 HIE HD2 60 GLU QG 4.84
&rst
ixpk= 0, nxpk= 0, iat= 274, -1, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,
igr2= 911, 912,
&end
#
# 17 HIE HE1 60 GLU QG 5.34
&rst
ixpk= 0, nxpk= 0, iat= 270, -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr2= 911, 912,
&end
#
# 18 CYX H 18 CYX QB 3.01
&rst
ixpk= 0, nxpk= 0, iat= 278, -1, r1= 1.30, r2= 1.80, r3= 3.38, r4= 3.88,
igr2= 282, 283,
&end
#
# 18 CYX QB 19 PRO QD 4.69
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.91, r4= 6.41,
igr1= 282, 283,
igr2= 289, 290,
&end
#
# 18 CYX QB 20 LEU H 4.18
&rst
ixpk= 0, nxpk= 0, iat= -1, 302, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19,
igr1= 282, 283,
&end
#
# 18 CYX QB 21 GLY H 4.12
&rst
ixpk= 0, nxpk= 0, iat= -1, 321, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
igr1= 282, 283,
&end
#
# 18 CYX QB 28 HID HE1 3.16
&rst
ixpk= 0, nxpk= 0, iat= -1, 424, r1= 1.30, r2= 1.80, r3= 3.55, r4= 4.05,
igr1= 282, 283,
&end
#
# 19 PRO QB 20 LEU QQD 5.72
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.65, r4= 9.15,
igr1= 295, 296,
igr2= 311, 312, 313, 315, 316, 317,
&end
#
# 19 PRO QD 20 LEU H 3.97
&rst
ixpk= 0, nxpk= 0, iat= -1, 302, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96,
igr1= 289, 290,
&end
#
# 20 LEU H 20 LEU QB 2.76
&rst
ixpk= 0, nxpk= 0, iat= 302, -1, r1= 1.30, r2= 1.80, r3= 3.10, r4= 3.60,
igr2= 306, 307,
&end
#
# 20 LEU H 20 LEU QQD 4.78
&rst
ixpk= 0, nxpk= 0, iat= 302, -1, r1= 1.30, r2= 1.80, r3= 6.44, r4= 6.94,
igr2= 311, 312, 313, 315, 316, 317,
&end
#
# 20 LEU H 24 CYX QB 3.85
&rst
ixpk= 0, nxpk= 0, iat= 302, -1, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82,
igr2= 367, 368,
&end
#
# 20 LEU HA 20 LEU QQD 3.86
&rst
ixpk= 0, nxpk= 0, iat= 304, -1, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,
igr2= 311, 312, 313, 315, 316, 317,
&end
#
# 20 LEU QB 21 GLY H 4.23
&rst
ixpk= 0, nxpk= 0, iat= -1, 321, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25,
igr1= 306, 307,
&end
#
# 20 LEU QB 23 SER H 4.68
&rst
ixpk= 0, nxpk= 0, iat= -1, 352, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75,
igr1= 306, 307,
&end
#
# 20 LEU QB 23 SER QB 4.76
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1= 306, 307,
igr2= 356, 357,
&end
#
# 20 LEU QB 24 CYX QB 3.48
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,
igr1= 306, 307,
igr2= 367, 368,
&end
#
# 20 LEU QQD 21 GLY H 5.61
&rst
ixpk= 0, nxpk= 0, iat= -1, 321, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 311, 312, 313, 315, 316, 317,
&end
#
# 20 LEU QQD 23 SER H 6.42
&rst
ixpk= 0, nxpk= 0, iat= -1, 352, r1= 1.30, r2= 1.80, r3= 8.65, r4= 9.15,
igr1= 311, 312, 313, 315, 316, 317,
&end
#
# 20 LEU QQD 23 SER QB 5.36
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.11, r4= 8.61,
igr1= 311, 312, 313, 315, 316, 317,
igr2= 356, 357,
&end
#
# 20 LEU QQD 24 CYX QB 5.46
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.26, r4= 8.76,
igr1= 311, 312, 313, 315, 316, 317,
igr2= 367, 368,
&end
#
# 20 LEU QQD 25 PRO QD 4.21
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.37, r4= 6.87,
igr1= 311, 312, 313, 315, 316, 317,
igr2= 374, 375,
&end
#
# 20 LEU QQD 26 HIE HD2 6.42
&rst
ixpk= 0, nxpk= 0, iat= -1, 400, r1= 1.30, r2= 1.80, r3= 8.65, r4= 9.15,
igr1= 311, 312, 313, 315, 316, 317,
&end
#
# 20 LEU QQD 28 HID HE1 6.42
&rst
ixpk= 0, nxpk= 0, iat= -1, 424, r1= 1.30, r2= 1.80, r3= 8.65, r4= 9.15,
igr1= 311, 312, 313, 315, 316, 317,
&end
#
# 21 GLY H 21 GLY QA 2.57
&rst
ixpk= 0, nxpk= 0, iat= 321, -1, r1= 1.30, r2= 1.80, r3= 2.88, r4= 3.38,
igr2= 323, 324,
&end
#
# 21 GLY H 24 CYX QB 4.09
&rst
ixpk= 0, nxpk= 0, iat= 321, -1, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09,
igr2= 367, 368,
&end
#
# 21 GLY QA 24 CYX H 4.26
&rst
ixpk= 0, nxpk= 0, iat= -1, 363, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28,
igr1= 323, 324,
&end
#
# 21 GLY QA 28 HID HE1 3.70
&rst
ixpk= 0, nxpk= 0, iat= -1, 424, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65,
igr1= 323, 324,
&end
#
# 23 SER QB 24 CYX H 4.29
&rst
ixpk= 0, nxpk= 0, iat= -1, 363, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32,
igr1= 356, 357,
&end
#
# 24 CYX H 25 PRO QD 5.35
&rst
ixpk= 0, nxpk= 0, iat= 363, -1, r1= 1.30, r2= 1.80, r3= 6.01, r4= 6.51,
igr2= 374, 375,
&end
#
# 24 CYX HA 25 PRO QD 3.10
&rst
ixpk= 0, nxpk= 0, iat= 365, -1, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98,
igr2= 374, 375,
&end
#
# 24 CYX QB 26 HIE H 3.61
&rst
ixpk= 0, nxpk= 0, iat= -1, 387, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55,
igr1= 367, 368,
&end
#
# 24 CYX QB 28 HID HD2 5.34
&rst
ixpk= 0, nxpk= 0, iat= -1, 427, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr1= 367, 368,
&end
#
# 24 CYX QB 28 HID HE1 3.43
&rst
ixpk= 0, nxpk= 0, iat= -1, 424, r1= 1.30, r2= 1.80, r3= 3.85, r4= 4.35,
igr1= 367, 368,
&end
#
# 25 PRO QB 26 HIE H 3.71
&rst
ixpk= 0, nxpk= 0, iat= -1, 387, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66,
igr1= 380, 381,
&end
#
# 25 PRO QG 26 HIE H 4.42
&rst
ixpk= 0, nxpk= 0, iat= -1, 387, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,
igr1= 377, 378,
&end
#
# 25 PRO QG 26 HIE HD2 4.40
&rst
ixpk= 0, nxpk= 0, iat= -1, 400, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
igr1= 377, 378,
&end
#
# 25 PRO QD 26 HIE H 3.80
&rst
ixpk= 0, nxpk= 0, iat= -1, 387, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,
igr1= 374, 375,
&end
#
# 25 PRO QD 26 HIE HD2 4.62
&rst
ixpk= 0, nxpk= 0, iat= -1, 400, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,
igr1= 374, 375,
&end
#
# 26 HIE H 26 HIE QB 3.00
&rst
