NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type | subtype | subsubtype |
|
|
566121 |
3zj2   |
18956 | cing | 1-original | 1 | AMBER | distance | NOE | simple |
#
# 14 ALA H 16 CYX H 5.03
&rst
ixpk= 0, nxpk= 0, iat= 189, 218, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,
rk2=20.0, rk3=20.0, ir6=1, ialtd=0,
&end
#
# 8 VAL H 24 GLY H 4.60
&rst
ixpk= 0, nxpk= 0, iat= 95, 322, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, &end
#
# 56 HID H 57 SER H 5.21
&rst
ixpk= 0, nxpk= 0, iat= 800, 817, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71, &end
#
# 25 HID H 56 HID H 3.16
&rst
ixpk= 0, nxpk= 0, iat= 329, 800, r1= 1.30, r2= 1.80, r3= 3.16, r4= 3.66, &end
#
# 40 TRP H 41 CYX H 4.70
&rst
ixpk= 0, nxpk= 0, iat= 554, 578, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, &end
#
# 11 LYS H 12 PHE H 4.88
&rst
ixpk= 0, nxpk= 0, iat= 140, 162, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38, &end
#
# 42 ASP H 43 LYS H 5.03
&rst
ixpk= 0, nxpk= 0, iat= 588, 600, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53, &end
#
# 9 LEU H 24 GLY H 5.06
&rst
ixpk= 0, nxpk= 0, iat= 111, 322, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56, &end
#
# 38 LEU H 39 MET H 3.91
&rst
ixpk= 0, nxpk= 0, iat= 518, 537, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41, &end
#
# 39 MET H 55 ALA H 3.84
&rst
ixpk= 0, nxpk= 0, iat= 537, 790, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34, &end
#
# 59 LEU H 60 SER H 3.55
&rst
ixpk= 0, nxpk= 0, iat= 839, 858, r1= 1.30, r2= 1.80, r3= 3.55, r4= 4.05, &end
#
# 53 ARG H 54 LYS H 3.26
&rst
ixpk= 0, nxpk= 0, iat= 744, 768, r1= 1.30, r2= 1.80, r3= 3.26, r4= 3.76, &end
#
# 45 LEU H 47 CYX H 4.81
&rst
ixpk= 0, nxpk= 0, iat= 636, 669, r1= 1.30, r2= 1.80, r3= 4.81, r4= 5.31, &end
#
# 16 CYX H 17 SER H 4.96
&rst
ixpk= 0, nxpk= 0, iat= 218, 228, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46, &end
#
# 6 GLY H 7 ILE H 4.38
&rst
ixpk= 0, nxpk= 0, iat= 69, 76, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88, &end
#
# 21 CYX H 58 SER H 4.42
&rst
ixpk= 0, nxpk= 0, iat= 278, 828, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92, &end
#
# 10 CYX H 13 GLY H 4.67
&rst
ixpk= 0, nxpk= 0, iat= 130, 182, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17, &end
#
# 54 LYS H 55 ALA H 4.24
&rst
ixpk= 0, nxpk= 0, iat= 768, 790, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74, &end
#
# 44 ASN H 45 LEU H 5.21
&rst
ixpk= 0, nxpk= 0, iat= 622, 636, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71, &end
#
# 65 VAL H 66 LYS H 3.66
&rst
ixpk= 0, nxpk= 0, iat= 947, 963, r1= 1.30, r2= 1.80, r3= 3.66, r4= 4.16, &end
#
# 64 GLU H 65 VAL H 3.59
&rst
ixpk= 0, nxpk= 0, iat= 932, 947, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09, &end
#
# 36 ILE H 37 ASP H 2.83
&rst
ixpk= 0, nxpk= 0, iat= 487, 506, r1= 1.30, r2= 1.80, r3= 2.83, r4= 3.33, &end
#
# 14 ALA H 15 LEU H 3.44
&rst
ixpk= 0, nxpk= 0, iat= 189, 199, r1= 1.30, r2= 1.80, r3= 3.44, r4= 3.94, &end
#
# 45 LEU H 46 THR H 3.41
&rst
ixpk= 0, nxpk= 0, iat= 636, 655, r1= 1.30, r2= 1.80, r3= 3.41, r4= 3.91, &end
#
# 46 THR H 47 CYX H 3.08
&rst
ixpk= 0, nxpk= 0, iat= 655, 669, r1= 1.30, r2= 1.80, r3= 3.08, r4= 3.58, &end
#
# 13 GLY H 15 LEU H 4.49
&rst
ixpk= 0, nxpk= 0, iat= 182, 199, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99, &end
#
# 8 VAL H 9 LEU H 4.63
&rst
ixpk= 0, nxpk= 0, iat= 95, 111, r1= 1.30, r2= 1.80, r3= 4.63, r4= 5.13, &end
#
# 17 SER H 18 ASN H 3.62
&rst
ixpk= 0, nxpk= 0, iat= 228, 239, r1= 1.30, r2= 1.80, r3= 3.62, r4= 4.12, &end
#
# 59 LEU H 61 LYS H 5.10
&rst
ixpk= 0, nxpk= 0, iat= 839, 869, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60, &end
#
# 31 GLU H 32 ASP H 3.52
&rst
ixpk= 0, nxpk= 0, iat= 412, 427, r1= 1.30, r2= 1.80, r3= 3.52, r4= 4.02, &end
#
# 32 ASP H 33 ALA H 2.98
&rst
ixpk= 0, nxpk= 0, iat= 427, 439, r1= 1.30, r2= 1.80, r3= 2.98, r4= 3.48, &end
#
# 48 ASP H 49 ASN H 3.19
&rst
ixpk= 0, nxpk= 0, iat= 679, 691, r1= 1.30, r2= 1.80, r3= 3.19, r4= 3.69, &end
#
# 63 LYS H 65 VAL H 5.06
&rst
ixpk= 0, nxpk= 0, iat= 910, 947, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56, &end
#
# 63 LYS H 64 GLU H 3.77
&rst
ixpk= 0, nxpk= 0, iat= 910, 932, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27, &end
#
# 5 THR H 7 ILE H 5.14
&rst
ixpk= 0, nxpk= 0, iat= 55, 76, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64, &end
#
# 7 ILE H 8 VAL H 4.27
&rst
ixpk= 0, nxpk= 0, iat= 76, 95, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77, &end
#
# 52 CYX H 53 ARG H 4.81
&rst
ixpk= 0, nxpk= 0, iat= 734, 744, r1= 1.30, r2= 1.80, r3= 4.81, r4= 5.31, &end
#
# 47 CYX H 48 ASP H 4.16
&rst
ixpk= 0, nxpk= 0, iat= 669, 679, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66, &end
#
# 44 ASN H 47 CYX H 4.78
&rst
ixpk= 0, nxpk= 0, iat= 622, 669, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28, &end
#
# 43 LYS H 47 CYX H 4.92
&rst
ixpk= 0, nxpk= 0, iat= 600, 669, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42, &end
#
# 13 GLY H 14 ALA H 4.60
&rst
ixpk= 0, nxpk= 0, iat= 182, 189, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, &end
#
# 31 GLU H 33 ALA H 4.78
&rst
ixpk= 0, nxpk= 0, iat= 412, 439, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28, &end
#
# 12 PHE H 13 GLY H 3.26
&rst
ixpk= 0, nxpk= 0, iat= 162, 182, r1= 1.30, r2= 1.80, r3= 3.26, r4= 3.76, &end
#
# 33 ALA H 34 LYS H 4.49
&rst
ixpk= 0, nxpk= 0, iat= 439, 449, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99, &end
#
# 20 SER H 21 CYX H 3.23
&rst
ixpk= 0, nxpk= 0, iat= 267, 278, r1= 1.30, r2= 1.80, r3= 3.23, r4= 3.73, &end
#
# 60 SER H 61 LYS H 3.52
&rst
ixpk= 0, nxpk= 0, iat= 858, 869, r1= 1.30, r2= 1.80, r3= 3.52, r4= 4.02, &end
#
# 30 ASN H 31 GLU H 4.34
&rst
ixpk= 0, nxpk= 0, iat= 398, 412, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84, &end
#
# 29 ALA H 30 ASN H 3.30
&rst
ixpk= 0, nxpk= 0, iat= 388, 398, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 15 LEU H 16 CYX H 3.16
&rst
ixpk= 0, nxpk= 0, iat= 199, 218, r1= 1.30, r2= 1.80, r3= 3.16, r4= 3.66, &end
#
# 39 MET H 54 LYS HA 4.24
&rst
ixpk= 0, nxpk= 0, iat= 537, 770, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74, &end
#
# 37 ASP H 54 LYS HA 4.09
&rst
ixpk= 0, nxpk= 0, iat= 506, 770, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59, &end
#
# 25 HID H 57 SER HA 5.21
&rst
ixpk= 0, nxpk= 0, iat= 329, 819, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71, &end
#
# 56 HID HA 57 SER H 3.16
&rst
ixpk= 0, nxpk= 0, iat= 802, 817, r1= 1.30, r2= 1.80, r3= 3.16, r4= 3.66, &end
#
# 23 PHE HA 24 GLY H 3.34
&rst
ixpk= 0, nxpk= 0, iat= 304, 322, r1= 1.30, r2= 1.80, r3= 3.34, r4= 3.84, &end
#
# 8 VAL H 23 PHE HA 4.70
&rst
ixpk= 0, nxpk= 0, iat= 95, 304, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, &end
#
# 18 ASN HA 21 CYX H 5.03
&rst
ixpk= 0, nxpk= 0, iat= 241, 278, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53, &end
#
# 49 ASN HA 52 CYX H 5.06
&rst
ixpk= 0, nxpk= 0, iat= 693, 734, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56, &end
#
# 49 ASN HA 51 GLU H 4.31
&rst
ixpk= 0, nxpk= 0, iat= 693, 719, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81, &end
#
# 10 CYX H 25 HID HA 4.56
&rst
ixpk= 0, nxpk= 0, iat= 130, 331, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06, &end
#
# 37 ASP H 53 ARG HA 4.88
&rst
ixpk= 0, nxpk= 0, iat= 506, 746, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38, &end
#
# 36 ILE H 53 ARG HA 4.34
&rst
ixpk= 0, nxpk= 0, iat= 487, 746, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84, &end
#
# 37 ASP HA 39 MET H 4.63
&rst
ixpk= 0, nxpk= 0, iat= 508, 537, r1= 1.30, r2= 1.80, r3= 4.63, r4= 5.13, &end
#
# 37 ASP HA 38 LEU H 2.94
&rst
ixpk= 0, nxpk= 0, iat= 508, 518, r1= 1.30, r2= 1.80, r3= 2.94, r4= 3.44, &end
#
# 36 ILE H 37 ASP HA 4.45
&rst
ixpk= 0, nxpk= 0, iat= 487, 508, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95, &end
#
# 30 ASN HA 31 GLU H 2.80
&rst
ixpk= 0, nxpk= 0, iat= 400, 412, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 25 HID H 55 ALA HA 3.91
&rst
ixpk= 0, nxpk= 0, iat= 329, 792, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41, &end
#
# 55 ALA HA 56 HID H 2.94
&rst
ixpk= 0, nxpk= 0, iat= 792, 800, r1= 1.30, r2= 1.80, r3= 2.94, r4= 3.44, &end
#
# 12 PHE HA 16 CYX H 5.14
&rst
ixpk= 0, nxpk= 0, iat= 164, 218, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64, &end
#
# 39 MET H 55 ALA HA 5.06
&rst
ixpk= 0, nxpk= 0, iat= 537, 792, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56, &end
#
# 24 GLY H 24 GLY HA2 2.94
&rst
ixpk= 0, nxpk= 0, iat= 322, 324, r1= 1.30, r2= 1.80, r3= 2.94, r4= 3.44, &end
#
# 24 GLY HA2 56 HID H 4.63
&rst
ixpk= 0, nxpk= 0, iat= 324, 800, r1= 1.30, r2= 1.80, r3= 4.63, r4= 5.13, &end
#
# 34 LYS HA 35 VAL H 2.72
&rst
ixpk= 0, nxpk= 0, iat= 451, 471, r1= 1.30, r2= 1.80, r3= 2.72, r4= 3.22, &end
#
# 44 ASN HA 57 SER H 4.99
&rst
ixpk= 0, nxpk= 0, iat= 624, 817, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49, &end
#
# 62 ILE H 63 LYS HA 4.56
&rst
ixpk= 0, nxpk= 0, iat= 891, 912, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06, &end
#
# 5 THR HB 6 GLY H 4.52
&rst
ixpk= 0, nxpk= 0, iat= 59, 69, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02, &end
#
# 38 LEU H 39 MET HA 4.88
&rst
ixpk= 0, nxpk= 0, iat= 518, 539, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38, &end
#
# 28 PRO HA 30 ASN H 3.88
&rst
ixpk= 0, nxpk= 0, iat= 384, 398, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38, &end
#
# 64 GLU HA 65 VAL H 2.87
&rst
ixpk= 0, nxpk= 0, iat= 934, 947, r1= 1.30, r2= 1.80, r3= 2.87, r4= 3.37, &end
#
# 45 LEU HA 47 CYX H 3.95
&rst
ixpk= 0, nxpk= 0, iat= 638, 669, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45, &end
#
# 31 GLU HA 33 ALA H 3.95
&rst
ixpk= 0, nxpk= 0, iat= 414, 439, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45, &end
#
# 13 GLY HA2 14 ALA H 3.34
&rst
ixpk= 0, nxpk= 0, iat= 184, 189, r1= 1.30, r2= 1.80, r3= 3.34, r4= 3.84, &end
#
# 17 SER H 17 SER HB2 4.09
&rst
ixpk= 0, nxpk= 0, iat= 228, 232, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59, &end
#
# 64 GLU H 65 VAL HA 4.31
&rst
ixpk= 0, nxpk= 0, iat= 932, 949, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81, &end
#
# 29 ALA H 50 PRO HA 4.63
&rst
ixpk= 0, nxpk= 0, iat= 388, 715, r1= 1.30, r2= 1.80, r3= 4.63, r4= 5.13, &end
#
# 30 ASN H 50 PRO HA 4.31
&rst
ixpk= 0, nxpk= 0, iat= 398, 715, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81, &end
#
# 13 GLY HA3 15 LEU H 4.52
&rst
ixpk= 0, nxpk= 0, iat= 185, 199, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02, &end
#
# 59 LEU HA 63 LYS H 4.56
&rst
ixpk= 0, nxpk= 0, iat= 841, 910, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06, &end
#
# 60 SER H 60 SER HB2 3.77
&rst
ixpk= 0, nxpk= 0, iat= 858, 862, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27, &end
#
# 9 LEU HA 10 CYX H 2.69
&rst
ixpk= 0, nxpk= 0, iat= 113, 130, r1= 1.30, r2= 1.80, r3= 2.69, r4= 3.19, &end
#
# 10 CYX HA 12 PHE H 4.60
&rst
ixpk= 0, nxpk= 0, iat= 132, 162, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, &end
#
# 38 LEU HA 39 MET H 2.83
&rst
ixpk= 0, nxpk= 0, iat= 520, 537, r1= 1.30, r2= 1.80, r3= 2.83, r4= 3.33, &end
#
# 37 ASP H 38 LEU HA 5.06
&rst
ixpk= 0, nxpk= 0, iat= 506, 520, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56, &end
#
# 16 CYX HA 17 SER H 3.05
&rst
ixpk= 0, nxpk= 0, iat= 220, 228, r1= 1.30, r2= 1.80, r3= 3.05, r4= 3.55, &end
#
# 16 CYX HA 18 ASN H 4.27
&rst
ixpk= 0, nxpk= 0, iat= 220, 239, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77, &end
#
# 15 LEU H 16 CYX HA 4.63
&rst