ixpk= 0, nxpk= 0, iat= 387, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2= 391, 392,
&end
#
# 27 ALA HA 28 HID QB 4.97
&rst
ixpk= 0, nxpk= 0, iat= 406, -1, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08,
igr2= 418, 419,
&end
#
# 28 HID H 28 HID QB 3.15
&rst
ixpk= 0, nxpk= 0, iat= 414, -1, r1= 1.30, r2= 1.80, r3= 3.54, r4= 4.04,
igr2= 418, 419,
&end
#
# 28 HID HA 29 PRO QD 3.33
&rst
ixpk= 0, nxpk= 0, iat= 416, -1, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24,
igr2= 432, 433,
&end
#
# 28 HID QB 30 THR QG2 5.86
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.90, r4= 8.40,
igr1= 418, 419,
igr2= 451, 452, 453,
&end
#
# 29 PRO QB 48 PHE HA 4.18
&rst
ixpk= 0, nxpk= 0, iat= -1, 707, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19,
igr1= 438, 439,
&end
#
# 29 PRO QB 48 PHE HD1 5.34
&rst
ixpk= 0, nxpk= 0, iat= -1, 713, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr1= 438, 439,
&end
#
# 29 PRO QB 49 LEU H 4.82
&rst
ixpk= 0, nxpk= 0, iat= -1, 725, r1= 1.30, r2= 1.80, r3= 5.41, r4= 5.91,
igr1= 438, 439,
&end
#
# 29 PRO QB 49 LEU QD1 5.48
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.39, r4= 7.89,
igr1= 438, 439,
igr2= 734, 735, 736,
&end
#
# 29 PRO QB 49 LEU QD2 4.29
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28,
igr1= 438, 439,
igr2= 738, 739, 740,
&end
#
# 29 PRO QG 49 LEU QD2 5.21
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.02, r4= 7.52,
igr1= 435, 436,
igr2= 738, 739, 740,
&end
#
# 31 LYS H 31 LYS QG 5.34
&rst
ixpk= 0, nxpk= 0, iat= 459, -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr2= 466, 467,
&end
#
# 31 LYS H 32 VAL QQG 6.42
&rst
ixpk= 0, nxpk= 0, iat= 459, -1, r1= 1.30, r2= 1.80, r3= 8.65, r4= 9.15,
igr2= 487, 488, 489, 491, 492, 493,
&end
#
# 31 LYS H 48 PHE QB 5.34
&rst
ixpk= 0, nxpk= 0, iat= 459, -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr2= 709, 710,
&end
#
# 31 LYS HA 31 LYS QD 5.11
&rst
ixpk= 0, nxpk= 0, iat= 461, -1, r1= 1.30, r2= 1.80, r3= 5.74, r4= 6.24,
igr2= 469, 470,
&end
#
# 31 LYS HA 32 VAL QQG 6.27
&rst
ixpk= 0, nxpk= 0, iat= 461, -1, r1= 1.30, r2= 1.80, r3= 8.45, r4= 8.95,
igr2= 487, 488, 489, 491, 492, 493,
&end
#
# 31 LYS QB 32 VAL H 3.35
&rst
ixpk= 0, nxpk= 0, iat= -1, 481, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26,
igr1= 463, 464,
&end
#
# 31 LYS QB 48 PHE HD1 3.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 713, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 463, 464,
&end
#
# 31 LYS QB 48 PHE HE1 4.12
&rst
ixpk= 0, nxpk= 0, iat= -1, 715, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
igr1= 463, 464,
&end
#
# 31 LYS QG 48 PHE HD1 4.31
&rst
ixpk= 0, nxpk= 0, iat= -1, 713, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,
igr1= 466, 467,
&end
#
# 31 LYS QG 48 PHE HE1 4.84
&rst
ixpk= 0, nxpk= 0, iat= -1, 715, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,
igr1= 466, 467,
&end
#
# 31 LYS QD 48 PHE HE1 3.94
&rst
ixpk= 0, nxpk= 0, iat= -1, 715, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92,
igr1= 469, 470,
&end
#
# 31 LYS QD 48 PHE HZ 4.56
&rst
ixpk= 0, nxpk= 0, iat= -1, 717, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
igr1= 469, 470,
&end
#
# 31 LYS QE 48 PHE HD1 5.34
&rst
ixpk= 0, nxpk= 0, iat= -1, 713, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr1= 472, 473,
&end
#
# 31 LYS QE 48 PHE HE1 5.11
&rst
ixpk= 0, nxpk= 0, iat= -1, 715, r1= 1.30, r2= 1.80, r3= 5.74, r4= 6.24,
igr1= 472, 473,
&end
#
# 32 VAL H 32 VAL QQG 4.05
&rst
ixpk= 0, nxpk= 0, iat= 481, -1, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96,
igr2= 487, 488, 489, 491, 492, 493,
&end
#
# 32 VAL HA 33 CYX QB 5.32
&rst
ixpk= 0, nxpk= 0, iat= 483, -1, r1= 1.30, r2= 1.80, r3= 5.97, r4= 6.47,
igr2= 501, 502,
&end
#
# 32 VAL HA 49 LEU QB 3.15
&rst
ixpk= 0, nxpk= 0, iat= 483, -1, r1= 1.30, r2= 1.80, r3= 3.54, r4= 4.04,
igr2= 729, 730,
&end
#
# 32 VAL QQG 33 CYX H 4.62
&rst
ixpk= 0, nxpk= 0, iat= -1, 497, r1= 1.30, r2= 1.80, r3= 6.23, r4= 6.73,
igr1= 487, 488, 489, 491, 492, 493,
&end
#
# 32 VAL QQG 33 CYX HA 6.42
&rst
ixpk= 0, nxpk= 0, iat= -1, 499, r1= 1.30, r2= 1.80, r3= 8.65, r4= 9.15,
igr1= 487, 488, 489, 491, 492, 493,
&end
#
# 32 VAL QQG 36 TYR H 6.42
&rst
ixpk= 0, nxpk= 0, iat= -1, 536, r1= 1.30, r2= 1.80, r3= 8.65, r4= 9.15,
igr1= 487, 488, 489, 491, 492, 493,
&end
#
# 32 VAL QQG 36 TYR QB 5.33
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.06, r4= 8.56,
igr1= 487, 488, 489, 491, 492, 493,
igr2= 540, 541,
&end
#
# 32 VAL QQG 36 TYR HE2 5.34
&rst
ixpk= 0, nxpk= 0, iat= -1, 551, r1= 1.30, r2= 1.80, r3= 7.20, r4= 7.70,
igr1= 487, 488, 489, 491, 492, 493,
&end
#
# 32 VAL QQG 36 TYR HD2 5.28
&rst
ixpk= 0, nxpk= 0, iat= -1, 553, r1= 1.30, r2= 1.80, r3= 7.12, r4= 7.62,
igr1= 487, 488, 489, 491, 492, 493,
&end
#
# 32 VAL QQG 48 PHE HD1 6.42
&rst
ixpk= 0, nxpk= 0, iat= -1, 713, r1= 1.30, r2= 1.80, r3= 8.65, r4= 9.15,
igr1= 487, 488, 489, 491, 492, 493,
&end
#
# 32 VAL QQG 49 LEU QB 5.05
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
igr1= 487, 488, 489, 491, 492, 493,
igr2= 729, 730,
&end
#
# 32 VAL QQG 50 HID HA 5.80
&rst
ixpk= 0, nxpk= 0, iat= -1, 746, r1= 1.30, r2= 1.80, r3= 7.82, r4= 8.32,
igr1= 487, 488, 489, 491, 492, 493,
&end
#
# 32 VAL QQG 50 HID HD2 6.12
&rst
ixpk= 0, nxpk= 0, iat= -1, 757, r1= 1.30, r2= 1.80, r3= 8.25, r4= 8.75,
igr1= 487, 488, 489, 491, 492, 493,
&end
#
# 32 VAL QQG 51 PRO QD 4.86
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.35, r4= 7.85,
igr1= 487, 488, 489, 491, 492, 493,
igr2= 762, 763,
&end
#
# 32 VAL QQG 58 MET QE 5.88
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.52, r4=10.02,
igr1= 487, 488, 489, 491, 492, 493,
igr2= 876, 877, 878,
&end
#
# 33 CYX H 33 CYX QB 2.98
&rst
ixpk= 0, nxpk= 0, iat= 497, -1, r1= 1.30, r2= 1.80, r3= 3.34, r4= 3.84,
igr2= 501, 502,
&end
#
# 33 CYX H 36 TYR QB 4.73
&rst
ixpk= 0, nxpk= 0, iat= 497, -1, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,
igr2= 540, 541,
&end
#
# 33 CYX H 48 PHE QB 4.38
&rst
ixpk= 0, nxpk= 0, iat= 497, -1, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,
igr2= 709, 710,
&end
#
# 33 CYX H 49 LEU QB 4.68
&rst
ixpk= 0, nxpk= 0, iat= 497, -1, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75,
igr2= 729, 730,
&end
#
# 33 CYX HA 34 ASN QB 4.03
&rst
ixpk= 0, nxpk= 0, iat= 499, -1, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02,
igr2= 511, 512,
&end
#
# 33 CYX HA 36 TYR QB 5.32
&rst
ixpk= 0, nxpk= 0, iat= 499, -1, r1= 1.30, r2= 1.80, r3= 5.97, r4= 6.47,
igr2= 540, 541,
&end
#
# 33 CYX HA 48 PHE QB 3.70
&rst
ixpk= 0, nxpk= 0, iat= 499, -1, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65,
igr2= 709, 710,
&end
#
# 33 CYX QB 34 ASN H 4.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 507, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1= 501, 502,
&end
#
# 33 CYX QB 35 GLU H 4.26
&rst
ixpk= 0, nxpk= 0, iat= -1, 521, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28,
igr1= 501, 502,
&end
#
# 33 CYX QB 36 TYR H 3.47
&rst
ixpk= 0, nxpk= 0, iat= -1, 536, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39,
igr1= 501, 502,
&end
#
# 33 CYX QB 48 PHE H 5.34
&rst
ixpk= 0, nxpk= 0, iat= -1, 705, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr1= 501, 502,
&end
#
# 33 CYX QB 48 PHE HA 5.34
&rst
ixpk= 0, nxpk= 0, iat= -1, 707, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr1= 501, 502,
&end
#
# 33 CYX QB 48 PHE QB 3.76
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,
igr1= 501, 502,
igr2= 709, 710,
&end
#
# 33 CYX QB 48 PHE HD1 5.34
&rst
ixpk= 0, nxpk= 0, iat= -1, 713, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr1= 501, 502,
&end
#
# 33 CYX QB 48 PHE HE2 5.34
&rst
ixpk= 0, nxpk= 0, iat= -1, 719, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr1= 501, 502,
&end
#
# 33 CYX QB 48 PHE HD2 4.76
&rst
ixpk= 0, nxpk= 0, iat= -1, 721, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
igr1= 501, 502,
&end
#
# 33 CYX QB 49 LEU H 5.34
&rst
ixpk= 0, nxpk= 0, iat= -1, 725, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr1= 501, 502,
&end
#
# 34 ASN H 34 ASN QB 2.93
&rst
ixpk= 0, nxpk= 0, iat= 507, -1, r1= 1.30, r2= 1.80, r3= 3.29, r4= 3.79,
igr2= 511, 512,
&end
#
# 34 ASN H 34 ASN QD2 5.34
&rst
ixpk= 0, nxpk= 0, iat= 507, -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr2= 516, 517,
&end
#
# 34 ASN QB 35 GLU H 3.38
&rst
ixpk= 0, nxpk= 0, iat= -1, 521, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29,
igr1= 511, 512,
&end
#
# 34 ASN QB 48 PHE HD2 5.34
&rst
ixpk= 0, nxpk= 0, iat= -1, 721, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr1= 511, 512,
&end
#
# 34 ASN QD2 35 GLU H 5.34
&rst
ixpk= 0, nxpk= 0, iat= -1, 521, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr1= 516, 517,
&end
#
# 34 ASN QD2 35 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= 516, 517,
igr2= 528, 529,
&end
#
# 35 GLU H 35 GLU QB 2.74
&rst
ixpk= 0, nxpk= 0, iat= 521, -1, r1= 1.30, r2= 1.80, r3= 3.08, r4= 3.58,
igr2= 525, 526,
&end
#
# 35 GLU H 35 GLU QG 3.61
&rst
ixpk= 0, nxpk= 0, iat= 521, -1, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55,
igr2= 528, 529,
&end
#
# 35 GLU HA 35 GLU QG 3.22
&rst
ixpk= 0, nxpk= 0, iat= 523, -1, r1= 1.30, r2= 1.80, r3= 3.61, r4= 4.11,
igr2= 528, 529,
&end
#
# 35 GLU QB 39 CYX HA 3.70
&rst
ixpk= 0, nxpk= 0, iat= -1, 587, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65,
igr1= 525, 526,
&end
#
# 35 GLU QB 39 CYX HB2 4.51
&rst
ixpk= 0, nxpk= 0, iat= -1, 589, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,
igr1= 525, 526,
&end
#
# 35 GLU QB 39 CYX HB3 5.34
&rst
ixpk= 0, nxpk= 0, iat= -1, 590, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr1= 525, 526,
&end
#
# 35 GLU QG 36 TYR H 5.34
&rst
ixpk= 0, nxpk= 0, iat= -1, 536, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr1= 528, 529,
&end
#
# 35 GLU QG 39 CYX HA 5.34
&rst
ixpk= 0, nxpk= 0, iat= -1, 587, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr1= 528, 529,
&end
#
# 36 TYR QB 36 TYR HE1 4.62
&rst
ixpk= 0, nxpk= 0, iat= -1, 546, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,
igr1= 540, 541,
&end
#
# 36 TYR QB 36 TYR HE2 4.63
&rst
ixpk= 0, nxpk= 0, iat= -1, 551, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,
igr1= 540, 541,
&end
#
# 36 TYR QB 37 PRO HA 3.72
&rst
ixpk= 0, nxpk= 0, iat= -1, 567, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68,
igr1= 540, 541,
&end
#
# 36 TYR QB 50 HID HD2 4.23
&rst
ixpk= 0, nxpk= 0, iat= -1, 757, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25,
igr1= 540, 541,
&end
#
# 36 TYR HD1 37 PRO QB 5.34
&rst
ixpk= 0, nxpk= 0, iat= 544, -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr2= 564, 565,
&end
#
# 36 TYR HD1 50 HID QB 4.69
&rst
ixpk= 0, nxpk= 0, iat= 544, -1, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76,
igr2= 748, 749,
&end
#
# 36 TYR HD1 51 PRO QG 5.35
&rst
ixpk= 0, nxpk= 0, iat= 544, -1, r1= 1.30, r2= 1.80, r3= 6.01, r4= 6.51,
igr2= 765, 766,
&end
#
# 36 TYR HD1 51 PRO QD 4.62
&rst
ixpk= 0, nxpk= 0, iat= 544, -1, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,
igr2= 762, 763,
&end
#
# 36 TYR HD1 53 GLU QG 5.34
&rst
ixpk= 0, nxpk= 0, iat= 544, -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr2= 796, 797,
&end
#
# 36 TYR HE1 37 PRO QB 5.32
&rst