ixpk= 0, nxpk= 0, iat= 199, 220, r1= 1.30, r2= 1.80, r3= 4.63, r4= 5.13, &end
#
# 13 GLY H 16 CYX HA 4.45
&rst
ixpk= 0, nxpk= 0, iat= 182, 220, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95, &end
#
# 35 VAL HA 37 ASP H 3.77
&rst
ixpk= 0, nxpk= 0, iat= 473, 506, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27, &end
#
# 17 SER H 17 SER HB3 4.09
&rst
ixpk= 0, nxpk= 0, iat= 228, 233, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59, &end
#
# 44 ASN H 47 CYX HB2 3.59
&rst
ixpk= 0, nxpk= 0, iat= 622, 673, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09, &end
#
# 46 THR H 47 CYX HB2 4.16
&rst
ixpk= 0, nxpk= 0, iat= 655, 673, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66, &end
#
# 58 SER HB2 61 LYS H 4.96
&rst
ixpk= 0, nxpk= 0, iat= 832, 869, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46, &end
#
# 44 ASN HB2 45 LEU H 3.41
&rst
ixpk= 0, nxpk= 0, iat= 626, 636, r1= 1.30, r2= 1.80, r3= 3.41, r4= 3.91, &end
#
# 58 SER HB3 61 LYS H 4.96
&rst
ixpk= 0, nxpk= 0, iat= 833, 869, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46, &end
#
# 58 SER HB3 59 LEU H 4.70
&rst
ixpk= 0, nxpk= 0, iat= 833, 839, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, &end
#
# 21 CYX H 21 CYX HB2 3.16
&rst
ixpk= 0, nxpk= 0, iat= 278, 282, r1= 1.30, r2= 1.80, r3= 3.16, r4= 3.66, &end
#
# 40 TRP H 40 TRP HB2 3.73
&rst
ixpk= 0, nxpk= 0, iat= 554, 558, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23, &end
#
# 12 PHE HB2 13 GLY H 4.20
&rst
ixpk= 0, nxpk= 0, iat= 166, 182, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 52 CYX HB2 53 ARG H 4.92
&rst
ixpk= 0, nxpk= 0, iat= 738, 744, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42, &end
#
# 47 CYX H 47 CYX HB3 2.98
&rst
ixpk= 0, nxpk= 0, iat= 669, 674, r1= 1.30, r2= 1.80, r3= 2.98, r4= 3.48, &end
#
# 52 CYX HB3 53 ARG H 4.92
&rst
ixpk= 0, nxpk= 0, iat= 739, 744, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42, &end
#
# 12 PHE H 12 PHE HB3 3.77
&rst
ixpk= 0, nxpk= 0, iat= 162, 167, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27, &end
#
# 21 CYX H 21 CYX HB3 3.16
&rst
ixpk= 0, nxpk= 0, iat= 278, 283, r1= 1.30, r2= 1.80, r3= 3.16, r4= 3.66, &end
#
# 12 PHE HB3 13 GLY H 4.20
&rst
ixpk= 0, nxpk= 0, iat= 167, 182, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 18 ASN H 18 ASN HB2 3.52
&rst
ixpk= 0, nxpk= 0, iat= 239, 243, r1= 1.30, r2= 1.80, r3= 3.52, r4= 4.02, &end
#
# 56 HID HB3 57 SER H 3.98
&rst
ixpk= 0, nxpk= 0, iat= 805, 817, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48, &end
#
# 40 TRP HB3 41 CYX H 4.34
&rst
ixpk= 0, nxpk= 0, iat= 559, 578, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84, &end
#
# 9 LEU H 24 GLY HA3 4.81
&rst
ixpk= 0, nxpk= 0, iat= 111, 325, r1= 1.30, r2= 1.80, r3= 4.81, r4= 5.31, &end
#
# 10 CYX H 24 GLY HA3 4.27
&rst
ixpk= 0, nxpk= 0, iat= 130, 325, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77, &end
#
# 32 ASP H 32 ASP HB2 3.73
&rst
ixpk= 0, nxpk= 0, iat= 427, 431, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23, &end
#
# 30 ASN HB3 31 GLU H 4.85
&rst
ixpk= 0, nxpk= 0, iat= 403, 412, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35, &end
#
# 30 ASN H 30 ASN HB3 3.70
&rst
ixpk= 0, nxpk= 0, iat= 398, 403, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20, &end
#
# 42 ASP HB3 43 LYS H 4.38
&rst
ixpk= 0, nxpk= 0, iat= 593, 600, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88, &end
#
# 10 CYX HB3 12 PHE H 4.67
&rst
ixpk= 0, nxpk= 0, iat= 135, 162, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17, &end
#
# 32 ASP H 32 ASP HB3 3.73
&rst
ixpk= 0, nxpk= 0, iat= 427, 432, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23, &end
#
# 10 CYX HB3 13 GLY H 3.52
&rst
ixpk= 0, nxpk= 0, iat= 135, 182, r1= 1.30, r2= 1.80, r3= 3.52, r4= 4.02, &end
#
# 37 ASP H 37 ASP HB2 3.73
&rst
ixpk= 0, nxpk= 0, iat= 506, 510, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23, &end
#
# 37 ASP HB3 38 LEU H 4.49
&rst
ixpk= 0, nxpk= 0, iat= 511, 518, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99, &end
#
# 37 ASP H 37 ASP HB3 3.73
&rst
ixpk= 0, nxpk= 0, iat= 506, 511, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23, &end
#
# 54 LYS H 54 LYS HB2 3.70
&rst
ixpk= 0, nxpk= 0, iat= 768, 772, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20, &end
#
# 54 LYS HB2 55 ALA H 3.59
&rst
ixpk= 0, nxpk= 0, iat= 772, 790, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09, &end
#
# 26 PRO HB3 27 THR H 3.98
&rst
ixpk= 0, nxpk= 0, iat= 354, 360, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48, &end
#
# 62 ILE HB 63 LYS H 3.88
&rst
ixpk= 0, nxpk= 0, iat= 895, 910, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38, &end
#
# 62 ILE H 62 ILE HB 3.37
&rst
ixpk= 0, nxpk= 0, iat= 891, 895, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87, &end
#
# 41 CYX H 41 CYX HB2 3.26
&rst
ixpk= 0, nxpk= 0, iat= 578, 582, r1= 1.30, r2= 1.80, r3= 3.26, r4= 3.76, &end
#
# 10 CYX HB2 13 GLY H 4.13
&rst
ixpk= 0, nxpk= 0, iat= 134, 182, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63, &end
#
# 64 GLU H 64 GLU HB3 3.59
&rst
ixpk= 0, nxpk= 0, iat= 932, 937, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09, &end
#
# 8 VAL H 8 VAL HB 3.16
&rst
ixpk= 0, nxpk= 0, iat= 95, 99, r1= 1.30, r2= 1.80, r3= 3.16, r4= 3.66, &end
#
# 39 MET H 39 MET HB2 4.06
&rst
ixpk= 0, nxpk= 0, iat= 537, 541, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56, &end
#
# 39 MET HB2 40 TRP H 3.59
&rst
ixpk= 0, nxpk= 0, iat= 541, 554, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09, &end
#
# 15 LEU H 15 LEU HB3 3.59
&rst
ixpk= 0, nxpk= 0, iat= 199, 204, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09, &end
#
# 63 LYS HB2 64 GLU H 3.98
&rst
ixpk= 0, nxpk= 0, iat= 914, 932, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48, &end
#
# 63 LYS H 63 LYS HB2 3.73
&rst
ixpk= 0, nxpk= 0, iat= 910, 914, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23, &end
#
# 59 LEU HB2 60 SER H 3.91
&rst
ixpk= 0, nxpk= 0, iat= 843, 858, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41, &end
#
# 36 ILE H 36 ILE HB 3.52
&rst
ixpk= 0, nxpk= 0, iat= 487, 491, r1= 1.30, r2= 1.80, r3= 3.52, r4= 4.02, &end
#
# 59 LEU HB3 60 SER H 3.91
&rst
ixpk= 0, nxpk= 0, iat= 844, 858, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41, &end
#
# 66 LYS H 66 LYS HB3 3.84
&rst
ixpk= 0, nxpk= 0, iat= 963, 968, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34, &end
#
# 63 LYS H 63 LYS HB3 3.73
&rst
ixpk= 0, nxpk= 0, iat= 910, 915, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23, &end
#
# 39 MET HB3 40 TRP H 3.59
&rst
ixpk= 0, nxpk= 0, iat= 542, 554, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09, &end
#
# 45 LEU H 45 LEU HB3 3.12
&rst
ixpk= 0, nxpk= 0, iat= 636, 641, r1= 1.30, r2= 1.80, r3= 3.12, r4= 3.62, &end
#
# 7 ILE HB 8 VAL H 4.45
&rst
ixpk= 0, nxpk= 0, iat= 80, 95, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95, &end
#
# 7 ILE H 7 ILE HB 3.01
&rst
ixpk= 0, nxpk= 0, iat= 76, 80, r1= 1.30, r2= 1.80, r3= 3.01, r4= 3.51, &end
#
# 44 ASN HA 56 HID HA 4.70
&rst
ixpk= 0, nxpk= 0, iat= 624, 802, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, &end
#
# 57 SER HA 58 SER H 3.26
&rst
ixpk= 0, nxpk= 0, iat= 819, 828, r1= 1.30, r2= 1.80, r3= 3.26, r4= 3.76, &end
#
# 54 LYS HA 55 ALA H 3.41
&rst
ixpk= 0, nxpk= 0, iat= 770, 790, r1= 1.30, r2= 1.80, r3= 3.41, r4= 3.91, &end
#
# 18 ASN HA 20 SER H 5.10
&rst
ixpk= 0, nxpk= 0, iat= 241, 267, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60, &end
#
# 57 SER H 57 SER HB2 3.95
&rst
ixpk= 0, nxpk= 0, iat= 817, 821, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45, &end
#
# 57 SER H 57 SER HB3 3.95
&rst
ixpk= 0, nxpk= 0, iat= 817, 822, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45, &end
#
# 56 HID HB2 57 SER H 3.98
&rst
ixpk= 0, nxpk= 0, iat= 804, 817, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48, &end
#
# 13 GLY HA3 14 ALA H 3.34
&rst
ixpk= 0, nxpk= 0, iat= 185, 189, r1= 1.30, r2= 1.80, r3= 3.34, r4= 3.84, &end
#
# 9 LEU HA 24 GLY H 3.23
&rst
ixpk= 0, nxpk= 0, iat= 113, 322, r1= 1.30, r2= 1.80, r3= 3.23, r4= 3.73, &end
#
# 10 CYX HA 24 GLY H 4.70
&rst
ixpk= 0, nxpk= 0, iat= 132, 322, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, &end
#
# 23 PHE HB2 24 GLY H 3.77
&rst
ixpk= 0, nxpk= 0, iat= 306, 322, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27, &end
#
# 25 HID H 25 HID HB2 3.77
&rst
ixpk= 0, nxpk= 0, iat= 329, 333, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27, &end
#
# 25 HID H 58 SER HA 5.06
&rst
ixpk= 0, nxpk= 0, iat= 329, 830, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56, &end
#
# 23 PHE HB3 24 GLY H 3.77
&rst
ixpk= 0, nxpk= 0, iat= 307, 322, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27, &end
#
# 52 CYX HA 53 ARG H 2.83
&rst
ixpk= 0, nxpk= 0, iat= 736, 744, r1= 1.30, r2= 1.80, r3= 2.83, r4= 3.33, &end
#
# 30 ASN HB2 31 GLU H 4.85
&rst
ixpk= 0, nxpk= 0, iat= 402, 412, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35, &end
#
# 58 SER HB2 59 LEU H 4.70
&rst
ixpk= 0, nxpk= 0, iat= 832, 839, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, &end
#
# 58 SER HA 59 LEU H 2.94
&rst
ixpk= 0, nxpk= 0, iat= 830, 839, r1= 1.30, r2= 1.80, r3= 2.94, r4= 3.44, &end
#
# 8 VAL HB 9 LEU H 4.16
&rst
ixpk= 0, nxpk= 0, iat= 99, 111, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66, &end
#
# 39 MET H 39 MET HB3 4.06
&rst
ixpk= 0, nxpk= 0, iat= 537, 542, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56, &end
#
# 59 LEU H 59 LEU HA 2.62
&rst
ixpk= 0, nxpk= 0, iat= 839, 841, r1= 1.30, r2= 1.80, r3= 2.62, r4= 3.12, &end
#
# 9 LEU H 10 CYX HA 4.70
&rst
ixpk= 0, nxpk= 0, iat= 111, 132, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, &end
#
# 52 CYX HB3 54 LYS H 5.03
&rst
ixpk= 0, nxpk= 0, iat= 739, 768, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53, &end
#
# 39 MET HA 40 TRP H 2.83
&rst
ixpk= 0, nxpk= 0, iat= 539, 554, r1= 1.30, r2= 1.80, r3= 2.83, r4= 3.33, &end
#
# 40 TRP H 40 TRP HB3 3.73
&rst
ixpk= 0, nxpk= 0, iat= 554, 559, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23, &end
#
# 44 ASN HB3 45 LEU H 3.41
&rst
ixpk= 0, nxpk= 0, iat= 627, 636, r1= 1.30, r2= 1.80, r3= 3.41, r4= 3.91, &end
#
# 45 LEU H 45 LEU HB2 3.12
&rst
ixpk= 0, nxpk= 0, iat= 636, 640, r1= 1.30, r2= 1.80, r3= 3.12, r4= 3.62, &end
#
# 12 PHE H 12 PHE HB2 3.77
&rst
ixpk= 0, nxpk= 0, iat= 162, 166, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27, &end
#
# 67 PRO HA 70 GLN H 5.39
&rst
ixpk= 0, nxpk= 0, iat= 995,1029, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89, &end
#
# 68 ILE HA 70 GLN H 4.74
&rst
ixpk= 0, nxpk= 0, iat=1001,1029, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24, &end
#
# 65 VAL HA 66 LYS H 2.87
&rst
ixpk= 0, nxpk= 0, iat= 949, 963, r1= 1.30, r2= 1.80, r3= 2.87, r4= 3.37, &end
#
# 66 LYS H 66 LYS HB2 3.84
&rst
ixpk= 0, nxpk= 0, iat= 963, 967, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34, &end
#
# 68 ILE HA 69 SER H 3.34
&rst
ixpk= 0, nxpk= 0, iat=1001,1018, r1= 1.30, r2= 1.80, r3= 3.34, r4= 3.84, &end
#
# 47 CYX HA 48 ASP H 2.72
&rst
ixpk= 0, nxpk= 0, iat= 671, 679, r1= 1.30, r2= 1.80, r3= 2.72, r4= 3.22, &end
#
# 47 CYX HB3 48 ASP H 4.16
&rst
ixpk= 0, nxpk= 0, iat= 674, 679, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66, &end
#
# 48 ASP H 48 ASP HB2 3.66
&rst
ixpk= 0, nxpk= 0, iat= 679, 683, r1= 1.30, r2= 1.80, r3= 3.66, r4= 4.16, &end
#
# 37 ASP HB2 38 LEU H 4.49
&rst
ixpk= 0, nxpk= 0, iat= 510, 518, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99, &end
#
# 35 VAL H 35 VAL HB 3.08
&rst
ixpk= 0, nxpk= 0, iat= 471, 475, r1= 1.30, r2= 1.80, r3= 3.08, r4= 3.58, &end
#
# 68 ILE H 68 ILE HB 3.52
&rst
ixpk= 0, nxpk= 0, iat= 999,1003, r1= 1.30, r2= 1.80, r3= 3.52, r4= 4.02, &end
#
# 42 ASP HB2 43 LYS H 4.38
&rst
ixpk= 0, nxpk= 0, iat= 592, 600, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88, &end
#
# 43 LYS H 47 CYX HA 4.38
&rst
ixpk= 0, nxpk= 0, iat= 600, 671, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88, &end
#
# 13 GLY HA2 15 LEU H 4.52
&rst
ixpk= 0, nxpk= 0, iat= 184, 199, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02, &end
#
# 12 PHE HB2 15 LEU H 4.81
&rst
ixpk= 0, nxpk= 0, iat= 166, 199, r1= 1.30, r2= 1.80, r3= 4.81, r4= 5.31, &end
#
# 12 PHE HB3 15 LEU H 4.81
&rst
ixpk= 0, nxpk= 0, iat= 167, 199, r1= 1.30, r2= 1.80, r3= 4.81, r4= 5.31, &end
#
# 15 LEU H 15 LEU HB2 3.59
&rst
ixpk= 0, nxpk= 0, iat= 199, 203, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09, &end
#
# 7 ILE HA 8 VAL H 2.72
&rst
ixpk= 0, nxpk= 0, iat= 78, 95, r1= 1.30, r2= 1.80, r3= 2.72, r4= 3.22, &end
#
# 64 GLU H 64 GLU HB2 3.59
&rst
ixpk= 0, nxpk= 0, iat= 932, 936, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09, &end
#
# 63 LYS HB3 64 GLU H 3.98
&rst
ixpk= 0, nxpk= 0, iat= 915, 932, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48, &end
#
# 35 VAL HA 36 ILE H 2.83
&rst
ixpk= 0, nxpk= 0, iat= 473, 487, r1= 1.30, r2= 1.80, r3= 2.83, r4= 3.33, &end
#
# 18 ASN H 18 ASN HB3 3.52
&rst
ixpk= 0, nxpk= 0, iat= 239, 244, r1= 1.30, r2= 1.80, r3= 3.52, r4= 4.02, &end
#
# 33 ALA HA 34 LYS H 2.69
&rst
ixpk= 0, nxpk= 0, iat= 441, 449, r1= 1.30, r2= 1.80, r3= 2.69, r4= 3.19, &end
#
# 60 SER HA 61 LYS H 3.55
&rst
ixpk= 0, nxpk= 0, iat= 860, 869, r1= 1.30, r2= 1.80, r3= 3.55, r4= 4.05, &end
#
# 19 PRO HA 61 LYS H 4.09
&rst
ixpk= 0, nxpk= 0, iat= 263, 869, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59, &end
#
# 59 LEU HA 61 LYS H 3.84
&rst
ixpk= 0, nxpk= 0, iat= 841, 869, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34, &end
#
# 62 ILE HA 63 LYS H 3.19
&rst
ixpk= 0, nxpk= 0, iat= 893, 910, r1= 1.30, r2= 1.80, r3= 3.19, r4= 3.69, &end
#
# 27 THR H 27 THR HB 3.73
&rst
ixpk= 0, nxpk= 0, iat= 360, 364, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23, &end
#
# 26 PRO HB2 27 THR H 3.98
&rst
ixpk= 0, nxpk= 0, iat= 353, 360, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48, &end
#
# 49 ASN H 49 ASN HB2 3.37
&rst
ixpk= 0, nxpk= 0, iat= 691, 695, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87, &end
#
# 19 PRO HA 21 CYX H 4.38
&rst
ixpk= 0, nxpk= 0, iat= 263, 278, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88, &end
#
# 52 CYX H 52 CYX HB2 3.41
&rst
ixpk= 0, nxpk= 0, iat= 734, 738, r1= 1.30, r2= 1.80, r3= 3.41, r4= 3.91, &end
#
# 46 THR HA 47 CYX H 3.55
&rst
ixpk= 0, nxpk= 0, iat= 657, 669, r1= 1.30, r2= 1.80, r3= 3.55, r4= 4.05, &end
#
# 47 CYX H 47 CYX HA 2.90
&rst
ixpk= 0, nxpk= 0, iat= 669, 671, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40, &end
#
# 27 THR HA 47 CYX H 5.06
&rst
ixpk= 0, nxpk= 0, iat= 362, 669, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56, &end
#
# 20 SER H 20 SER HB3 3.66
&rst
ixpk= 0, nxpk= 0, iat= 267, 272, r1= 1.30, r2= 1.80, r3= 3.66, r4= 4.16, &end
#
# 20 SER H 20 SER HB2 3.66
&rst
ixpk= 0, nxpk= 0, iat= 267, 271, r1= 1.30, r2= 1.80, r3= 3.66, r4= 4.16, &end
#
# 60 SER H 60 SER HB3 3.77
&rst
ixpk= 0, nxpk= 0, iat= 858, 863, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27, &end
#
# 15 LEU HB3 16 CYX H 4.49
&rst
ixpk= 0, nxpk= 0, iat= 204, 218, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99, &end
#
# 15 LEU HA 16 CYX H 3.48
&rst
ixpk= 0, nxpk= 0, iat= 201, 218, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98, &end
#
# 15 LEU HB2 16 CYX H 4.49
&rst
ixpk= 0, nxpk= 0, iat= 203, 218, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99, &end
#
# 45 LEU HA 45 LEU HB2 3.01
&rst
ixpk= 0, nxpk= 0, iat= 638, 640, r1= 1.30, r2= 1.80, r3= 3.01, r4= 3.51, &end
#
# 11 LYS HA 11 LYS HB2 3.01
&rst
ixpk= 0, nxpk= 0, iat= 142, 144, r1= 1.30, r2= 1.80, r3= 3.01, r4= 3.51, &end
#
# 9 LEU HA 24 GLY HA3 3.84
&rst
ixpk= 0, nxpk= 0, iat= 113, 325, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34, &end
#
# 11 LYS HA 11 LYS HB3 3.01
&rst
ixpk= 0, nxpk= 0, iat= 142, 145, r1= 1.30, r2= 1.80, r3= 3.01, r4= 3.51, &end
#
# 48 ASP H 48 ASP HB3 3.66
&rst
ixpk= 0, nxpk= 0, iat= 679, 684, r1= 1.30, r2= 1.80, r3= 3.66, r4= 4.16, &end
#
# 4 GLN HA 5 THR H 2.98
&rst
ixpk= 0, nxpk= 0, iat= 40, 55, r1= 1.30, r2= 1.80, r3= 2.98, r4= 3.48, &end
#
# 23 PHE H 23 PHE HB2 3.26
&rst
ixpk= 0, nxpk= 0, iat= 302, 306, r1= 1.30, r2= 1.80, r3= 3.26, r4= 3.76, &end
#
# 57 SER H 58 SER H 5.21
&rst
ixpk= 0, nxpk= 0, iat= 817, 828, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71, &end
#
# 30 ASN H 30 ASN HB2 3.70
&rst
ixpk= 0, nxpk= 0, iat= 398, 402, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20, &end
#
# 30 ASN HA 32 ASP H 3.95
&rst
ixpk= 0, nxpk= 0, iat= 400, 427, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45, &end
#
# 65 VAL HB 66 LYS H 3.88
&rst
ixpk= 0, nxpk= 0, iat= 951, 963, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38, &end
#
# 26 PRO HA 27 THR H 2.90
&rst
ixpk= 0, nxpk= 0, iat= 356, 360, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40, &end
#
# 43 LYS H 47 CYX HB2 4.27
&rst
ixpk= 0, nxpk= 0, iat= 600, 673, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77, &end
#
# 65 VAL H 65 VAL HB 3.26
&rst
ixpk= 0, nxpk= 0, iat= 947, 951, r1= 1.30, r2= 1.80, r3= 3.26, r4= 3.76, &end
#
# 67 PRO HA 68 ILE H 2.90
&rst
ixpk= 0, nxpk= 0, iat= 995, 999, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40, &end
#
# 47 CYX HA 49 ASN H 4.06
&rst
ixpk= 0, nxpk= 0, iat= 671, 691, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56, &end
#
# 45 LEU HA 45 LEU HB3 3.01
&rst
ixpk= 0, nxpk= 0, iat= 638, 641, r1= 1.30, r2= 1.80, r3= 3.01, r4= 3.51, &end
#
# 41 CYX H 54 LYS HA 5.46
&rst
ixpk= 0, nxpk= 0, iat= 578, 770, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96, &end
#
# 41 CYX H 44 ASN HA 5.32
&rst
ixpk= 0, nxpk= 0, iat= 578, 624, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82, &end
#
# 45 LEU HA 57 SER H 5.71
&rst
ixpk= 0, nxpk= 0, iat= 638, 817, r1= 1.30, r2= 1.80, r3= 5.71, r4= 6.21, &end
#
# 54 LYS H 54 LYS HB3 3.70
&rst
ixpk= 0, nxpk= 0, iat= 768, 773, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20, &end
#
# 27 THR HA 54 LYS H 5.14
&rst
ixpk= 0, nxpk= 0, iat= 362, 768, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64, &end
#
# 52 CYX HB2 54 LYS H 5.03
&rst
ixpk= 0, nxpk= 0, iat= 738, 768, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53, &end
#
# 41 CYX H 55 ALA H 3.88
&rst
ixpk= 0, nxpk= 0, iat= 578, 790, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38, &end
#
# 40 TRP HA 41 CYX H 2.80
&rst
ixpk= 0, nxpk= 0, iat= 556, 578, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 40 TRP HB2 41 CYX H 4.34
&rst
ixpk= 0, nxpk= 0, iat= 558, 578, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84, &end
#
# 41 CYX H 41 CYX HB3 3.26
&rst
ixpk= 0, nxpk= 0, iat= 578, 583, r1= 1.30, r2= 1.80, r3= 3.26, r4= 3.76, &end
#
# 10 CYX H 24 GLY H 3.62
&rst
ixpk= 0, nxpk= 0, iat= 130, 322, r1= 1.30, r2= 1.80, r3= 3.62, r4= 4.12, &end
#
# 21 CYX HA 23 PHE H 4.52
&rst
ixpk= 0, nxpk= 0, iat= 280, 302, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02, &end
#
# 10 CYX H 10 CYX HB3 3.26
&rst
ixpk= 0, nxpk= 0, iat= 130, 135, r1= 1.30, r2= 1.80, r3= 3.26, r4= 3.76, &end
#
# 9 LEU HB2 10 CYX H 3.91
&rst
ixpk= 0, nxpk= 0, iat= 115, 130, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41, &end
#
# 9 LEU HB3 10 CYX H 3.91
&rst
ixpk= 0, nxpk= 0, iat= 116, 130, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41, &end
#
# 10 CYX H 10 CYX HB2 3.19
&rst
ixpk= 0, nxpk= 0, iat= 130, 134, r1= 1.30, r2= 1.80, r3= 3.19, r4= 3.69, &end
#
# 54 LYS HB3 55 ALA H 3.59
&rst
ixpk= 0, nxpk= 0, iat= 773, 790, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09, &end
#
# 49 ASN H 49 ASN HB3 3.37
&rst
ixpk= 0, nxpk= 0, iat= 691, 696, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87, &end
#
# 52 CYX H 52 CYX HB3 3.41
&rst
ixpk= 0, nxpk= 0, iat= 734, 739, r1= 1.30, r2= 1.80, r3= 3.41, r4= 3.91, &end
#
# 50 PRO HA 52 CYX H 4.38
&rst
ixpk= 0, nxpk= 0, iat= 715, 734, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88, &end
#
# 57 SER HA 58 SER HA 5.14
&rst
ixpk= 0, nxpk= 0, iat= 819, 830, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64, &end
#
# 41 CYX H 56 HID HA 4.70
&rst
ixpk= 0, nxpk= 0, iat= 578, 802, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, &end
#
# 23 PHE HA 24 GLY HA3 4.34
&rst
ixpk= 0, nxpk= 0, iat= 304, 325, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84, &end
#
# 35 VAL HA 53 ARG HA 3.80
&rst
ixpk= 0, nxpk= 0, iat= 473, 746, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end
#
# 25 HID H 25 HID HD1 3.88
&rst
ixpk= 0, nxpk= 0, iat= 329, 337, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38, &end
#
# 25 HID HD1 58 SER H 5.82
&rst
ixpk= 0, nxpk= 0, iat= 337, 828, r1= 1.30, r2= 1.80, r3= 5.82, r4= 6.32, &end
#
# 10 CYX H 25 HID HD1 6.00
&rst
ixpk= 0, nxpk= 0, iat= 130, 337, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 25 HID H 56 HID HD1 6.00
&rst
ixpk= 0, nxpk= 0, iat= 329, 808, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 56 HID H 56 HID HD1 3.80
&rst
ixpk= 0, nxpk= 0, iat= 800, 808, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end
#
# 40 TRP HE3 57 SER H 6.00
&rst
ixpk= 0, nxpk= 0, iat= 573, 817, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 25 HID H 25 HID HD2 6.00
&rst
ixpk= 0, nxpk= 0, iat= 329, 342, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 25 HID H 40 TRP HZ3 5.53
&rst
ixpk= 0, nxpk= 0, iat= 329, 571, r1= 1.30, r2= 1.80, r3= 5.53, r4= 6.03, &end
#
# 25 HID HD1 56 HID H 6.00
&rst
ixpk= 0, nxpk= 0, iat= 337, 800, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 56 HID H 56 HID HE1 6.00
&rst
ixpk= 0, nxpk= 0, iat= 800, 810, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 56 HID H 56 HID HD2 6.00
&rst
ixpk= 0, nxpk= 0, iat= 800, 813, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 40 TRP HZ3 56 HID H 6.00
&rst
ixpk= 0, nxpk= 0, iat= 571, 800, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 53 ARG H 56 HID HE1 6.00
&rst
ixpk= 0, nxpk= 0, iat= 744, 810, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 40 TRP HE3 41 CYX H 4.88
&rst
ixpk= 0, nxpk= 0, iat= 573, 578, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38, &end
#
# 25 HID HD2 59 LEU H 6.00
&rst
ixpk= 0, nxpk= 0, iat= 342, 839, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 40 TRP H 40 TRP HD1 3.98
&rst
ixpk= 0, nxpk= 0, iat= 554, 562, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48, &end
#
# 45 LEU H 56 HID HD2 6.00
&rst
ixpk= 0, nxpk= 0, iat= 636, 813, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 12 PHE H 12 PHE QE 8.13
&rst
ixpk= 0, nxpk= 0, iat= 162, -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
igr2= 172, 176,
&end
#
# 12 PHE H 12 PHE QD 7.59
&rst
ixpk= 0, nxpk= 0, iat= 162, -1, r1= 1.30, r2= 1.80, r3= 8.52, r4= 9.02,
igr2= 170, 178,
&end
#
# 27 THR H 56 HID HE1 4.45
&rst
ixpk= 0, nxpk= 0, iat= 360, 810, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95, &end
#
# 23 PHE H 23 PHE QE 8.13
&rst
ixpk= 0, nxpk= 0, iat= 302, -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
igr2= 312, 316,
&end
#
# 40 TRP HE3 55 ALA H 6.00
&rst
ixpk= 0, nxpk= 0, iat= 573, 790, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 8 VAL H 40 TRP HZ2 6.00
&rst
ixpk= 0, nxpk= 0, iat= 95, 567, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 44 ASN HD22 56 HID HD2 6.00
&rst