ixpk= 0, nxpk= 0, iat= 546, -1, r1= 1.30, r2= 1.80, r3= 5.97, r4= 6.47,
igr2= 564, 565,
&end
#
# 36 TYR HE1 50 HID QB 4.59
&rst
ixpk= 0, nxpk= 0, iat= 546, -1, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,
igr2= 748, 749,
&end
#
# 36 TYR HE1 51 PRO QB 5.34
&rst
ixpk= 0, nxpk= 0, iat= 546, -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr2= 768, 769,
&end
#
# 36 TYR HE1 51 PRO QG 4.82
&rst
ixpk= 0, nxpk= 0, iat= 546, -1, r1= 1.30, r2= 1.80, r3= 5.41, r4= 5.91,
igr2= 765, 766,
&end
#
# 36 TYR HE1 51 PRO QD 4.27
&rst
ixpk= 0, nxpk= 0, iat= 546, -1, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,
igr2= 762, 763,
&end
#
# 36 TYR HE1 52 ASN QB 5.34
&rst
ixpk= 0, nxpk= 0, iat= 546, -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr2= 779, 780,
&end
#
# 36 TYR HE1 52 ASN QD2 4.87
&rst
ixpk= 0, nxpk= 0, iat= 546, -1, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
igr2= 784, 785,
&end
#
# 36 TYR HE1 53 GLU QG 5.00
&rst
ixpk= 0, nxpk= 0, iat= 546, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2= 796, 797,
&end
#
# 36 TYR HE2 37 PRO QB 5.34
&rst
ixpk= 0, nxpk= 0, iat= 551, -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr2= 564, 565,
&end
#
# 36 TYR HE2 37 PRO QG 5.35
&rst
ixpk= 0, nxpk= 0, iat= 551, -1, r1= 1.30, r2= 1.80, r3= 6.01, r4= 6.51,
igr2= 561, 562,
&end
#
# 36 TYR HE2 37 PRO QD 5.23
&rst
ixpk= 0, nxpk= 0, iat= 551, -1, r1= 1.30, r2= 1.80, r3= 5.87, r4= 6.37,
igr2= 558, 559,
&end
#
# 36 TYR HE2 51 PRO QB 5.17
&rst
ixpk= 0, nxpk= 0, iat= 551, -1, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
igr2= 768, 769,
&end
#
# 36 TYR HE2 51 PRO QG 4.73
&rst
ixpk= 0, nxpk= 0, iat= 551, -1, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,
igr2= 765, 766,
&end
#
# 36 TYR HE2 51 PRO QD 4.12
&rst
ixpk= 0, nxpk= 0, iat= 551, -1, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
igr2= 762, 763,
&end
#
# 36 TYR HD2 37 PRO QG 5.35
&rst
ixpk= 0, nxpk= 0, iat= 553, -1, r1= 1.30, r2= 1.80, r3= 6.01, r4= 6.51,
igr2= 561, 562,
&end
#
# 36 TYR HD2 37 PRO QD 4.33
&rst
ixpk= 0, nxpk= 0, iat= 553, -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
igr2= 558, 559,
&end
#
# 36 TYR HD2 51 PRO QG 5.35
&rst
ixpk= 0, nxpk= 0, iat= 553, -1, r1= 1.30, r2= 1.80, r3= 6.01, r4= 6.51,
igr2= 765, 766,
&end
#
# 36 TYR HD2 51 PRO QD 4.39
&rst
ixpk= 0, nxpk= 0, iat= 553, -1, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43,
igr2= 762, 763,
&end
#
# 37 PRO HA 52 ASN QD2 5.34
&rst
ixpk= 0, nxpk= 0, iat= 567, -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr2= 784, 785,
&end
#
# 37 PRO QG 38 ASN QD2 4.53
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.71, r4= 6.21,
igr1= 561, 562,
igr2= 580, 581,
&end
#
# 37 PRO QD 38 ASN H 4.56
&rst
ixpk= 0, nxpk= 0, iat= -1, 571, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
igr1= 558, 559,
&end
#
# 37 PRO QD 38 ASN QD2 4.09
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,
igr1= 558, 559,
igr2= 580, 581,
&end
#
# 38 ASN H 38 ASN QB 2.90
&rst
ixpk= 0, nxpk= 0, iat= 571, -1, r1= 1.30, r2= 1.80, r3= 3.26, r4= 3.76,
igr2= 575, 576,
&end
#
# 38 ASN H 38 ASN QD2 4.72
&rst
ixpk= 0, nxpk= 0, iat= 571, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr2= 580, 581,
&end
#
# 38 ASN QB 38 ASN QD2 3.13
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44,
igr1= 575, 576,
igr2= 580, 581,
&end
#
# 39 CYX HA 40 PRO QD 3.42
&rst
ixpk= 0, nxpk= 0, iat= 587, -1, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34,
igr2= 596, 597,
&end
#
# 40 PRO HA 41 LYS QG 5.34
&rst
ixpk= 0, nxpk= 0, iat= 605, -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr2= 616, 617,
&end
#
# 40 PRO QD 41 LYS H 4.96
&rst
ixpk= 0, nxpk= 0, iat= -1, 609, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07,
igr1= 596, 597,
&end
#
# 41 LYS H 41 LYS QB 2.92
&rst
ixpk= 0, nxpk= 0, iat= 609, -1, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78,
igr2= 613, 614,
&end
#
# 41 LYS H 41 LYS QG 3.54
&rst
ixpk= 0, nxpk= 0, iat= 609, -1, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47,
igr2= 616, 617,
&end
#
# 41 LYS H 41 LYS QD 4.09
&rst
ixpk= 0, nxpk= 0, iat= 609, -1, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09,
igr2= 619, 620,
&end
#
# 41 LYS H 42 PRO QD 5.35
&rst
ixpk= 0, nxpk= 0, iat= 609, -1, r1= 1.30, r2= 1.80, r3= 6.01, r4= 6.51,
igr2= 632, 633,
&end
#
# 41 LYS H 46 CYX QB 5.29
&rst
ixpk= 0, nxpk= 0, iat= 609, -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr2= 684, 685,
&end
#
# 41 LYS HA 41 LYS QG 3.74
&rst
ixpk= 0, nxpk= 0, iat= 611, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2= 616, 617,
&end
#
# 41 LYS HA 41 LYS QE 5.34
&rst
ixpk= 0, nxpk= 0, iat= 611, -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr2= 622, 623,
&end
#
# 41 LYS QB 41 LYS QE 5.18
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.53, r4= 7.03,
igr1= 613, 614,
igr2= 622, 623,
&end
#
# 41 LYS QB 46 CYX HA 4.48
&rst
ixpk= 0, nxpk= 0, iat= -1, 682, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,
igr1= 613, 614,
&end
#
# 41 LYS QB 46 CYX QB 3.61
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05,
igr1= 613, 614,
igr2= 684, 685,
&end
#
# 41 LYS QB 50 HID HE1 3.59
&rst
ixpk= 0, nxpk= 0, iat= -1, 754, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53,
igr1= 613, 614,
&end
#
# 41 LYS QG 46 CYX H 5.34
&rst
ixpk= 0, nxpk= 0, iat= -1, 680, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr1= 616, 617,
&end
#
# 41 LYS QG 46 CYX HA 4.36
&rst
ixpk= 0, nxpk= 0, iat= -1, 682, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39,
igr1= 616, 617,
&end