ixpk= 0, nxpk= 0, iat= 632, 813, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 23 PHE H 25 HID HE1 4.27
&rst
ixpk= 0, nxpk= 0, iat= 302, 339, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77, &end
#
# 44 ASN H 56 HID HD2 4.70
&rst
ixpk= 0, nxpk= 0, iat= 622, 813, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, &end
#
# 47 CYX H 56 HID HD2 4.74
&rst
ixpk= 0, nxpk= 0, iat= 669, 813, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24, &end
#
# 23 PHE QD 25 HID HE1 8.13
&rst
ixpk= 0, nxpk= 0, iat= -1, 339, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
igr1= 310, 318,
&end
#
# 27 THR H 56 HID HD1 5.57
&rst
ixpk= 0, nxpk= 0, iat= 360, 808, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07, &end
#
# 44 ASN HD21 45 LEU H 6.00
&rst
ixpk= 0, nxpk= 0, iat= 631, 636, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 52 CYX H 56 HID HE1 6.00
&rst
ixpk= 0, nxpk= 0, iat= 734, 810, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 44 ASN HD21 56 HID HD2 6.00
&rst
ixpk= 0, nxpk= 0, iat= 631, 813, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 23 PHE QD 24 GLY H 8.13
&rst
ixpk= 0, nxpk= 0, iat= -1, 322, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
igr1= 310, 318,
&end
#
# 8 VAL H 23 PHE QD 8.13
&rst
ixpk= 0, nxpk= 0, iat= 95, -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
igr2= 310, 318,
&end
#
# 44 ASN HD22 45 LEU H 6.00
&rst
ixpk= 0, nxpk= 0, iat= 632, 636, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 16 CYX H 25 HID HD2 5.10
&rst
ixpk= 0, nxpk= 0, iat= 218, 342, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60, &end
#
# 25 HID H 40 TRP HH2 6.00
&rst
ixpk= 0, nxpk= 0, iat= 329, 569, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 25 HID HE1 40 TRP HH2 6.00
&rst
ixpk= 0, nxpk= 0, iat= 339, 569, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 25 HID HE1 40 TRP HZ3 6.00
&rst
ixpk= 0, nxpk= 0, iat= 339, 571, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 25 HID HD1 40 TRP HZ3 6.00
&rst
ixpk= 0, nxpk= 0, iat= 337, 571, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 40 TRP HZ3 57 SER H 6.00
&rst
ixpk= 0, nxpk= 0, iat= 571, 817, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 27 THR HG1 56 HID HE1 5.86
&rst
ixpk= 0, nxpk= 0, iat= 370, 810, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36, &end
#
# 27 THR HG1 29 ALA H 3.98
&rst
ixpk= 0, nxpk= 0, iat= 370, 388, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48, &end
#
# 27 THR HG1 49 ASN H 5.42
&rst
ixpk= 0, nxpk= 0, iat= 370, 691, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92, &end
#
# 27 THR HG1 52 CYX H 6.00
&rst
ixpk= 0, nxpk= 0, iat= 370, 734, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 27 THR HG1 47 CYX H 6.00
&rst
ixpk= 0, nxpk= 0, iat= 370, 669, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 40 TRP HE3 57 SER HA 6.00
&rst
ixpk= 0, nxpk= 0, iat= 573, 819, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 40 TRP HZ3 57 SER HA 5.24
&rst
ixpk= 0, nxpk= 0, iat= 571, 819, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74, &end
#
# 56 HID HA 56 HID HD1 6.00
&rst
ixpk= 0, nxpk= 0, iat= 802, 808, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 40 TRP HZ3 56 HID HA 5.78
&rst
ixpk= 0, nxpk= 0, iat= 571, 802, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28, &end
#
# 25 HID HA 25 HID HD1 6.00
&rst
ixpk= 0, nxpk= 0, iat= 331, 337, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 25 HID HA 25 HID HE1 6.00
&rst
ixpk= 0, nxpk= 0, iat= 331, 339, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 25 HID HA 25 HID HD2 5.06
&rst
ixpk= 0, nxpk= 0, iat= 331, 342, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56, &end
#
# 53 ARG HA 56 HID HE1 6.00
&rst
ixpk= 0, nxpk= 0, iat= 746, 810, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 55 ALA HA 56 HID HD1 3.70
&rst
ixpk= 0, nxpk= 0, iat= 792, 808, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20, &end
#
# 24 GLY HA2 25 HID HD1 5.17
&rst
ixpk= 0, nxpk= 0, iat= 324, 337, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67, &end
#
# 24 GLY HA2 40 TRP HZ2 6.00
&rst
ixpk= 0, nxpk= 0, iat= 324, 567, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 24 GLY HA2 40 TRP HE3 6.00
&rst
ixpk= 0, nxpk= 0, iat= 324, 573, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 44 ASN HA 56 HID HD2 3.12
&rst
ixpk= 0, nxpk= 0, iat= 624, 813, r1= 1.30, r2= 1.80, r3= 3.12, r4= 3.62, &end
#
# 18 ASN HD21 21 CYX HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= 248, 280, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 12 PHE QE 16 CYX HA 8.13
&rst
ixpk= 0, nxpk= 0, iat= -1, 220, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
igr1= 172, 176,
&end
#
# 47 CYX HB2 56 HID HE1 6.00
&rst
ixpk= 0, nxpk= 0, iat= 673, 810, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 28 PRO HD3 56 HID HE1 6.00
&rst
ixpk= 0, nxpk= 0, iat= 376, 810, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 25 HID HB3 59 LEU H 6.00
&rst
ixpk= 0, nxpk= 0, iat= 334, 839, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 47 CYX HB3 56 HID HD2 3.95
&rst
ixpk= 0, nxpk= 0, iat= 674, 813, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45, &end
#
# 24 GLY HA3 40 TRP HZ3 5.10
&rst
ixpk= 0, nxpk= 0, iat= 325, 571, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60, &end
#
# 25 HID HD1 58 SER HA 5.71
&rst
ixpk= 0, nxpk= 0, iat= 337, 830, r1= 1.30, r2= 1.80, r3= 5.71, r4= 6.21, &end
#
# 25 HID HD2 58 SER HA 5.39
&rst
ixpk= 0, nxpk= 0, iat= 342, 830, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89, &end
#
# 10 CYX HB3 24 GLY H 6.00
&rst
ixpk= 0, nxpk= 0, iat= 135, 322, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 10 CYX HB3 25 HID HE1 6.00
&rst
ixpk= 0, nxpk= 0, iat= 135, 339, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 10 CYX HB3 25 HID HD2 4.02
&rst
ixpk= 0, nxpk= 0, iat= 135, 342, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52, &end
#
# 10 CYX HB3 23 PHE QD 8.13
&rst
ixpk= 0, nxpk= 0, iat= 135, -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
igr2= 310, 318,
&end
#
# 37 ASP HB2 55 ALA H 6.00
&rst
ixpk= 0, nxpk= 0, iat= 510, 790, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 51 GLU H 51 GLU HG2 4.06
&rst
ixpk= 0, nxpk= 0, iat= 719, 726, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56, &end
#
# 30 ASN HD22 50 PRO HB2 6.00
&rst
ixpk= 0, nxpk= 0, iat= 408, 712, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 64 GLU HG2 65 VAL H 6.00
&rst
ixpk= 0, nxpk= 0, iat= 939, 947, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 64 GLU H 64 GLU HG2 5.78
&rst
ixpk= 0, nxpk= 0, iat= 932, 939, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28, &end
#
# 28 PRO HG3 46 THR H 6.00
&rst
ixpk= 0, nxpk= 0, iat= 379, 655, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 28 PRO HG3 29 ALA H 4.67
&rst
ixpk= 0, nxpk= 0, iat= 379, 388, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17, &end
#
# 51 GLU H 51 GLU HG3 4.06
&rst
ixpk= 0, nxpk= 0, iat= 719, 727, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56, &end
#
# 30 ASN HD22 50 PRO HB3 6.00
&rst
ixpk= 0, nxpk= 0, iat= 408, 713, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 39 MET H 54 LYS HB2 6.00
&rst
ixpk= 0, nxpk= 0, iat= 537, 772, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 64 GLU HG3 65 VAL H 6.00
&rst
ixpk= 0, nxpk= 0, iat= 940, 947, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 64 GLU H 64 GLU HG3 5.78
&rst
ixpk= 0, nxpk= 0, iat= 932, 940, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28, &end
#
# 30 ASN HD21 50 PRO HB3 6.00
&rst
ixpk= 0, nxpk= 0, iat= 407, 713, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 10 CYX HB2 25 HID HD2 4.49
&rst
ixpk= 0, nxpk= 0, iat= 134, 342, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99, &end
#
# 8 VAL HB 24 GLY H 6.00
&rst
ixpk= 0, nxpk= 0, iat= 99, 322, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 8 VAL HB 23 PHE QD 5.75
&rst
ixpk= 0, nxpk= 0, iat= 99, -1, r1= 1.30, r2= 1.80, r3= 6.45, r4= 6.95,
igr2= 310, 318,
&end
#
# 14 ALA H 15 LEU HG 6.00
&rst
ixpk= 0, nxpk= 0, iat= 189, 206, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 15 LEU HG 16 CYX H 6.00
&rst
ixpk= 0, nxpk= 0, iat= 206, 218, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 59 LEU H 59 LEU HG 3.48
&rst
ixpk= 0, nxpk= 0, iat= 839, 846, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98, &end
#
# 59 LEU HG 61 LYS H 6.00
&rst
ixpk= 0, nxpk= 0, iat= 846, 869, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 45 LEU HG 62 ILE H 5.64
&rst
ixpk= 0, nxpk= 0, iat= 643, 891, r1= 1.30, r2= 1.80, r3= 5.64, r4= 6.14, &end
#
# 44 ASN HD22 45 LEU HG 6.00
&rst
ixpk= 0, nxpk= 0, iat= 632, 643, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 62 ILE H 62 ILE HG12 4.16
&rst
ixpk= 0, nxpk= 0, iat= 891, 901, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66, &end
#
# 39 MET H 54 LYS HB3 6.00
&rst
ixpk= 0, nxpk= 0, iat= 537, 773, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 7 ILE HG12 8 VAL H 6.00
&rst
ixpk= 0, nxpk= 0, iat= 86, 95, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 7 ILE HG12 40 TRP HD1 6.00
&rst
ixpk= 0, nxpk= 0, iat= 86, 562, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 11 LYS HG2 12 PHE H 5.68
&rst
ixpk= 0, nxpk= 0, iat= 147, 162, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18, &end
#
# 11 LYS HG2 12 PHE QE 8.13
&rst
ixpk= 0, nxpk= 0, iat= 147, -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
igr2= 172, 176,
&end
#
# 11 LYS HG3 12 PHE QD 8.13
&rst
ixpk= 0, nxpk= 0, iat= 148, -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
igr2= 170, 178,
&end
#
# 11 LYS HG3 12 PHE H 5.68
&rst
ixpk= 0, nxpk= 0, iat= 148, 162, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18, &end
#
# 11 LYS HG3 12 PHE QE 8.13
&rst
ixpk= 0, nxpk= 0, iat= 148, -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
igr2= 172, 176,
&end
#
# 7 ILE HG13 8 VAL H 6.00
&rst
ixpk= 0, nxpk= 0, iat= 87, 95, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 25 HID HA 26 PRO HD3 3.48
&rst
ixpk= 0, nxpk= 0, iat= 331, 348, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98, &end
#
# 27 THR HG1 47 CYX HB3 4.02
&rst
ixpk= 0, nxpk= 0, iat= 370, 674, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52, &end
#
# 25 HID HB2 57 SER HA 6.00
&rst
ixpk= 0, nxpk= 0, iat= 333, 819, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 27 THR HG1 28 PRO HG3 6.00
&rst
ixpk= 0, nxpk= 0, iat= 370, 379, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 27 THR HG1 28 PRO HG2 6.00
&rst
ixpk= 0, nxpk= 0, iat= 370, 378, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 10 CYX HB2 23 PHE HA 6.00
&rst
ixpk= 0, nxpk= 0, iat= 134, 304, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 25 HID HB2 59 LEU H 6.00
&rst
ixpk= 0, nxpk= 0, iat= 333, 839, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 41 CYX HB2 54 LYS H 6.00
&rst
ixpk= 0, nxpk= 0, iat= 582, 768, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 27 THR HB 56 HID HE1 3.44
&rst
ixpk= 0, nxpk= 0, iat= 364, 810, r1= 1.30, r2= 1.80, r3= 3.44, r4= 3.94, &end
#
# 10 CYX H 23 PHE HB3 4.42
&rst
ixpk= 0, nxpk= 0, iat= 130, 307, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92, &end
#
# 54 LYS HG2 55 ALA H 6.00
&rst
ixpk= 0, nxpk= 0, iat= 775, 790, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 15 LEU H 15 LEU HG 3.77
&rst
ixpk= 0, nxpk= 0, iat= 199, 206, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27, &end
#
# 36 ILE H 36 ILE HG13 5.53
&rst
ixpk= 0, nxpk= 0, iat= 487, 498, r1= 1.30, r2= 1.80, r3= 5.53, r4= 6.03, &end
#
# 47 CYX HB2 56 HID HD2 3.44
&rst
ixpk= 0, nxpk= 0, iat= 673, 813, r1= 1.30, r2= 1.80, r3= 3.44, r4= 3.94, &end