#
# 41 LYS QG 46 CYX QB 4.72
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.95, r4= 6.45,
igr1= 616, 617,
igr2= 684, 685,
&end
#
# 41 LYS QD 46 CYX HA 4.06
&rst
ixpk= 0, nxpk= 0, iat= -1, 682, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06,
igr1= 619, 620,
&end
#
# 41 LYS QD 46 CYX QB 5.18
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.53, r4= 7.03,
igr1= 619, 620,
igr2= 684, 685,
&end
#
# 41 LYS QD 47 GLU H 5.34
&rst
ixpk= 0, nxpk= 0, iat= -1, 690, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr1= 619, 620,
&end
#
# 41 LYS QE 42 PRO QD 5.18
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.53, r4= 7.03,
igr1= 622, 623,
igr2= 632, 633,
&end
#
# 41 LYS QE 47 GLU H 5.34
&rst
ixpk= 0, nxpk= 0, iat= -1, 690, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr1= 622, 623,
&end
#
# 42 PRO HA 43 PRO QD 3.59
&rst
ixpk= 0, nxpk= 0, iat= 641, -1, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53,
igr2= 646, 647,
&end
#
# 42 PRO QB 43 PRO HA 4.65
&rst
ixpk= 0, nxpk= 0, iat= -1, 655, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
igr1= 638, 639,
&end
#
# 42 PRO QB 43 PRO QD 3.25
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59,
igr1= 638, 639,
igr2= 646, 647,
&end
#
# 42 PRO QB 45 THR QG2 4.44
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr1= 638, 639,
igr2= 672, 673, 674,
&end
#
# 42 PRO QG 43 PRO QD 3.90
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,
igr1= 635, 636,
igr2= 646, 647,
&end
#
# 42 PRO QG 44 GLY H 5.35
&rst
ixpk= 0, nxpk= 0, iat= -1, 659, r1= 1.30, r2= 1.80, r3= 6.01, r4= 6.51,
igr1= 635, 636,
&end
#
# 42 PRO QG 45 THR QG2 4.27
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26,
igr1= 635, 636,
igr2= 672, 673, 674,
&end
#
# 42 PRO QD 45 THR QG2 6.09
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.21, r4= 8.71,
igr1= 632, 633,
igr2= 672, 673, 674,
&end
#
# 42 PRO QD 45 THR HG1 4.64
&rst
ixpk= 0, nxpk= 0, iat= -1, 676, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71,
igr1= 632, 633,
&end
#
# 43 PRO QB 44 GLY H 3.85
&rst
ixpk= 0, nxpk= 0, iat= -1, 659, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82,
igr1= 652, 653,
&end
#
# 44 GLY H 53 GLU QG 5.34
&rst
ixpk= 0, nxpk= 0, iat= 659, -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr2= 796, 797,
&end
#
# 45 THR H 46 CYX QB 4.03
&rst
ixpk= 0, nxpk= 0, iat= 666, -1, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02,
igr2= 684, 685,
&end
#
# 45 THR HG1 46 CYX QB 5.34
&rst
ixpk= 0, nxpk= 0, iat= 676, -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr2= 684, 685,
&end
#
# 46 CYX H 46 CYX QB 2.96
&rst
ixpk= 0, nxpk= 0, iat= 680, -1, r1= 1.30, r2= 1.80, r3= 3.32, r4= 3.82,
igr2= 684, 685,
&end
#
# 46 CYX HA 47 GLU QB 4.65
&rst
ixpk= 0, nxpk= 0, iat= 682, -1, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
igr2= 694, 695,
&end
#
# 46 CYX QB 47 GLU H 3.85
&rst
ixpk= 0, nxpk= 0, iat= -1, 690, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82,
igr1= 684, 685,
&end
#
# 46 CYX QB 48 PHE H 3.82
&rst
ixpk= 0, nxpk= 0, iat= -1, 705, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79,
igr1= 684, 685,
&end
#
# 46 CYX QB 50 HID HD2 5.34
&rst
ixpk= 0, nxpk= 0, iat= -1, 757, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr1= 684, 685,
&end
#
# 46 CYX QB 50 HID HE1 3.67
&rst
ixpk= 0, nxpk= 0, iat= -1, 754, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62,
igr1= 684, 685,
&end
#
# 47 GLU H 47 GLU QB 3.39
&rst
ixpk= 0, nxpk= 0, iat= 690, -1, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31,
igr2= 694, 695,
&end
#
# 47 GLU H 47 GLU QG 3.30
&rst
ixpk= 0, nxpk= 0, iat= 690, -1, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
igr2= 697, 698,
&end
#
# 47 GLU HA 47 GLU QG 3.22
&rst
ixpk= 0, nxpk= 0, iat= 692, -1, r1= 1.30, r2= 1.80, r3= 3.61, r4= 4.11,
igr2= 697, 698,
&end
#
# 47 GLU QB 48 PHE H 4.18
&rst
ixpk= 0, nxpk= 0, iat= -1, 705, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19,
igr1= 694, 695,
&end
#
# 47 GLU QB 48 PHE HD1 4.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 713, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1= 694, 695,
&end
#
# 47 GLU QG 48 PHE H 4.27
&rst
ixpk= 0, nxpk= 0, iat= -1, 705, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,
igr1= 697, 698,
&end
#
# 47 GLU QG 48 PHE HD1 5.34
&rst
ixpk= 0, nxpk= 0, iat= -1, 713, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr1= 697, 698,
&end
#
# 47 GLU QG 48 PHE HE1 5.34
&rst
ixpk= 0, nxpk= 0, iat= -1, 715, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr1= 697, 698,
&end
#
# 48 PHE H 48 PHE QB 3.30
&rst
ixpk= 0, nxpk= 0, iat= 705, -1, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
igr2= 709, 710,
&end
#
# 48 PHE QB 48 PHE HE1 4.81
&rst
ixpk= 0, nxpk= 0, iat= -1, 715, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 709, 710,
&end
#
# 48 PHE QB 49 LEU H 3.05
&rst
ixpk= 0, nxpk= 0, iat= -1, 725, r1= 1.30, r2= 1.80, r3= 3.42, r4= 3.92,
igr1= 709, 710,
&end
#
# 48 PHE QB 50 HID HD2 4.30
&rst
ixpk= 0, nxpk= 0, iat= -1, 757, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
igr1= 709, 710,
&end
#
# 49 LEU H 49 LEU QB 2.95
&rst
ixpk= 0, nxpk= 0, iat= 725, -1, r1= 1.30, r2= 1.80, r3= 3.31, r4= 3.81,
igr2= 729, 730,
&end
#
# 49 LEU QB 50 HID H 3.70
&rst
ixpk= 0, nxpk= 0, iat= -1, 744, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65,
igr1= 729, 730,
&end
#
# 49 LEU QB 50 HID HD2 5.34
&rst
ixpk= 0, nxpk= 0, iat= -1, 757, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr1= 729, 730,
&end
#
# 49 LEU QB 58 MET QE 4.74
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.39, r4= 6.89,
igr1= 729, 730,
igr2= 876, 877, 878,