#
# 25 HID HE1 58 SER HA 5.21
&rst
ixpk= 0, nxpk= 0, iat= 339, 830, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71, &end
#
# 62 ILE H 62 ILE HG13 4.16
&rst
ixpk= 0, nxpk= 0, iat= 891, 902, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66, &end
#
# 44 ASN HD21 45 LEU HG 6.00
&rst
ixpk= 0, nxpk= 0, iat= 631, 643, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 30 ASN HD21 50 PRO HB2 6.00
&rst
ixpk= 0, nxpk= 0, iat= 407, 712, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 10 CYX HB2 23 PHE QD 7.88
&rst
ixpk= 0, nxpk= 0, iat= 134, -1, r1= 1.30, r2= 1.80, r3= 8.85, r4= 9.35,
igr2= 310, 318,
&end
#
# 59 LEU HG 60 SER H 5.89
&rst
ixpk= 0, nxpk= 0, iat= 846, 858, r1= 1.30, r2= 1.80, r3= 5.89, r4= 6.39, &end
#
# 39 MET HA 40 TRP HD1 6.00
&rst
ixpk= 0, nxpk= 0, iat= 539, 562, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 18 ASN HD22 21 CYX HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= 249, 280, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 24 GLY HA3 40 TRP HH2 5.53
&rst
ixpk= 0, nxpk= 0, iat= 325, 569, r1= 1.30, r2= 1.80, r3= 5.53, r4= 6.03, &end
#
# 25 HID HB2 40 TRP HZ3 6.00
&rst
ixpk= 0, nxpk= 0, iat= 333, 571, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 27 THR HG1 28 PRO HA 6.00
&rst
ixpk= 0, nxpk= 0, iat= 370, 384, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 27 THR HG1 29 ALA HA 6.00
&rst
ixpk= 0, nxpk= 0, iat= 370, 390, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 18 ASN HA 19 PRO HD3 2.87
&rst
ixpk= 0, nxpk= 0, iat= 241, 255, r1= 1.30, r2= 1.80, r3= 2.87, r4= 3.37, &end
#
# 66 LYS HA 67 PRO HD2 3.84
&rst
ixpk= 0, nxpk= 0, iat= 965, 986, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34, &end
#
# 66 LYS HA 67 PRO HD3 3.84
&rst
ixpk= 0, nxpk= 0, iat= 965, 987, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34, &end
#
# 14 ALA HA 26 PRO HD3 4.92
&rst
ixpk= 0, nxpk= 0, iat= 191, 348, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42, &end
#
# 14 ALA HA 26 PRO HD2 4.92
&rst
ixpk= 0, nxpk= 0, iat= 191, 347, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42, &end
#
# 51 GLU HA 51 GLU HG2 4.16
&rst
ixpk= 0, nxpk= 0, iat= 721, 726, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66, &end
#
# 51 GLU HA 51 GLU HG3 4.16
&rst
ixpk= 0, nxpk= 0, iat= 721, 727, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66, &end
#
# 27 THR HB 52 CYX HB2 4.38
&rst
ixpk= 0, nxpk= 0, iat= 364, 738, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88, &end
#
# 43 LYS HA 43 LYS HG2 3.80
&rst
ixpk= 0, nxpk= 0, iat= 602, 607, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end
#
# 19 PRO HA 58 SER HB2 4.60
&rst
ixpk= 0, nxpk= 0, iat= 263, 832, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, &end
#
# 30 ASN HB2 50 PRO HA 4.13
&rst
ixpk= 0, nxpk= 0, iat= 402, 715, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63, &end
#
# 30 ASN HB3 50 PRO HA 4.13
&rst
ixpk= 0, nxpk= 0, iat= 403, 715, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63, &end
#
# 10 CYX HA 23 PHE HB2 4.96
&rst
ixpk= 0, nxpk= 0, iat= 132, 306, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46, &end
#
# 10 CYX HA 23 PHE HB3 4.96
&rst
ixpk= 0, nxpk= 0, iat= 132, 307, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46, &end
#
# 27 THR HA 28 PRO HD2 3.16
&rst
ixpk= 0, nxpk= 0, iat= 362, 375, r1= 1.30, r2= 1.80, r3= 3.16, r4= 3.66, &end
#
# 21 CYX HA 22 PRO HD2 3.52
&rst
ixpk= 0, nxpk= 0, iat= 280, 289, r1= 1.30, r2= 1.80, r3= 3.52, r4= 4.02, &end
#
# 21 CYX HA 22 PRO HD3 3.52
&rst
ixpk= 0, nxpk= 0, iat= 280, 290, r1= 1.30, r2= 1.80, r3= 3.52, r4= 4.02, &end
#
# 19 PRO HA 58 SER HB3 4.60
&rst
ixpk= 0, nxpk= 0, iat= 263, 833, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, &end
#
# 10 CYX HB2 23 PHE HB2 4.42
&rst
ixpk= 0, nxpk= 0, iat= 134, 306, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92, &end
#
# 27 THR HA 47 CYX HB3 4.88
&rst
ixpk= 0, nxpk= 0, iat= 362, 674, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38, &end
#
# 27 THR HB 52 CYX HB3 4.38
&rst
ixpk= 0, nxpk= 0, iat= 364, 739, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88, &end
#
# 10 CYX HB2 23 PHE HB3 4.42
&rst
ixpk= 0, nxpk= 0, iat= 134, 307, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92, &end
#
# 27 THR HA 28 PRO HD3 3.16
&rst
ixpk= 0, nxpk= 0, iat= 362, 376, r1= 1.30, r2= 1.80, r3= 3.16, r4= 3.66, &end
#
# 28 PRO HG3 45 LEU HA 4.06
&rst
ixpk= 0, nxpk= 0, iat= 379, 638, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56, &end
#
# 28 PRO HG3 59 LEU HG 4.38
&rst
ixpk= 0, nxpk= 0, iat= 379, 846, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88, &end
#
# 41 CYX HA 54 LYS HD3 4.02
&rst
ixpk= 0, nxpk= 0, iat= 580, 779, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52, &end
#
# 41 CYX HA 54 LYS HD2 4.02
&rst
ixpk= 0, nxpk= 0, iat= 580, 778, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52, &end
#
# 43 LYS HA 43 LYS HG3 3.80
&rst
ixpk= 0, nxpk= 0, iat= 602, 608, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end
#
# 28 PRO HG3 47 CYX HB3 5.53
&rst
ixpk= 0, nxpk= 0, iat= 379, 674, r1= 1.30, r2= 1.80, r3= 5.53, r4= 6.03, &end
#
# 58 SER HA 59 LEU HG 6.00
&rst
ixpk= 0, nxpk= 0, iat= 830, 846, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 27 THR HG1 47 CYX HB2 5.86
&rst
ixpk= 0, nxpk= 0, iat= 370, 673, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36, &end
#
# 27 THR HA 56 HID HD1 5.46
&rst
ixpk= 0, nxpk= 0, iat= 362, 808, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96, &end
#
# 24 GLY HA3 25 HID HD1 6.00
&rst
ixpk= 0, nxpk= 0, iat= 325, 337, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 25 HID HD1 57 SER HA 4.20
&rst
ixpk= 0, nxpk= 0, iat= 337, 819, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 25 HID HD1 57 SER H 6.00
&rst
ixpk= 0, nxpk= 0, iat= 337, 817, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 27 THR H 27 THR HG1 5.42
&rst
ixpk= 0, nxpk= 0, iat= 360, 370, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92, &end
#
# 56 HID HD2 57 SER H 6.00
&rst
ixpk= 0, nxpk= 0, iat= 813, 817, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 27 THR HG1 30 ASN H 6.00
&rst
ixpk= 0, nxpk= 0, iat= 370, 398, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 25 HID HD1 59 LEU H 6.00
&rst
ixpk= 0, nxpk= 0, iat= 337, 839, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 25 HID HD1 40 TRP HH2 6.00
&rst
ixpk= 0, nxpk= 0, iat= 337, 569, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 25 HID HD1 55 ALA HA 6.00
&rst
ixpk= 0, nxpk= 0, iat= 337, 792, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 40 TRP HE3 56 HID H 6.00
&rst
ixpk= 0, nxpk= 0, iat= 573, 800, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 27 THR HB 56 HID HD1 6.00
&rst
ixpk= 0, nxpk= 0, iat= 364, 808, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 25 HID H 25 HID HE1 6.00
&rst
ixpk= 0, nxpk= 0, iat= 329, 339, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 45 LEU HG 57 SER H 5.78
&rst
ixpk= 0, nxpk= 0, iat= 643, 817, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28, &end
#
# 36 ILE H 36 ILE HG12 5.53
&rst
ixpk= 0, nxpk= 0, iat= 487, 497, r1= 1.30, r2= 1.80, r3= 5.53, r4= 6.03, &end
#
# 55 ALA H 56 HID HD1 6.00
&rst
ixpk= 0, nxpk= 0, iat= 790, 808, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 40 TRP H 40 TRP HE1 6.00
&rst
ixpk= 0, nxpk= 0, iat= 554, 564, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 7 ILE HA 40 TRP HE1 6.00
&rst
ixpk= 0, nxpk= 0, iat= 78, 564, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 40 TRP HE3 56 HID HA 4.27
&rst
ixpk= 0, nxpk= 0, iat= 573, 802, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77, &end
#
# 40 TRP HA 40 TRP HE3 3.41
&rst
ixpk= 0, nxpk= 0, iat= 556, 573, r1= 1.30, r2= 1.80, r3= 3.41, r4= 3.91, &end
#
# 40 TRP HB3 40 TRP HE3 4.13
&rst
ixpk= 0, nxpk= 0, iat= 559, 573, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63, &end
#
# 40 TRP HB3 40 TRP HD1 3.80
&rst
ixpk= 0, nxpk= 0, iat= 559, 562, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end
#
# 40 TRP HB2 40 TRP HD1 3.80
&rst
ixpk= 0, nxpk= 0, iat= 558, 562, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end
#
# 40 TRP HB2 40 TRP HE3 4.13
&rst
ixpk= 0, nxpk= 0, iat= 558, 573, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63, &end
#
# 7 ILE HG13 40 TRP HD1 6.00
&rst
ixpk= 0, nxpk= 0, iat= 87, 562, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 8 VAL HB 23 PHE HZ 6.00
&rst
ixpk= 0, nxpk= 0, iat= 99, 314, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 23 PHE HA 23 PHE QD 6.00
&rst
ixpk= 0, nxpk= 0, iat= 304, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 310, 318,
&end
#
# 9 LEU HA 23 PHE QD 8.13
&rst
ixpk= 0, nxpk= 0, iat= 113, -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
igr2= 310, 318,
&end
#
# 10 CYX HA 23 PHE QD 7.62
&rst
ixpk= 0, nxpk= 0, iat= 132, -1, r1= 1.30, r2= 1.80, r3= 8.55, r4= 9.05,
igr2= 310, 318,
&end
#
# 7 ILE HA 40 TRP HZ2 5.03
&rst
ixpk= 0, nxpk= 0, iat= 78, 567, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53, &end
#
# 8 VAL HB 23 PHE QE 6.76
&rst
ixpk= 0, nxpk= 0, iat= 99, -1, r1= 1.30, r2= 1.80, r3= 7.59, r4= 8.09,
igr2= 312, 316,
&end
#
# 12 PHE HA 12 PHE QD 7.01
&rst
ixpk= 0, nxpk= 0, iat= 164, -1, r1= 1.30, r2= 1.80, r3= 7.87, r4= 8.37,
igr2= 170, 178,
&end
#
# 12 PHE QD 16 CYX HA 8.13
&rst
ixpk= 0, nxpk= 0, iat= -1, 220, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
igr1= 170, 178,
&end
#
# 11 LYS HG2 12 PHE QD 8.13
&rst
ixpk= 0, nxpk= 0, iat= 147, -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
igr2= 170, 178,
&end
#
# 11 LYS HG3 12 PHE HZ 6.00
&rst
ixpk= 0, nxpk= 0, iat= 148, 174, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 11 LYS HG2 12 PHE HZ 6.00
&rst
ixpk= 0, nxpk= 0, iat= 147, 174, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 7 ILE HA 40 TRP HH2 6.00
&rst
ixpk= 0, nxpk= 0, iat= 78, 569, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 40 TRP HH2 57 SER HA 6.00
&rst
ixpk= 0, nxpk= 0, iat= 569, 819, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 23 PHE HA 40 TRP HH2 6.00
&rst
ixpk= 0, nxpk= 0, iat= 304, 569, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 24 GLY HA2 40 TRP HH2 4.85
&rst
ixpk= 0, nxpk= 0, iat= 324, 569, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35, &end
#
# 24 GLY HA2 40 TRP HZ3 3.77
&rst
ixpk= 0, nxpk= 0, iat= 324, 571, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27, &end
#
# 41 CYX H 56 HID HD2 6.00
&rst
ixpk= 0, nxpk= 0, iat= 578, 813, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 14 ALA HA 25 HID HD2 6.00
&rst
ixpk= 0, nxpk= 0, iat= 191, 342, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 16 CYX HB2 25 HID HD2 3.91
&rst
ixpk= 0, nxpk= 0, iat= 222, 342, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41, &end
#
# 16 CYX HB3 25 HID HD2 3.91
&rst
ixpk= 0, nxpk= 0, iat= 223, 342, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41, &end
#
# 56 HID HA 56 HID HD2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 802, 813, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 25 HID HE1 57 SER HA 6.00
&rst
ixpk= 0, nxpk= 0, iat= 339, 819, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 27 THR HA 56 HID HD2 4.96
&rst
ixpk= 0, nxpk= 0, iat= 362, 813, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46, &end
#
# 41 CYX HB3 56 HID HD2 4.42
&rst
ixpk= 0, nxpk= 0, iat= 583, 813, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92, &end
#
# 41 CYX HB2 56 HID HD2 4.42
&rst
ixpk= 0, nxpk= 0, iat= 582, 813, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92, &end
#
# 54 LYS H 56 HID HE1 4.49
&rst
ixpk= 0, nxpk= 0, iat= 768, 810, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99, &end
#
# 26 PRO HA 56 HID HE1 5.32
&rst
ixpk= 0, nxpk= 0, iat= 356, 810, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82, &end
#
# 28 PRO HD2 56 HID HE1 6.00
&rst
ixpk= 0, nxpk= 0, iat= 375, 810, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 27 THR HA 56 HID HE1 4.56
&rst
ixpk= 0, nxpk= 0, iat= 362, 810, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06, &end
#
# 41 CYX HB3 54 LYS H 6.00
&rst
ixpk= 0, nxpk= 0, iat= 583, 768, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 27 THR HB 54 LYS H 6.00
&rst
ixpk= 0, nxpk= 0, iat= 364, 768, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 54 LYS HA 56 HID HE1 6.00
&rst
ixpk= 0, nxpk= 0, iat= 770, 810, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 10 CYX HB2 24 GLY H 6.00
&rst
ixpk= 0, nxpk= 0, iat= 134, 322, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 23 PHE H 23 PHE QD 7.91
&rst
ixpk= 0, nxpk= 0, iat= 302, -1, r1= 1.30, r2= 1.80, r3= 8.88, r4= 9.38,
igr2= 310, 318,
&end
#
# 10 CYX H 23 PHE HB2 4.42
&rst
ixpk= 0, nxpk= 0, iat= 130, 306, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92, &end
#
# 37 ASP HB3 55 ALA H 6.00
&rst
ixpk= 0, nxpk= 0, iat= 511, 790, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 54 LYS HG3 55 ALA H 6.00
&rst
ixpk= 0, nxpk= 0, iat= 776, 790, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 27 THR HB 52 CYX H 6.00
&rst
ixpk= 0, nxpk= 0, iat= 364, 734, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 54 LYS HA 54 LYS HG2 4.24
&rst
ixpk= 0, nxpk= 0, iat= 770, 775, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74, &end
#
# 54 LYS HA 54 LYS HG3 4.24
&rst
ixpk= 0, nxpk= 0, iat= 770, 776, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74, &end
#
# 41 CYX HB3 56 HID HA 6.00
&rst
ixpk= 0, nxpk= 0, iat= 583, 802, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 41 CYX HB2 56 HID HA 6.00
&rst
ixpk= 0, nxpk= 0, iat= 582, 802, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 8 VAL HB 23 PHE HA 6.00
&rst
ixpk= 0, nxpk= 0, iat= 99, 304, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 18 ASN HA 19 PRO HD2 2.87
&rst
ixpk= 0, nxpk= 0, iat= 241, 254, r1= 1.30, r2= 1.80, r3= 2.87, r4= 3.37, &end
#
# 18 ASN HA 19 PRO HG2 5.57
&rst
ixpk= 0, nxpk= 0, iat= 241, 257, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07, &end
#
# 18 ASN HA 19 PRO HG3 5.57
&rst
ixpk= 0, nxpk= 0, iat= 241, 258, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07, &end
#
# 25 HID HA 26 PRO HD2 3.48
&rst
ixpk= 0, nxpk= 0, iat= 331, 347, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98, &end
#
# 10 CYX HB3 25 HID HA 6.00
&rst
ixpk= 0, nxpk= 0, iat= 135, 331, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 14 ALA QB 31 GLU H 7.02
&rst
ixpk= 0, nxpk= 0, iat= -1, 412, r1= 1.30, r2= 1.80, r3= 8.43, r4= 8.93,
igr1= 193, 194, 195,
&end
#
# 14 ALA QB 16 CYX H 7.02
&rst
ixpk= 0, nxpk= 0, iat= -1, 218, r1= 1.30, r2= 1.80, r3= 8.43, r4= 8.93,
igr1= 193, 194, 195,
&end
#
# 33 ALA QB 56 HID HE1 7.02
&rst
ixpk= 0, nxpk= 0, iat= -1, 810, r1= 1.30, r2= 1.80, r3= 8.43, r4= 8.93,
igr1= 443, 444, 445,
&end
#
# 27 THR QG2 29 ALA H 5.36
&rst
ixpk= 0, nxpk= 0, iat= -1, 388, r1= 1.30, r2= 1.80, r3= 6.44, r4= 6.94,
igr1= 366, 367, 368,
&end
#
# 5 THR QG2 6 GLY H 7.02
&rst
ixpk= 0, nxpk= 0, iat= -1, 69, r1= 1.30, r2= 1.80, r3= 8.43, r4= 8.93,
igr1= 61, 62, 63,
&end
#
# 45 LEU H 46 THR QG2 7.02
&rst
ixpk= 0, nxpk= 0, iat= 636, -1, r1= 1.30, r2= 1.80, r3= 8.43, r4= 8.93,
igr2= 661, 662, 663,
&end
#
# 46 THR H 46 THR QG2 4.89
&rst
ixpk= 0, nxpk= 0, iat= 655, -1, r1= 1.30, r2= 1.80, r3= 5.87, r4= 6.37,
igr2= 661, 662, 663,
&end
#
# 46 THR QG2 47 CYX H 7.02
&rst
ixpk= 0, nxpk= 0, iat= -1, 669, r1= 1.30, r2= 1.80, r3= 8.43, r4= 8.93,
igr1= 661, 662, 663,
&end
#
# 29 ALA H 29 ALA QB 4.14
&rst
ixpk= 0, nxpk= 0, iat= 388, -1, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47,
igr2= 392, 393, 394,
&end
#
# 29 ALA QB 48 ASP H 7.02
&rst
ixpk= 0, nxpk= 0, iat= -1, 679, r1= 1.30, r2= 1.80, r3= 8.43, r4= 8.93,
igr1= 392, 393, 394,
&end
#
# 29 ALA QB 49 ASN H 5.25
&rst
ixpk= 0, nxpk= 0, iat= -1, 691, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1= 392, 393, 394,
&end
#
# 29 ALA QB 51 GLU H 7.02
&rst
ixpk= 0, nxpk= 0, iat= -1, 719, r1= 1.30, r2= 1.80, r3= 8.43, r4= 8.93,
igr1= 392, 393, 394,
&end
#
# 29 ALA QB 30 ASN H 5.18
&rst
ixpk= 0, nxpk= 0, iat= -1, 398, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
igr1= 392, 393, 394,
&end
#
# 15 LEU H 15 LEU QD2 6.30
&rst
ixpk= 0, nxpk= 0, iat= 199, -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
igr2= 212, 213, 214,
&end
#
# 15 LEU QD2 16 CYX H 7.02
&rst
ixpk= 0, nxpk= 0, iat= -1, 218, r1= 1.30, r2= 1.80, r3= 8.43, r4= 8.93,
igr1= 212, 213, 214,
&end
#
# 59 LEU H 59 LEU QD2 7.02
&rst
ixpk= 0, nxpk= 0, iat= 839, -1, r1= 1.30, r2= 1.80, r3= 8.43, r4= 8.93,
igr2= 852, 853, 854,
&end
#
# 3 VAL H 3 VAL QG1 7.02
&rst
ixpk= 0, nxpk= 0, iat= 22, -1, r1= 1.30, r2= 1.80, r3= 8.43, r4= 8.93,
igr2= 28, 29, 30,
&end
#
# 62 ILE QG2 63 LYS H 5.94
&rst
ixpk= 0, nxpk= 0, iat= -1, 910, r1= 1.30, r2= 1.80, r3= 7.13, r4= 7.63,
igr1= 897, 898, 899,
&end
#
# 45 LEU QD2 57 SER H 7.02
&rst
ixpk= 0, nxpk= 0, iat= -1, 817, r1= 1.30, r2= 1.80, r3= 8.43, r4= 8.93,
igr1= 649, 650, 651,
&end
#
# 45 LEU H 45 LEU QD2 6.48
&rst
ixpk= 0, nxpk= 0, iat= 636, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr2= 649, 650, 651,
&end
#
# 68 ILE H 68 ILE QG2 6.44
&rst
ixpk= 0, nxpk= 0, iat= 999, -1, r1= 1.30, r2= 1.80, r3= 7.73, r4= 8.23,
igr2=1005,1006,1007,
&end
#
# 45 LEU QD2 61 LYS H 7.02
&rst
ixpk= 0, nxpk= 0, iat= -1, 869, r1= 1.30, r2= 1.80, r3= 8.43, r4= 8.93,
igr1= 649, 650, 651,
&end
#
# 15 LEU H 15 LEU QD1 6.30
&rst
ixpk= 0, nxpk= 0, iat= 199, -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
igr2= 208, 209, 210,
&end
#
# 36 ILE H 36 ILE QG2 6.05
&rst
ixpk= 0, nxpk= 0, iat= 487, -1, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
igr2= 493, 494, 495,
&end
#
# 8 VAL QG1 23 PHE QD 9.04
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=12.19, r4=12.69,
igr1= 101, 102, 103,
igr2= 310, 318,
&end
#
# 8 VAL QG1 23 PHE HZ 7.02
&rst
ixpk= 0, nxpk= 0, iat= -1, 314, r1= 1.30, r2= 1.80, r3= 8.43, r4= 8.93,
igr1= 101, 102, 103,
&end
#
# 15 LEU QD1 16 CYX H 7.02
&rst
ixpk= 0, nxpk= 0, iat= -1, 218, r1= 1.30, r2= 1.80, r3= 8.43, r4= 8.93,
igr1= 208, 209, 210,
&end
#
# 45 LEU QD1 57 SER H 7.02
&rst
ixpk= 0, nxpk= 0, iat= -1, 817, r1= 1.30, r2= 1.80, r3= 8.43, r4= 8.93,
igr1= 645, 646, 647,
&end
#
# 35 VAL QG1 54 LYS H 7.02
&rst
ixpk= 0, nxpk= 0, iat= -1, 768, r1= 1.30, r2= 1.80, r3= 8.43, r4= 8.93,
igr1= 477, 478, 479,
&end
#
# 35 VAL QG1 56 HID HE1 7.02
&rst
ixpk= 0, nxpk= 0, iat= -1, 810, r1= 1.30, r2= 1.80, r3= 8.43, r4= 8.93,
igr1= 477, 478, 479,
&end
#
# 45 LEU QD1 61 LYS H 7.02
&rst
ixpk= 0, nxpk= 0, iat= -1, 869, r1= 1.30, r2= 1.80, r3= 8.43, r4= 8.93,
igr1= 645, 646, 647,
&end
#
# 35 VAL QG1 56 HID HD1 7.02
&rst
ixpk= 0, nxpk= 0, iat= -1, 808, r1= 1.30, r2= 1.80, r3= 8.43, r4= 8.93,
igr1= 477, 478, 479,
&end
#
# 25 HID HD1 55 ALA QB 7.02
&rst
ixpk= 0, nxpk= 0, iat= 337, -1, r1= 1.30, r2= 1.80, r3= 8.43, r4= 8.93,
igr2= 794, 795, 796,
&end
#
# 25 HID H 55 ALA QB 5.58
&rst
ixpk= 0, nxpk= 0, iat= 329, -1, r1= 1.30, r2= 1.80, r3= 6.70, r4= 7.20,
igr2= 794, 795, 796,
&end
#
# 55 ALA QB 56 HID H 5.36
&rst
ixpk= 0, nxpk= 0, iat= -1, 800, r1= 1.30, r2= 1.80, r3= 6.44, r4= 6.94,
igr1= 794, 795, 796,
&end
#
# 39 MET H 55 ALA QB 6.19
&rst
ixpk= 0, nxpk= 0, iat= 537, -1, r1= 1.30, r2= 1.80, r3= 7.43, r4= 7.93,
igr2= 794, 795, 796,
&end
#
# 40 TRP H 55 ALA QB 7.02
&rst
ixpk= 0, nxpk= 0, iat= 554, -1, r1= 1.30, r2= 1.80, r3= 8.43, r4= 8.93,
igr2= 794, 795, 796,
&end
#
# 40 TRP HE3 55 ALA QB 5.04
&rst
ixpk= 0, nxpk= 0, iat= 573, -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
igr2= 794, 795, 796,
&end
#
# 8 VAL QG2 23 PHE QE 8.40
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=11.32, r4=11.82,
igr1= 105, 106, 107,
igr2= 312, 316,
&end
#
# 8 VAL QG2 23 PHE HZ 7.02
&rst
ixpk= 0, nxpk= 0, iat= -1, 314, r1= 1.30, r2= 1.80, r3= 8.43, r4= 8.93,
igr1= 105, 106, 107,
&end
#
# 35 VAL QG2 56 HID HD1 7.02
&rst
ixpk= 0, nxpk= 0, iat= -1, 808, r1= 1.30, r2= 1.80, r3= 8.43, r4= 8.93,
igr1= 481, 482, 483,
&end
#
# 35 VAL QG2 54 LYS H 7.02
&rst
ixpk= 0, nxpk= 0, iat= -1, 768, r1= 1.30, r2= 1.80, r3= 8.43, r4= 8.93,
igr1= 481, 482, 483,
&end
#
# 35 VAL QG2 36 ILE H 6.08
&rst
ixpk= 0, nxpk= 0, iat= -1, 487, r1= 1.30, r2= 1.80, r3= 7.30, r4= 7.80,
igr1= 481, 482, 483,
&end
#
# 7 ILE QG2 23 PHE QD 9.15
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=12.33, r4=12.83,
igr1= 82, 83, 84,
igr2= 310, 318,
&end
#
# 7 ILE QG2 40 TRP HZ2 5.54
&rst
ixpk= 0, nxpk= 0, iat= -1, 567, r1= 1.30, r2= 1.80, r3= 6.65, r4= 7.15,
igr1= 82, 83, 84,
&end
#
# 7 ILE QG2 40 TRP HE3 7.02
&rst
ixpk= 0, nxpk= 0, iat= -1, 573, r1= 1.30, r2= 1.80, r3= 8.43, r4= 8.93,
igr1= 82, 83, 84,
&end
#
# 7 ILE QD1 40 TRP HE1 5.83
&rst
ixpk= 0, nxpk= 0, iat= -1, 564, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,
igr1= 89, 90, 91,
&end
#
# 7 ILE QD1 40 TRP H 5.40
&rst
ixpk= 0, nxpk= 0, iat= -1, 554, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
igr1= 89, 90, 91,
&end
#
# 7 ILE QD1 40 TRP HZ2 6.44
&rst
ixpk= 0, nxpk= 0, iat= -1, 567, r1= 1.30, r2= 1.80, r3= 7.73, r4= 8.23,
igr1= 89, 90, 91,
&end
#
# 7 ILE QD1 40 TRP HZ3 7.02
&rst
ixpk= 0, nxpk= 0, iat= -1, 571, r1= 1.30, r2= 1.80, r3= 8.43, r4= 8.93,
igr1= 89, 90, 91,
&end
#
# 27 THR HG1 29 ALA QB 5.07
&rst
ixpk= 0, nxpk= 0, iat= 370, -1, r1= 1.30, r2= 1.80, r3= 6.09, r4= 6.59,
igr2= 392, 393, 394,
&end
#
# 29 ALA QB 49 ASN HA 6.19
&rst
ixpk= 0, nxpk= 0, iat= -1, 693, r1= 1.30, r2= 1.80, r3= 7.43, r4= 7.93,
igr1= 392, 393, 394,
&end
#
# 7 ILE QG2 40 TRP HE1 7.02
&rst
ixpk= 0, nxpk= 0, iat= -1, 564, r1= 1.30, r2= 1.80, r3= 8.43, r4= 8.93,
igr1= 82, 83, 84,
&end
#
# 14 ALA H 14 ALA QB 4.14
&rst
ixpk= 0, nxpk= 0, iat= 189, -1, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47,
igr2= 193, 194, 195,
&end
#
# 25 HID H 35 VAL QG2 7.02
&rst
ixpk= 0, nxpk= 0, iat= 329, -1, r1= 1.30, r2= 1.80, r3= 8.43, r4= 8.93,
igr2= 481, 482, 483,
&end
#
# 25 HID H 35 VAL QG1 7.02
&rst
ixpk= 0, nxpk= 0, iat= 329, -1, r1= 1.30, r2= 1.80, r3= 8.43, r4= 8.93,
igr2= 477, 478, 479,
&end
#
# 35 VAL QG2 56 HID H 7.02
&rst
ixpk= 0, nxpk= 0, iat= -1, 800, r1= 1.30, r2= 1.80, r3= 8.43, r4= 8.93,
igr1= 481, 482, 483,
&end
#
# 35 VAL QG1 56 HID H 7.02
&rst
ixpk= 0, nxpk= 0, iat= -1, 800, r1= 1.30, r2= 1.80, r3= 8.43, r4= 8.93,
igr1= 477, 478, 479,
&end
#
# 59 LEU H 59 LEU QD1 7.02
&rst
ixpk= 0, nxpk= 0, iat= 839, -1, r1= 1.30, r2= 1.80, r3= 8.43, r4= 8.93,
igr2= 848, 849, 850,
&end
#
# 38 LEU QD1 39 MET H 6.59
&rst
ixpk= 0, nxpk= 0, iat= -1, 537, r1= 1.30, r2= 1.80, r3= 7.91, r4= 8.41,
igr1= 527, 528, 529,
&end
#
# 38 LEU QD2 39 MET H 6.59
&rst
ixpk= 0, nxpk= 0, iat= -1, 537, r1= 1.30, r2= 1.80, r3= 7.91, r4= 8.41,
igr1= 531, 532, 533,
&end
#
# 45 LEU H 45 LEU QD1 6.48
&rst
ixpk= 0, nxpk= 0, iat= 636, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr2= 645, 646, 647,
&end
#
# 3 VAL H 3 VAL QG2 7.02
&rst
ixpk= 0, nxpk= 0, iat= 22, -1, r1= 1.30, r2= 1.80, r3= 8.43, r4= 8.93,
igr2= 32, 33, 34,
&end
#
# 38 LEU H 38 LEU QD1 6.05
&rst
ixpk= 0, nxpk= 0, iat= 518, -1, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
igr2= 527, 528, 529,
&end
#
# 14 ALA QB 15 LEU H 5.25
&rst
ixpk= 0, nxpk= 0, iat= -1, 199, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1= 193, 194, 195,
&end
#
# 5 THR QG2 8 VAL H 7.02
&rst
ixpk= 0, nxpk= 0, iat= -1, 95, r1= 1.30, r2= 1.80, r3= 8.43, r4= 8.93,