&end
#
# 49 LEU QD1 57 LEU QQD 7.39
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=11.96, r4=12.46,
igr1= 734, 735, 736,
igr2= 855, 856, 857, 859, 860, 861,
&end
#
# 49 LEU QD1 58 MET QG 4.93
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.65, r4= 7.15,
igr1= 734, 735, 736,
igr2= 872, 873,
&end
#
# 49 LEU QD2 54 ASP QB 4.74
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.39, r4= 6.89,
igr1= 738, 739, 740,
igr2= 808, 809,
&end
#
# 49 LEU QD2 57 LEU QB 6.14
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.28, r4= 8.78,
igr1= 738, 739, 740,
igr2= 850, 851,
&end
#
# 49 LEU QD2 57 LEU QQD 6.04
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.78, r4=10.28,
igr1= 738, 739, 740,
igr2= 855, 856, 857, 859, 860, 861,
&end
#
# 49 LEU QD2 58 MET QG 4.57
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66,
igr1= 738, 739, 740,
igr2= 872, 873,
&end
#
# 50 HID H 50 HID QB 3.39
&rst
ixpk= 0, nxpk= 0, iat= 744, -1, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31,
igr2= 748, 749,
&end
#
# 50 HID H 53 GLU QB 4.79
&rst
ixpk= 0, nxpk= 0, iat= 744, -1, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88,
igr2= 793, 794,
&end
#
# 50 HID H 54 ASP QB 3.66
&rst
ixpk= 0, nxpk= 0, iat= 744, -1, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,
igr2= 808, 809,
&end
#
# 50 HID H 57 LEU QQD 6.42
&rst
ixpk= 0, nxpk= 0, iat= 744, -1, r1= 1.30, r2= 1.80, r3= 8.65, r4= 9.15,
igr2= 855, 856, 857, 859, 860, 861,
&end
#
# 50 HID HA 51 PRO QD 3.58
&rst
ixpk= 0, nxpk= 0, iat= 746, -1, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52,
igr2= 762, 763,
&end
#
# 50 HID QB 53 GLU H 3.88
&rst
ixpk= 0, nxpk= 0, iat= -1, 789, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86,
igr1= 748, 749,
&end
#
# 50 HID QB 53 GLU QB 4.01
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 748, 749,
igr2= 793, 794,
&end
#
# 50 HID QB 53 GLU QG 4.30
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,
igr1= 748, 749,
igr2= 796, 797,
&end
#
# 50 HID QB 54 ASP H 2.95
&rst
ixpk= 0, nxpk= 0, iat= -1, 804, r1= 1.30, r2= 1.80, r3= 3.31, r4= 3.81,
igr1= 748, 749,
&end
#
# 50 HID HD1 53 GLU QB 5.34
&rst
ixpk= 0, nxpk= 0, iat= 752, -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr2= 793, 794,
&end
#
# 50 HID HD2 51 PRO QD 5.35
&rst
ixpk= 0, nxpk= 0, iat= 757, -1, r1= 1.30, r2= 1.80, r3= 6.01, r4= 6.51,
igr2= 762, 763,
&end
#
# 52 ASN H 52 ASN QB 2.96
&rst
ixpk= 0, nxpk= 0, iat= 775, -1, r1= 1.30, r2= 1.80, r3= 3.32, r4= 3.82,
igr2= 779, 780,
&end
#
# 52 ASN HA 55 GLU QG 5.34
&rst
ixpk= 0, nxpk= 0, iat= 777, -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr2= 823, 824,
&end
#
# 52 ASN QB 52 ASN QD2 3.11
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42,
igr1= 779, 780,
igr2= 784, 785,
&end
#
# 52 ASN QD2 54 ASP H 4.61
&rst
ixpk= 0, nxpk= 0, iat= -1, 804, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67,
igr1= 784, 785,
&end
#
# 53 GLU H 53 GLU QB 2.93
&rst
ixpk= 0, nxpk= 0, iat= 789, -1, r1= 1.30, r2= 1.80, r3= 3.29, r4= 3.79,
igr2= 793, 794,
&end
#
# 53 GLU H 53 GLU QG 3.53
&rst
ixpk= 0, nxpk= 0, iat= 789, -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
igr2= 796, 797,
&end
#
# 53 GLU HA 53 GLU QG 3.46
&rst
ixpk= 0, nxpk= 0, iat= 791, -1, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38,
igr2= 796, 797,
&end
#
# 53 GLU QB 53 GLU QG 2.11
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 2.66, r4= 3.16,
igr1= 793, 794,
igr2= 796, 797,
&end
#
# 54 ASP H 54 ASP QB 2.90
&rst
ixpk= 0, nxpk= 0, iat= 804, -1, r1= 1.30, r2= 1.80, r3= 3.26, r4= 3.76,
igr2= 808, 809,
&end
#
# 54 ASP HA 57 LEU QB 3.92
&rst
ixpk= 0, nxpk= 0, iat= 806, -1, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,
igr2= 850, 851,
&end
#
# 54 ASP QB 57 LEU QB 4.52
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
igr1= 808, 809,
igr2= 850, 851,
&end
#
# 54 ASP QB 57 LEU QQD 4.64
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.02, r4= 7.52,
igr1= 808, 809,
igr2= 855, 856, 857, 859, 860, 861,
&end
#
# 54 ASP QB 58 MET H 4.26
&rst
ixpk= 0, nxpk= 0, iat= -1, 865, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28,
igr1= 808, 809,
&end
#
# 55 GLU H 55 GLU QB 2.72
&rst
ixpk= 0, nxpk= 0, iat= 816, -1, r1= 1.30, r2= 1.80, r3= 3.05, r4= 3.55,
igr2= 820, 821,
&end
#
# 55 GLU H 55 GLU QG 4.65
&rst
ixpk= 0, nxpk= 0, iat= 816, -1, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
igr2= 823, 824,
&end
#
# 55 GLU HA 58 MET QB 3.07
&rst
ixpk= 0, nxpk= 0, iat= 818, -1, r1= 1.30, r2= 1.80, r3= 3.45, r4= 3.95,
igr2= 869, 870,
&end
#
# 55 GLU HA 58 MET QG 5.34
&rst
ixpk= 0, nxpk= 0, iat= 818, -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr2= 872, 873,
&end
#
# 55 GLU QB 55 GLU QG 2.14
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20,
igr1= 820, 821,
igr2= 823, 824,
&end
#
# 55 GLU QB 56 GLU H 2.83
&rst
ixpk= 0, nxpk= 0, iat= -1, 831, r1= 1.30, r2= 1.80, r3= 3.18, r4= 3.68,
igr1= 820, 821,
&end
#
# 55 GLU QG 56 GLU H 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 831, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 823, 824,
&end
#
# 56 GLU H 56 GLU QB 2.68
&rst
ixpk= 0, nxpk= 0, iat= 831, -1, r1= 1.30, r2= 1.80, r3= 3.01, r4= 3.51,
igr2= 835, 836,
&end
#
# 56 GLU H 56 GLU QG 3.79
&rst
ixpk= 0, nxpk= 0, iat= 831, -1, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75,
igr2= 838, 839,
&end
#
# 56 GLU HA 59 LYS QB 3.97
&rst
ixpk= 0, nxpk= 0, iat= 833, -1, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96,
igr2= 886, 887,
&end
#
# 56 GLU QB 57 LEU H 3.17
&rst
ixpk= 0, nxpk= 0, iat= -1, 846, r1= 1.30, r2= 1.80, r3= 3.56, r4= 4.06,