igr1= 61, 62, 63,
&end
#
# 7 ILE QG2 8 VAL H 5.04
&rst
ixpk= 0, nxpk= 0, iat= -1, 95, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
igr1= 82, 83, 84,
&end
#
# 35 VAL QG1 36 ILE H 6.08
&rst
ixpk= 0, nxpk= 0, iat= -1, 487, r1= 1.30, r2= 1.80, r3= 7.30, r4= 7.80,
igr1= 477, 478, 479,
&end
#
# 33 ALA QB 34 LYS H 4.86
&rst
ixpk= 0, nxpk= 0, iat= -1, 449, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
igr1= 443, 444, 445,
&end
#
# 27 THR H 33 ALA QB 5.29
&rst
ixpk= 0, nxpk= 0, iat= 360, -1, r1= 1.30, r2= 1.80, r3= 6.35, r4= 6.85,
igr2= 443, 444, 445,
&end
#
# 27 THR H 27 THR QG2 4.28
&rst
ixpk= 0, nxpk= 0, iat= 360, -1, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
igr2= 366, 367, 368,
&end
#
# 62 ILE H 62 ILE QD1 6.62
&rst
ixpk= 0, nxpk= 0, iat= 891, -1, r1= 1.30, r2= 1.80, r3= 7.95, r4= 8.45,
igr2= 904, 905, 906,
&end
#
# 62 ILE H 62 ILE QG2 5.22
&rst
ixpk= 0, nxpk= 0, iat= 891, -1, r1= 1.30, r2= 1.80, r3= 6.27, r4= 6.77,
igr2= 897, 898, 899,
&end
#
# 7 ILE H 7 ILE QG2 6.26
&rst
ixpk= 0, nxpk= 0, iat= 76, -1, r1= 1.30, r2= 1.80, r3= 7.52, r4= 8.02,
igr2= 82, 83, 84,
&end
#
# 27 THR QG2 52 CYX H 5.58
&rst
ixpk= 0, nxpk= 0, iat= -1, 734, r1= 1.30, r2= 1.80, r3= 6.70, r4= 7.20,
igr1= 366, 367, 368,
&end
#
# 33 ALA H 33 ALA QB 4.10
&rst
ixpk= 0, nxpk= 0, iat= 439, -1, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,
igr2= 443, 444, 445,
&end
#
# 27 THR QG2 33 ALA H 6.48
&rst
ixpk= 0, nxpk= 0, iat= -1, 439, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1= 366, 367, 368,
&end
#
# 59 LEU QD2 60 SER H 7.02
&rst
ixpk= 0, nxpk= 0, iat= -1, 858, r1= 1.30, r2= 1.80, r3= 8.43, r4= 8.93,
igr1= 852, 853, 854,
&end
#
# 59 LEU QD1 60 SER H 7.02
&rst
ixpk= 0, nxpk= 0, iat= -1, 858, r1= 1.30, r2= 1.80, r3= 8.43, r4= 8.93,
igr1= 848, 849, 850,
&end
#
# 8 VAL QG2 23 PHE QD 9.04
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=12.19, r4=12.69,
igr1= 105, 106, 107,
igr2= 310, 318,
&end
#
# 27 THR QG2 30 ASN H 4.46
&rst
ixpk= 0, nxpk= 0, iat= -1, 398, r1= 1.30, r2= 1.80, r3= 5.36, r4= 5.86,
igr1= 366, 367, 368,
&end
#
# 27 THR QG2 30 ASN HA 6.01
&rst
ixpk= 0, nxpk= 0, iat= -1, 400, r1= 1.30, r2= 1.80, r3= 7.22, r4= 7.72,
igr1= 366, 367, 368,
&end
#
# 29 ALA QB 48 ASP HA 4.39
&rst
ixpk= 0, nxpk= 0, iat= -1, 681, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77,
igr1= 392, 393, 394,
&end
#
# 24 GLY HA2 35 VAL QG1 7.02
&rst
ixpk= 0, nxpk= 0, iat= 324, -1, r1= 1.30, r2= 1.80, r3= 8.43, r4= 8.93,
igr2= 477, 478, 479,
&end
#
# 15 LEU HA 15 LEU QD2 5.65
&rst
ixpk= 0, nxpk= 0, iat= 201, -1, r1= 1.30, r2= 1.80, r3= 6.79, r4= 7.29,
igr2= 212, 213, 214,
&end
#
# 15 LEU HA 15 LEU QD1 5.65
&rst
ixpk= 0, nxpk= 0, iat= 201, -1, r1= 1.30, r2= 1.80, r3= 6.79, r4= 7.29,
igr2= 208, 209, 210,
&end
#
# 39 MET HA 39 MET QE 5.90
&rst
ixpk= 0, nxpk= 0, iat= 539, -1, r1= 1.30, r2= 1.80, r3= 7.09, r4= 7.59,
igr2= 548, 549, 550,
&end
#
# 28 PRO HA 62 ILE QD1 5.08
&rst
ixpk= 0, nxpk= 0, iat= 384, -1, r1= 1.30, r2= 1.80, r3= 6.10, r4= 6.60,
igr2= 904, 905, 906,
&end
#
# 14 ALA QB 31 GLU HA 4.75
&rst
ixpk= 0, nxpk= 0, iat= -1, 414, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,
igr1= 193, 194, 195,
&end
#
# 36 ILE HA 36 ILE QD1 5.58
&rst
ixpk= 0, nxpk= 0, iat= 489, -1, r1= 1.30, r2= 1.80, r3= 6.70, r4= 7.20,
igr2= 500, 501, 502,
&end
#
# 59 LEU HA 59 LEU QD1 4.86
&rst
ixpk= 0, nxpk= 0, iat= 841, -1, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
igr2= 848, 849, 850,
&end
#
# 59 LEU HA 59 LEU QD2 4.86
&rst
ixpk= 0, nxpk= 0, iat= 841, -1, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
igr2= 852, 853, 854,
&end
#
# 38 LEU HA 55 ALA QB 6.41
&rst
ixpk= 0, nxpk= 0, iat= 520, -1, r1= 1.30, r2= 1.80, r3= 7.70, r4= 8.20,
igr2= 794, 795, 796,
&end
#
# 45 LEU QD2 57 SER HB3 5.58
&rst
ixpk= 0, nxpk= 0, iat= -1, 822, r1= 1.30, r2= 1.80, r3= 6.70, r4= 7.20,
igr1= 649, 650, 651,
&end
#
# 45 LEU QD1 57 SER HB3 5.58
&rst
ixpk= 0, nxpk= 0, iat= -1, 822, r1= 1.30, r2= 1.80, r3= 6.70, r4= 7.20,
igr1= 645, 646, 647,
&end
#
# 27 THR QG2 47 CYX HB3 5.25
&rst
ixpk= 0, nxpk= 0, iat= -1, 674, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1= 366, 367, 368,
&end
#
# 30 ASN HB2 33 ALA QB 5.29
&rst
ixpk= 0, nxpk= 0, iat= 402, -1, r1= 1.30, r2= 1.80, r3= 6.35, r4= 6.85,
igr2= 443, 444, 445,
&end
#
# 9 LEU QD1 24 GLY HA3 7.02
&rst
ixpk= 0, nxpk= 0, iat= -1, 325, r1= 1.30, r2= 1.80, r3= 8.43, r4= 8.93,
igr1= 120, 121, 122,
&end
#
# 28 PRO HG3 62 ILE QD1 5.83
&rst
ixpk= 0, nxpk= 0, iat= 379, -1, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,
igr2= 904, 905, 906,
&end
#
# 54 LYS HB2 55 ALA QB 6.33
&rst
ixpk= 0, nxpk= 0, iat= 772, -1, r1= 1.30, r2= 1.80, r3= 7.60, r4= 8.10,
igr2= 794, 795, 796,
&end
#
# 26 PRO HB3 33 ALA QB 4.97
&rst
ixpk= 0, nxpk= 0, iat= 354, -1, r1= 1.30, r2= 1.80, r3= 5.97, r4= 6.47,
igr2= 443, 444, 445,
&end
#
# 28 PRO HB3 62 ILE QD1 5.08
&rst
ixpk= 0, nxpk= 0, iat= 382, -1, r1= 1.30, r2= 1.80, r3= 6.10, r4= 6.60,
igr2= 904, 905, 906,
&end
#
# 9 LEU QD2 35 VAL HB 4.64
&rst
ixpk= 0, nxpk= 0, iat= -1, 475, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07,
igr1= 124, 125, 126,
&end
#
# 26 PRO HB2 33 ALA QB 4.97
&rst
ixpk= 0, nxpk= 0, iat= 353, -1, r1= 1.30, r2= 1.80, r3= 5.97, r4= 6.47,
igr2= 443, 444, 445,
&end
#
# 30 ASN HB3 33 ALA QB 5.29
&rst
ixpk= 0, nxpk= 0, iat= 403, -1, r1= 1.30, r2= 1.80, r3= 6.35, r4= 6.85,
igr2= 443, 444, 445,
&end
#
# 27 THR QG2 33 ALA QB 5.91
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.52, r4= 9.02,
igr1= 366, 367, 368,
igr2= 443, 444, 445,
&end
#
# 54 LYS HB3 55 ALA QB 6.33
&rst
ixpk= 0, nxpk= 0, iat= 773, -1, r1= 1.30, r2= 1.80, r3= 7.60, r4= 8.10,
igr2= 794, 795, 796,
&end
#
# 27 THR QG2 50 PRO HA 5.07
&rst
ixpk= 0, nxpk= 0, iat= -1, 715, r1= 1.30, r2= 1.80, r3= 6.09, r4= 6.59,
igr1= 366, 367, 368,
&end
#
# 5 THR QG2 8 VAL HA 6.01
&rst
ixpk= 0, nxpk= 0, iat= -1, 97, r1= 1.30, r2= 1.80, r3= 7.22, r4= 7.72,
igr1= 61, 62, 63,
&end
#
# 27 THR QG2 29 ALA QB 6.92
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.98, r4=10.48,
igr1= 366, 367, 368,
igr2= 392, 393, 394,
&end
#
# 29 ALA QB 50 PRO HA 4.32
&rst
ixpk= 0, nxpk= 0, iat= -1, 715, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,
igr1= 392, 393, 394,
&end
#
# 7 ILE HB 55 ALA QB 5.18
&rst
ixpk= 0, nxpk= 0, iat= 80, -1, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
igr2= 794, 795, 796,
&end
#
# 7 ILE QG2 38 LEU QD2 8.04
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=11.60, r4=12.10,
igr1= 82, 83, 84,
igr2= 531, 532, 533,
&end
#
# 9 LEU QD2 35 VAL QG2 6.31
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.10, r4= 9.60,
igr1= 124, 125, 126,
igr2= 481, 482, 483,
&end
#
# 24 GLY HA3 55 ALA QB 4.86
&rst
ixpk= 0, nxpk= 0, iat= 325, -1, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
igr2= 794, 795, 796,
&end
#
# 9 LEU QD1 35 VAL QG1 6.31
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.10, r4= 9.60,
igr1= 120, 121, 122,
igr2= 477, 478, 479,
&end
#
# 9 LEU QD1 35 VAL QG2 6.31
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.10, r4= 9.60,
igr1= 120, 121, 122,
igr2= 481, 482, 483,
&end
#
# 8 VAL HA 8 VAL QG2 3.99
&rst
ixpk= 0, nxpk= 0, iat= 97, -1, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,
igr2= 105, 106, 107,
&end
#
# 7 ILE QG2 9 LEU QD1 7.64
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=11.02, r4=11.52,
igr1= 82, 83, 84,
igr2= 120, 121, 122,
&end
#
# 7 ILE QG2 38 LEU QD1 8.04
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=11.60, r4=12.10,
igr1= 82, 83, 84,
igr2= 527, 528, 529,
&end
#
# 7 ILE QG2 7 ILE QD1 6.10
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.80, r4= 9.30,
igr1= 82, 83, 84,
igr2= 89, 90, 91,
&end
#
# 7 ILE QD1 39 MET HA 4.72
&rst
ixpk= 0, nxpk= 0, iat= -1, 539, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 89, 90, 91,
&end
#
# 24 GLY HA2 55 ALA QB 5.11
&rst
ixpk= 0, nxpk= 0, iat= 324, -1, r1= 1.30, r2= 1.80, r3= 6.14, r4= 6.64,
igr2= 794, 795, 796,
&end
#
# 29 ALA QB 47 CYX HB3 7.02
&rst
ixpk= 0, nxpk= 0, iat= -1, 674, r1= 1.30, r2= 1.80, r3= 8.43, r4= 8.93,
igr1= 392, 393, 394,
&end
#
# 7 ILE QG2 8 VAL HB 7.02
&rst
ixpk= 0, nxpk= 0, iat= -1, 99, r1= 1.30, r2= 1.80, r3= 8.43, r4= 8.93,
igr1= 82, 83, 84,
&end
#
# 7 ILE QG2 55 ALA HA 7.02
&rst
ixpk= 0, nxpk= 0, iat= -1, 792, r1= 1.30, r2= 1.80, r3= 8.43, r4= 8.93,
igr1= 82, 83, 84,
&end
#
# 7 ILE QD1 40 TRP HA 6.70
&rst
ixpk= 0, nxpk= 0, iat= -1, 556, r1= 1.30, r2= 1.80, r3= 8.05, r4= 8.55,
igr1= 89, 90, 91,
&end
#
# 45 LEU QD1 57 SER HB2 5.58
&rst
ixpk= 0, nxpk= 0, iat= -1, 821, r1= 1.30, r2= 1.80, r3= 6.70, r4= 7.20,
igr1= 645, 646, 647,
&end
#
# 45 LEU QD2 57 SER HB2 5.58
&rst
ixpk= 0, nxpk= 0, iat= -1, 821, r1= 1.30, r2= 1.80, r3= 6.70, r4= 7.20,
igr1= 649, 650, 651,
&end
#
# 9 LEU QD2 24 GLY HA3 7.02
&rst
ixpk= 0, nxpk= 0, iat= -1, 325, r1= 1.30, r2= 1.80, r3= 8.43, r4= 8.93,
igr1= 124, 125, 126,
&end
#
# 7 ILE QD1 39 MET H 6.23
&rst
ixpk= 0, nxpk= 0, iat= -1, 537, r1= 1.30, r2= 1.80, r3= 7.48, r4= 7.98,
igr1= 89, 90, 91,
&end
#
# 7 ILE QD1 55 ALA H 7.02
&rst
ixpk= 0, nxpk= 0, iat= -1, 790, r1= 1.30, r2= 1.80, r3= 8.43, r4= 8.93,
igr1= 89, 90, 91,
&end
#
# 7 ILE H 7 ILE QD1 6.44
&rst
ixpk= 0, nxpk= 0, iat= 76, -1, r1= 1.30, r2= 1.80, r3= 7.73, r4= 8.23,
igr2= 89, 90, 91,
&end
#
# 30 ASN H 33 ALA QB 6.30
&rst
ixpk= 0, nxpk= 0, iat= 398, -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
igr2= 443, 444, 445,
&end
#
# 27 THR QG2 51 GLU H 7.02
&rst
ixpk= 0, nxpk= 0, iat= -1, 719, r1= 1.30, r2= 1.80, r3= 8.43, r4= 8.93,
igr1= 366, 367, 368,
&end
#
# 28 PRO HB2 62 ILE QD1 5.08
&rst
ixpk= 0, nxpk= 0, iat= 381, -1, r1= 1.30, r2= 1.80, r3= 6.10, r4= 6.60,
igr2= 904, 905, 906,
&end
#
# 38 LEU H 38 LEU QD2 6.05
&rst
ixpk= 0, nxpk= 0, iat= 518, -1, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
igr2= 531, 532, 533,
&end
#
# 7 ILE QG2 9 LEU H 7.02
&rst
ixpk= 0, nxpk= 0, iat= -1, 111, r1= 1.30, r2= 1.80, r3= 8.43, r4= 8.93,
igr1= 82, 83, 84,
&end
#
# 26 PRO HA 33 ALA QB 6.30
&rst
ixpk= 0, nxpk= 0, iat= 356, -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
igr2= 443, 444, 445,
&end
#
# 27 THR QG2 56 HID HD1 7.02
&rst
ixpk= 0, nxpk= 0, iat= -1, 808, r1= 1.30, r2= 1.80, r3= 8.43, r4= 8.93,
igr1= 366, 367, 368,
&end
#
# 7 ILE QG2 40 TRP HH2 5.87
&rst
ixpk= 0, nxpk= 0, iat= -1, 569, r1= 1.30, r2= 1.80, r3= 7.05, r4= 7.55,
igr1= 82, 83, 84,
&end
#
# 7 ILE QG2 40 TRP HZ3 6.91
&rst
ixpk= 0, nxpk= 0, iat= -1, 571, r1= 1.30, r2= 1.80, r3= 8.30, r4= 8.80,
igr1= 82, 83, 84,
&end
#
# 7 ILE QD1 40 TRP HH2 7.02
&rst
ixpk= 0, nxpk= 0, iat= -1, 569, r1= 1.30, r2= 1.80, r3= 8.43, r4= 8.93,
igr1= 89, 90, 91,
&end
#
# 8 VAL QG1 23 PHE QE 8.40
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=11.32, r4=11.82,
igr1= 101, 102, 103,
igr2= 312, 316,
&end
#
# 7 ILE QD1 40 TRP HD1 5.36
&rst
ixpk= 0, nxpk= 0, iat= -1, 562, r1= 1.30, r2= 1.80, r3= 6.44, r4= 6.94,
igr1= 89, 90, 91,
&end
#
# 7 ILE QD1 40 TRP HE3 6.80
&rst
ixpk= 0, nxpk= 0, iat= -1, 573, r1= 1.30, r2= 1.80, r3= 8.17, r4= 8.67,
igr1= 89, 90, 91,
&end
#
# 40 TRP HZ3 55 ALA QB 5.00
&rst
ixpk= 0, nxpk= 0, iat= 571, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr2= 794, 795, 796,
&end
#
# 40 TRP HH2 55 ALA QB 7.02
&rst
ixpk= 0, nxpk= 0, iat= 569, -1, r1= 1.30, r2= 1.80, r3= 8.43, r4= 8.93,
igr2= 794, 795, 796,
&end
#
# 27 THR QG2 56 HID HE1 5.87
&rst
ixpk= 0, nxpk= 0, iat= -1, 810, r1= 1.30, r2= 1.80, r3= 7.05, r4= 7.55,
igr1= 366, 367, 368,
&end
#
# 35 VAL QG2 56 HID HE1 7.02
&rst
ixpk= 0, nxpk= 0, iat= -1, 810, r1= 1.30, r2= 1.80, r3= 8.43, r4= 8.93,
igr1= 481, 482, 483,
&end
#
# 41 CYX H 55 ALA QB 6.48
&rst