igr1= 835, 836,
&end
#
# 57 LEU H 57 LEU QB 2.78
&rst
ixpk= 0, nxpk= 0, iat= 846, -1, r1= 1.30, r2= 1.80, r3= 3.12, r4= 3.62,
igr2= 850, 851,
&end
#
# 57 LEU HA 57 LEU QQD 3.94
&rst
ixpk= 0, nxpk= 0, iat= 848, -1, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,
igr2= 855, 856, 857, 859, 860, 861,
&end
#
# 57 LEU QB 57 LEU HG 2.31
&rst
ixpk= 0, nxpk= 0, iat= -1, 853, r1= 1.30, r2= 1.80, r3= 2.59, r4= 3.09,
igr1= 850, 851,
&end
#
# 57 LEU QB 58 MET QG 3.64
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09,
igr1= 850, 851,
igr2= 872, 873,
&end
#
# 57 LEU HG 61 MET QG 5.34
&rst
ixpk= 0, nxpk= 0, iat= 853, -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr2= 926, 927,
&end
#
# 57 LEU QQD 60 GLU QB 4.09
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.19, r4= 6.69,
igr1= 855, 856, 857, 859, 860, 861,
igr2= 908, 909,
&end
#
# 57 LEU QQD 61 MET QG 4.91
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.43, r4= 7.93,
igr1= 855, 856, 857, 859, 860, 861,
igr2= 926, 927,
&end
#
# 58 MET H 58 MET QB 2.90
&rst
ixpk= 0, nxpk= 0, iat= 865, -1, r1= 1.30, r2= 1.80, r3= 3.26, r4= 3.76,
igr2= 869, 870,
&end
#
# 58 MET H 58 MET QG 3.55
&rst
ixpk= 0, nxpk= 0, iat= 865, -1, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48,
igr2= 872, 873,
&end
#
# 58 MET HA 58 MET QG 3.67
&rst
ixpk= 0, nxpk= 0, iat= 867, -1, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62,
igr2= 872, 873,
&end
#
# 58 MET HA 61 MET QB 2.72
&rst
ixpk= 0, nxpk= 0, iat= 867, -1, r1= 1.30, r2= 1.80, r3= 3.05, r4= 3.55,
igr2= 923, 924,
&end
#
# 58 MET QB 58 MET QG 2.18
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 2.75, r4= 3.25,
igr1= 869, 870,
igr2= 872, 873,
&end
#
# 58 MET QB 59 LYS H 3.94
&rst
ixpk= 0, nxpk= 0, iat= -1, 882, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92,
igr1= 869, 870,
&end
#
# 58 MET QG 59 LYS H 5.34
&rst
ixpk= 0, nxpk= 0, iat= -1, 882, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr1= 872, 873,
&end
#
# 59 LYS H 59 LYS QB 2.76
&rst
ixpk= 0, nxpk= 0, iat= 882, -1, r1= 1.30, r2= 1.80, r3= 3.10, r4= 3.60,
igr2= 886, 887,
&end
#
# 59 LYS H 59 LYS QG 3.38
&rst
ixpk= 0, nxpk= 0, iat= 882, -1, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29,
igr2= 889, 890,
&end
#
# 59 LYS HA 59 LYS QG 3.62
&rst
ixpk= 0, nxpk= 0, iat= 884, -1, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56,
igr2= 889, 890,
&end
#
# 60 GLU H 60 GLU QB 2.71
&rst
ixpk= 0, nxpk= 0, iat= 904, -1, r1= 1.30, r2= 1.80, r3= 3.04, r4= 3.54,
igr2= 908, 909,
&end
#
# 60 GLU H 60 GLU QG 4.33
&rst
ixpk= 0, nxpk= 0, iat= 904, -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
igr2= 911, 912,
&end
#
# 60 GLU QB 60 GLU QG 2.27
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 2.86, r4= 3.36,
igr1= 908, 909,
igr2= 911, 912,
&end
#
# 60 GLU QB 64 THR QG2 5.49
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.40, r4= 7.90,
igr1= 908, 909,
igr2= 981, 982, 983,
&end
#
# 60 GLU QG 64 THR QG2 6.29
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.48, r4= 8.98,
igr1= 911, 912,
igr2= 981, 982, 983,
&end
#
# 61 MET H 61 MET QB 3.16
&rst
ixpk= 0, nxpk= 0, iat= 919, -1, r1= 1.30, r2= 1.80, r3= 3.55, r4= 4.05,
igr2= 923, 924,
&end
#
# 61 MET H 61 MET QG 4.29
&rst
ixpk= 0, nxpk= 0, iat= 919, -1, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32,
igr2= 926, 927,
&end
#
# 61 MET HA 61 MET QG 3.59
&rst
ixpk= 0, nxpk= 0, iat= 921, -1, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53,
igr2= 926, 927,
&end
#
# 61 MET QB 62 GLU H 2.93
&rst
ixpk= 0, nxpk= 0, iat= -1, 936, r1= 1.30, r2= 1.80, r3= 3.29, r4= 3.79,
igr1= 923, 924,
&end
#
# 61 MET QG 61 MET QE 3.65
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,
igr1= 926, 927,
igr2= 930, 931, 932,
&end
#
# 61 MET QG 64 THR QG2 6.29
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.48, r4= 8.98,
igr1= 926, 927,
igr2= 981, 982, 983,
&end
#
# 62 GLU H 62 GLU QB 2.65
&rst
ixpk= 0, nxpk= 0, iat= 936, -1, r1= 1.30, r2= 1.80, r3= 2.97, r4= 3.47,
igr2= 940, 941,
&end
#
# 62 GLU HA 62 GLU QB 2.58
&rst
ixpk= 0, nxpk= 0, iat= 938, -1, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40,
igr2= 940, 941,
&end
#
# 62 GLU HA 62 GLU QG 3.64
&rst
ixpk= 0, nxpk= 0, iat= 938, -1, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59,
igr2= 943, 944,
&end
#
# 62 GLU QB 62 GLU QG 2.20
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 2.77, r4= 3.27,
igr1= 940, 941,
igr2= 943, 944,
&end
#
# 63 ARG QB 64 THR H 3.13
&rst
ixpk= 0, nxpk= 0, iat= -1, 975, r1= 1.30, r2= 1.80, r3= 3.51, r4= 4.01,
igr1= 955, 956,
&end
#
# 64 THR HA 67 GLU QB 2.56
&rst
ixpk= 0, nxpk= 0, iat= 977, -1, r1= 1.30, r2= 1.80, r3= 2.87, r4= 3.37,
igr2=1032,1033,
&end
#
# 64 THR QG2 68 PHE QB 5.64
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.60, r4= 8.10,
igr1= 981, 982, 983,
igr2=1047,1048,
&end
#
# 65 ARG H 65 ARG QB 2.90
&rst
ixpk= 0, nxpk= 0, iat= 989, -1, r1= 1.30, r2= 1.80, r3= 3.26, r4= 3.76,
igr2= 993, 994,
&end
#
# 65 ARG H 65 ARG QD 5.34
&rst
ixpk= 0, nxpk= 0, iat= 989, -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr2= 999,1000,
&end
#
# 65 ARG QG 66 GLU H 5.26
&rst
ixpk= 0, nxpk= 0, iat= -1,1013, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,
igr1= 996, 997,
&end
#
# 67 GLU H 67 GLU QG 4.09
&rst
ixpk= 0, nxpk= 0, iat=1028, -1, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09,
igr2=1035,1036,
&end
#
# 67 GLU HA 67 GLU QB 2.56
&rst
ixpk= 0, nxpk= 0, iat=1030, -1, r1= 1.30, r2= 1.80, r3= 2.87, r4= 3.37,
igr2=1032,1033,
&end
#
# 67 GLU QB 68 PHE H 2.68
&rst
ixpk= 0, nxpk= 0, iat= -1,1043, r1= 1.30, r2= 1.80, r3= 3.01, r4= 3.51,
igr1=1032,1033,
&end
#
# 67 GLU QB 68 PHE QD 7.31
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.21, r4= 9.71,
igr1=1032,1033,
igr2=1051,1059,
&end
#
# 67 GLU QB 68 PHE QE 7.31
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.21, r4= 9.71,
igr1=1032,1033,
igr2=1053,1057,
&end
#
# 68 PHE QB 69 GLN H 3.37
&rst
ixpk= 0, nxpk= 0, iat= -1,1063, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1=1047,1048,
&end
#
# 68 PHE QD 72 LYS QB 7.31
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.21, r4= 9.71,
igr1=1051,1059,
igr2=1130,1131,
&end
#
# 68 PHE QD 72 LYS QG 7.32
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.22, r4= 9.72,
igr1=1051,1059,
igr2=1133,1134,
&end
#
# 68 PHE QD 72 LYS QD 7.32
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.22, r4= 9.72,
igr1=1051,1059,
igr2=1136,1137,
&end
#
# 68 PHE QD 72 LYS QE 7.32
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.22, r4= 9.72,
igr1=1051,1059,
igr2=1139,1140,
&end
#
# 68 PHE QE 71 ARG QD 7.32
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.22, r4= 9.72,
igr1=1053,1057,
igr2=1112,1113,
&end
#
# 68 PHE QE 72 LYS QG 7.32
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.22, r4= 9.72,
igr1=1053,1057,
igr2=1133,1134,
&end
#
# 68 PHE QE 72 LYS QD 7.23
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.11, r4= 9.61,
igr1=1053,1057,
igr2=1136,1137,
&end
#
# 68 PHE QE 72 LYS QE 7.32
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.22, r4= 9.72,
igr1=1053,1057,
igr2=1139,1140,
&end
#
# 69 GLN H 69 GLN QB 2.85
&rst
ixpk= 0, nxpk= 0, iat=1063, -1, r1= 1.30, r2= 1.80, r3= 3.20, r4= 3.70,
igr2=1067,1068,
&end
#
# 69 GLN H 69 GLN QG 3.85
&rst
ixpk= 0, nxpk= 0, iat=1063, -1, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82,
igr2=1070,1071,
&end
#
# 69 GLN HA 69 GLN QB 2.40
&rst
ixpk= 0, nxpk= 0, iat=1065, -1, r1= 1.30, r2= 1.80, r3= 2.69, r4= 3.19,
igr2=1067,1068,
&end
#
# 70 LYS H 70 LYS QG 3.91
&rst
ixpk= 0, nxpk= 0, iat=1080, -1, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89,
igr2=1087,1088,
&end
#
# 71 ARG H 71 ARG QB 2.85
&rst
ixpk= 0, nxpk= 0, iat=1102, -1, r1= 1.30, r2= 1.80, r3= 3.20, r4= 3.70,
igr2=1106,1107,
&end
#
# 71 ARG H 71 ARG QD 5.34
&rst
ixpk= 0, nxpk= 0, iat=1102, -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr2=1112,1113,
&end
#
# 72 LYS H 72 LYS QB 2.35
&rst
ixpk= 0, nxpk= 0, iat=1126, -1, r1= 1.30, r2= 1.80, r3= 2.64, r4= 3.14,
igr2=1130,1131,
&end
#
# 72 LYS HA 72 LYS QG 3.45
&rst
ixpk= 0, nxpk= 0, iat=1128, -1, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37,
igr2=1133,1134,
&end
#
# 72 LYS HA 72 LYS QE 4.36
&rst
ixpk= 0, nxpk= 0, iat=1128, -1, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39,
igr2=1139,1140,
&end
#
# 72 LYS HA 75 LEU QB 2.83
&rst
ixpk= 0, nxpk= 0, iat=1128, -1, r1= 1.30, r2= 1.80, r3= 3.18, r4= 3.68,
igr2=1174,1175,
&end
#
# 72 LYS HA 75 LEU QQD 5.31
&rst
ixpk= 0, nxpk= 0, iat=1128, -1, r1= 1.30, r2= 1.80, r3= 7.16, r4= 7.66,
igr2=1179,1180,1181,1183,1184,1185,
&end
#
# 72 LYS QB 72 LYS QG 2.16
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 2.72, r4= 3.22,
igr1=1130,1131,
igr2=1133,1134,
&end
#
# 72 LYS QB 72 LYS QE 2.53
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.19, r4= 3.69,
igr1=1130,1131,
igr2=1139,1140,
&end
#
# 72 LYS QG 72 LYS QE 3.32
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68,
igr1=1133,1134,
igr2=1139,1140,
&end
#
# 72 LYS QG 75 LEU H 5.14
&rst
ixpk= 0, nxpk= 0, iat= -1,1170, r1= 1.30, r2= 1.80, r3= 5.77, r4= 6.27,
igr1=1133,1134,
&end
#
# 72 LYS QG 76 LEU H 5.03
&rst
ixpk= 0, nxpk= 0, iat= -1,1189, r1= 1.30, r2= 1.80, r3= 5.65, r4= 6.15,
igr1=1133,1134,
&end
#
# 73 ALA HA 76 LEU QQD 3.41
&rst
ixpk= 0, nxpk= 0, iat=1150, -1, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
igr2=1198,1199,1200,1202,1203,1204,
&end
#
# 74 ASP H 74 ASP QB 2.93
&rst
ixpk= 0, nxpk= 0, iat=1158, -1, r1= 1.30, r2= 1.80, r3= 3.29, r4= 3.79,
igr2=1162,1163,
&end
#
# 74 ASP QB 75 LEU H 3.40
&rst
ixpk= 0, nxpk= 0, iat= -1,1170, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32,
igr1=1162,1163,
&end
#
# 74 ASP QB 77 ALA H 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1208, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1=1162,1163,
&end
#
# 74 ASP QB 77 ALA QB 4.35
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36,
igr1=1162,1163,
igr2=1212,1213,1214,
&end
#
# 75 LEU H 75 LEU QB 2.72
&rst
ixpk= 0, nxpk= 0, iat=1170, -1, r1= 1.30, r2= 1.80, r3= 3.05, r4= 3.55,
igr2=1174,1175,
&end
#
# 75 LEU H 75 LEU QQD 4.98
&rst
ixpk= 0, nxpk= 0, iat=1170, -1, r1= 1.30, r2= 1.80, r3= 6.71, r4= 7.21,
igr2=1179,1180,1181,1183,1184,1185,
&end
#
# 75 LEU HA 75 LEU QB 2.41
&rst
ixpk= 0, nxpk= 0, iat=1172, -1, r1= 1.30, r2= 1.80, r3= 2.71, r4= 3.21,
igr2=1174,1175,
&end
#
# 75 LEU HA 75 LEU QQD 3.90
&rst
ixpk= 0, nxpk= 0, iat=1172, -1, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76,
igr2=1179,1180,1181,1183,1184,1185,
&end
#
# 75 LEU QB 76 LEU H 2.62
&rst
ixpk= 0, nxpk= 0, iat= -1,1189, r1= 1.30, r2= 1.80, r3= 2.94, r4= 3.44,
igr1=1174,1175,
&end
#
# 75 LEU QQD 78 ALA QB 5.64
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
igr1=1179,1180,1181,1183,1184,1185,
igr2=1222,1223,1224,
&end
#
# 76 LEU H 76 LEU QQD 4.91
&rst
ixpk= 0, nxpk= 0, iat=1189, -1, r1= 1.30, r2= 1.80, r3= 6.62, r4= 7.12,
igr2=1198,1199,1200,1202,1203,1204,
&end
#
# 16 PRO O 18 CYX H 1.80 2.00
&rst
ixpk= 0, nxpk= 0, iat= 259, 278, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50,
rk2=20.0, rk3=20.0, ir6=1, ialtd=0,
&end
#
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