ixpk= 0, nxpk= 0, iat= 578, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr2= 794, 795, 796,
&end
#
# 24 GLY H 55 ALA QB 7.02
&rst
ixpk= 0, nxpk= 0, iat= 322, -1, r1= 1.30, r2= 1.80, r3= 8.43, r4= 8.93,
igr2= 794, 795, 796,
&end
#
# 7 ILE QG2 24 GLY H 5.69
&rst
ixpk= 0, nxpk= 0, iat= -1, 322, r1= 1.30, r2= 1.80, r3= 6.83, r4= 7.33,
igr1= 82, 83, 84,
&end
#
# 7 ILE QG2 10 CYX H 7.02
&rst
ixpk= 0, nxpk= 0, iat= -1, 130, r1= 1.30, r2= 1.80, r3= 8.43, r4= 8.93,
igr1= 82, 83, 84,
&end
#
# 29 ALA QB 52 CYX H 7.02
&rst
ixpk= 0, nxpk= 0, iat= -1, 734, r1= 1.30, r2= 1.80, r3= 8.43, r4= 8.93,
igr1= 392, 393, 394,
&end
#
# 33 ALA QB 52 CYX H 7.02
&rst
ixpk= 0, nxpk= 0, iat= -1, 734, r1= 1.30, r2= 1.80, r3= 8.43, r4= 8.93,
igr1= 443, 444, 445,
&end
#
# 54 LYS HA 55 ALA QB 7.02
&rst
ixpk= 0, nxpk= 0, iat= 770, -1, r1= 1.30, r2= 1.80, r3= 8.43, r4= 8.93,
igr2= 794, 795, 796,
&end
#
# 45 LEU QD2 57 SER HA 7.02
&rst
ixpk= 0, nxpk= 0, iat= -1, 819, r1= 1.30, r2= 1.80, r3= 8.43, r4= 8.93,
igr1= 649, 650, 651,
&end
#
# 55 ALA QB 56 HID HA 7.02
&rst
ixpk= 0, nxpk= 0, iat= -1, 802, r1= 1.30, r2= 1.80, r3= 8.43, r4= 8.93,
igr1= 794, 795, 796,
&end
#
# 8 VAL QG1 23 PHE HA 7.02
&rst
ixpk= 0, nxpk= 0, iat= -1, 304, r1= 1.30, r2= 1.80, r3= 8.43, r4= 8.93,
igr1= 101, 102, 103,
&end
#
# 8 VAL QG2 23 PHE HA 7.02
&rst
ixpk= 0, nxpk= 0, iat= -1, 304, r1= 1.30, r2= 1.80, r3= 8.43, r4= 8.93,
igr1= 105, 106, 107,
&end
#
# 7 ILE QG2 23 PHE HA 6.66
&rst
ixpk= 0, nxpk= 0, iat= -1, 304, r1= 1.30, r2= 1.80, r3= 8.00, r4= 8.50,
igr1= 82, 83, 84,
&end
#
# 33 ALA QB 53 ARG HA 6.73
&rst
ixpk= 0, nxpk= 0, iat= -1, 746, r1= 1.30, r2= 1.80, r3= 8.08, r4= 8.58,
igr1= 443, 444, 445,
&end
#
# 35 VAL QG1 53 ARG HA 7.02
&rst
ixpk= 0, nxpk= 0, iat= -1, 746, r1= 1.30, r2= 1.80, r3= 8.43, r4= 8.93,
igr1= 477, 478, 479,
&end
#
# 35 VAL QG2 53 ARG HA 7.02
&rst
ixpk= 0, nxpk= 0, iat= -1, 746, r1= 1.30, r2= 1.80, r3= 8.43, r4= 8.93,
igr1= 481, 482, 483,
&end
#
# 7 ILE QG2 55 ALA QB 6.27
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.04, r4= 9.54,
igr1= 82, 83, 84,
igr2= 794, 795, 796,
&end
#
# 7 ILE QG2 9 LEU QD2 7.64
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=11.02, r4=11.52,
igr1= 82, 83, 84,
igr2= 124, 125, 126,
&end
#
# 7 ILE QG2 24 GLY HA3 4.86
&rst
ixpk= 0, nxpk= 0, iat= -1, 325, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
igr1= 82, 83, 84,
&end
#
# 7 ILE QG2 38 LEU HA 6.08
&rst
ixpk= 0, nxpk= 0, iat= -1, 520, r1= 1.30, r2= 1.80, r3= 7.30, r4= 7.80,
igr1= 82, 83, 84,
&end
#
# 7 ILE HA 7 ILE QG2 4.21
&rst
ixpk= 0, nxpk= 0, iat= 78, -1, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,
igr2= 82, 83, 84,
&end
#
# 7 ILE QG2 9 LEU HA 5.79
&rst
ixpk= 0, nxpk= 0, iat= -1, 113, r1= 1.30, r2= 1.80, r3= 6.95, r4= 7.45,
igr1= 82, 83, 84,
&end
#
# 7 ILE QG2 24 GLY HA2 5.54
&rst
ixpk= 0, nxpk= 0, iat= -1, 324, r1= 1.30, r2= 1.80, r3= 6.65, r4= 7.15,
igr1= 82, 83, 84,
&end
#
# 7 ILE QD1 55 ALA QB 6.46
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.32, r4= 9.82,
igr1= 89, 90, 91,
igr2= 794, 795, 796,
&end
#
# 7 ILE QD1 24 GLY HA3 7.02
&rst
ixpk= 0, nxpk= 0, iat= -1, 325, r1= 1.30, r2= 1.80, r3= 8.43, r4= 8.93,
igr1= 89, 90, 91,
&end
#
# 7 ILE QD1 38 LEU HA 5.65
&rst
ixpk= 0, nxpk= 0, iat= -1, 520, r1= 1.30, r2= 1.80, r3= 6.79, r4= 7.29,
igr1= 89, 90, 91,
&end
#
# 7 ILE HA 7 ILE QD1 6.12
&rst
ixpk= 0, nxpk= 0, iat= 78, -1, r1= 1.30, r2= 1.80, r3= 7.35, r4= 7.85,
igr2= 89, 90, 91,
&end
#
# 24 GLY HA2 35 VAL QG2 7.02
&rst
ixpk= 0, nxpk= 0, iat= 324, -1, r1= 1.30, r2= 1.80, r3= 8.43, r4= 8.93,
igr2= 481, 482, 483,
&end
#
# 8 VAL HA 8 VAL QG1 3.99
&rst
ixpk= 0, nxpk= 0, iat= 97, -1, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,
igr2= 101, 102, 103,
&end
#
# 9 LEU QD2 35 VAL QG1 6.31
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.10, r4= 9.60,
igr1= 124, 125, 126,
igr2= 477, 478, 479,
&end
#
# 9 LEU QD1 35 VAL HB 4.64
&rst
ixpk= 0, nxpk= 0, iat= -1, 475, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07,
igr1= 120, 121, 122,
&end
#
# 45 LEU QD1 57 SER HA 7.02
&rst
ixpk= 0, nxpk= 0, iat= -1, 819, r1= 1.30, r2= 1.80, r3= 8.43, r4= 8.93,
igr1= 645, 646, 647,
&end
#
# 3 VAL QQG 4 GLN H 6.90
&rst
ixpk= 0, nxpk= 0, iat= -1, 38, r1= 1.30, r2= 1.80, r3= 9.30, r4= 9.80,
igr1= 28, 29, 30, 32, 33, 34,
&end
#
# 4 GLN H 4 GLN QG 5.81
&rst
ixpk= 0, nxpk= 0, iat= 38, -1, r1= 1.30, r2= 1.80, r3= 6.52, r4= 7.02,
igr2= 45, 46,
&end
#
# 5 THR QG2 8 VAL QQG 6.63
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.73, r4=11.23,
igr1= 61, 62, 63,
igr2= 101, 102, 103, 105, 106, 107,
&end
#
# 6 GLY QA 7 ILE H 2.91
&rst
ixpk= 0, nxpk= 0, iat= -1, 76, r1= 1.30, r2= 1.80, r3= 3.27, r4= 3.77,
igr1= 71, 72,
&end
#
# 7 ILE H 7 ILE QG1 3.51
&rst
ixpk= 0, nxpk= 0, iat= 76, -1, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44,
igr2= 86, 87,
&end
#
# 7 ILE H 38 LEU QQD 6.90
&rst
ixpk= 0, nxpk= 0, iat= 76, -1, r1= 1.30, r2= 1.80, r3= 9.30, r4= 9.80,
igr2= 527, 528, 529, 531, 532, 533,
&end
#
# 7 ILE HA 7 ILE QG1 3.55
&rst
ixpk= 0, nxpk= 0, iat= 78, -1, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48,
igr2= 86, 87,
&end
#
# 7 ILE HA 8 VAL QQG 5.72
&rst
ixpk= 0, nxpk= 0, iat= 78, -1, r1= 1.30, r2= 1.80, r3= 7.71, r4= 8.21,
igr2= 101, 102, 103, 105, 106, 107,
&end
#
# 7 ILE HB 9 LEU QQD 5.83
&rst
ixpk= 0, nxpk= 0, iat= 80, -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr2= 120, 121, 122, 124, 125, 126,
&end
#
# 7 ILE HB 38 LEU QQD 4.99
&rst
ixpk= 0, nxpk= 0, iat= 80, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 527, 528, 529, 531, 532, 533,
&end
#
# 7 ILE QG2 9 LEU QQD 6.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.52, r4=11.02,
igr1= 82, 83, 84,
igr2= 120, 121, 122, 124, 125, 126,
&end
#
# 7 ILE QG2 35 VAL QQG 7.86
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=12.72, r4=13.22,
igr1= 82, 83, 84,
igr2= 477, 478, 479, 481, 482, 483,
&end
#
# 7 ILE QG2 38 LEU QQD 6.70
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.85, r4=11.35,
igr1= 82, 83, 84,
igr2= 527, 528, 529, 531, 532, 533,
&end
#
# 7 ILE QG1 39 MET HA 5.81
&rst
ixpk= 0, nxpk= 0, iat= -1, 539, r1= 1.30, r2= 1.80, r3= 6.52, r4= 7.02,
igr1= 86, 87,
&end
#
# 7 ILE QG1 40 TRP HE1 4.66
&rst
ixpk= 0, nxpk= 0, iat= -1, 564, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73,
igr1= 86, 87,
&end
#
# 7 ILE QG1 40 TRP HZ2 3.94
&rst
ixpk= 0, nxpk= 0, iat= -1, 567, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92,
igr1= 86, 87,
&end
#
# 7 ILE QG1 40 TRP HH2 5.81
&rst
ixpk= 0, nxpk= 0, iat= -1, 569, r1= 1.30, r2= 1.80, r3= 6.52, r4= 7.02,
igr1= 86, 87,
&end
#
# 7 ILE QD1 9 LEU QQD 7.86
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=12.72, r4=13.22,
igr1= 89, 90, 91,
igr2= 120, 121, 122, 124, 125, 126,
&end
#
# 7 ILE QD1 39 MET QB 6.75
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.10, r4= 9.60,
igr1= 89, 90, 91,
igr2= 541, 542,
&end
#
# 8 VAL QQG 9 LEU H 4.53
&rst
ixpk= 0, nxpk= 0, iat= -1, 111, r1= 1.30, r2= 1.80, r3= 6.11, r4= 6.61,
igr1= 101, 102, 103, 105, 106, 107,
&end
#
# 8 VAL QQG 10 CYX H 6.90
&rst
ixpk= 0, nxpk= 0, iat= -1, 130, r1= 1.30, r2= 1.80, r3= 9.30, r4= 9.80,
igr1= 101, 102, 103, 105, 106, 107,
&end
#
# 8 VAL QQG 23 PHE QB 6.05
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.15, r4= 9.65,
igr1= 101, 102, 103, 105, 106, 107,
igr2= 306, 307,
&end
#
# 8 VAL QQG 23 PHE QD 7.58
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=11.47, r4=11.97,
igr1= 101, 102, 103, 105, 106, 107,
igr2= 310, 318,
&end
#
# 8 VAL QQG 23 PHE QE 7.34
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=11.11, r4=11.61,
igr1= 101, 102, 103, 105, 106, 107,
igr2= 312, 316,
&end
#
# 8 VAL QQG 23 PHE HZ 6.02
&rst
ixpk= 0, nxpk= 0, iat= -1, 314, r1= 1.30, r2= 1.80, r3= 8.11, r4= 8.61,
igr1= 101, 102, 103, 105, 106, 107,
&end
#
# 9 LEU H 9 LEU QB 2.77
&rst
ixpk= 0, nxpk= 0, iat= 111, -1, r1= 1.30, r2= 1.80, r3= 3.11, r4= 3.61,
igr2= 115, 116,
&end
#
# 9 LEU H 9 LEU QQD 6.04
&rst
ixpk= 0, nxpk= 0, iat= 111, -1, r1= 1.30, r2= 1.80, r3= 8.14, r4= 8.64,
igr2= 120, 121, 122, 124, 125, 126,
&end
#
# 9 LEU HA 9 LEU QQD 4.19
&rst
ixpk= 0, nxpk= 0, iat= 113, -1, r1= 1.30, r2= 1.80, r3= 5.65, r4= 6.15,
igr2= 120, 121, 122, 124, 125, 126,
&end
#
# 9 LEU HA 23 PHE QB 4.53
&rst
ixpk= 0, nxpk= 0, iat= 113, -1, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,
igr2= 306, 307,
&end
#
# 9 LEU HA 38 LEU QQD 5.86
&rst
ixpk= 0, nxpk= 0, iat= 113, -1, r1= 1.30, r2= 1.80, r3= 7.90, r4= 8.40,
igr2= 527, 528, 529, 531, 532, 533,
&end
#
# 9 LEU QB 10 CYX H 3.30
&rst
ixpk= 0, nxpk= 0, iat= -1, 130, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
igr1= 115, 116,
&end
#
# 9 LEU QB 24 GLY H 5.81
&rst
ixpk= 0, nxpk= 0, iat= -1, 322, r1= 1.30, r2= 1.80, r3= 6.52, r4= 7.02,
igr1= 115, 116,
&end
#
# 9 LEU HG 38 LEU QQD 5.17
&rst
ixpk= 0, nxpk= 0, iat= 118, -1, r1= 1.30, r2= 1.80, r3= 6.97, r4= 7.47,
igr2= 527, 528, 529, 531, 532, 533,
&end
#
# 9 LEU QQD 10 CYX H 5.23
&rst
ixpk= 0, nxpk= 0, iat= -1, 130, r1= 1.30, r2= 1.80, r3= 7.05, r4= 7.55,
igr1= 120, 121, 122, 124, 125, 126,
&end
#
# 9 LEU QQD 24 GLY H 6.14
&rst
ixpk= 0, nxpk= 0, iat= -1, 322, r1= 1.30, r2= 1.80, r3= 8.28, r4= 8.78,
igr1= 120, 121, 122, 124, 125, 126,
&end
#
# 9 LEU QQD 24 GLY HA2 6.42
&rst
ixpk= 0, nxpk= 0, iat= -1, 324, r1= 1.30, r2= 1.80, r3= 8.65, r4= 9.15,
igr1= 120, 121, 122, 124, 125, 126,
&end
#
# 9 LEU QQD 24 GLY HA3 5.51
&rst
ixpk= 0, nxpk= 0, iat= -1, 325, r1= 1.30, r2= 1.80, r3= 7.43, r4= 7.93,
igr1= 120, 121, 122, 124, 125, 126,
&end
#
# 9 LEU QQD 35 VAL HB 3.99
&rst
ixpk= 0, nxpk= 0, iat= -1, 475, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88,
igr1= 120, 121, 122, 124, 125, 126,
&end
#
# 9 LEU QQD 35 VAL QQG 4.72
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.58, r4= 9.08,
igr1= 120, 121, 122, 124, 125, 126,
igr2= 477, 478, 479, 481, 482, 483,
&end
#
# 9 LEU QQD 36 ILE H 6.90
&rst
ixpk= 0, nxpk= 0, iat= -1, 487, r1= 1.30, r2= 1.80, r3= 9.30, r4= 9.80,
igr1= 120, 121, 122, 124, 125, 126,
&end
#
# 9 LEU QQD 38 LEU HA 6.90
&rst
ixpk= 0, nxpk= 0, iat= -1, 520, r1= 1.30, r2= 1.80, r3= 9.30, r4= 9.80,
igr1= 120, 121, 122, 124, 125, 126,
&end
#
# 9 LEU QQD 38 LEU HG 6.21
&rst
ixpk= 0, nxpk= 0, iat= -1, 525, r1= 1.30, r2= 1.80, r3= 8.37, r4= 8.87,
igr1= 120, 121, 122, 124, 125, 126,
&end
#
# 10 CYX H 23 PHE QB 3.69
&rst
ixpk= 0, nxpk= 0, iat= 130, -1, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64,
igr2= 306, 307,
&end
#
# 10 CYX HA 23 PHE QB 4.21
&rst
ixpk= 0, nxpk= 0, iat= 132, -1, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,
igr2= 306, 307,
&end
#
# 10 CYX HB2 23 PHE QB 3.66
&rst
ixpk= 0, nxpk= 0, iat= 134, -1, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,
igr2= 306, 307,
&end
#
# 10 CYX HB3 23 PHE QB 4.46
&rst
ixpk= 0, nxpk= 0, iat= 135, -1, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51,
igr2= 306, 307,
&end
#
# 11 LYS QB 12 PHE QD 7.77
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.79, r4=10.29,
igr1= 144, 145,
igr2= 170, 178,
&end
#
# 11 LYS QB 12 PHE QE 7.78
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.80, r4=10.30,
igr1= 144, 145,
igr2= 172, 176,
&end
#
# 11 LYS QD 12 PHE QD 7.77
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.79, r4=10.29,
igr1= 150, 151,
igr2= 170, 178,
&end
#
# 11 LYS QD 12 PHE QE 7.74
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.75, r4=10.25,
igr1= 150, 151,
igr2= 172, 176,
&end
#
# 11 LYS QD 12 PHE HZ 5.27
&rst
ixpk= 0, nxpk= 0, iat= -1, 174, r1= 1.30, r2= 1.80, r3= 5.92, r4= 6.42,
igr1= 150, 151,
&end
#
# 11 LYS QE 12 PHE QD 7.77
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.79, r4=10.29,
igr1= 153, 154,
igr2= 170, 178,
&end
#
# 11 LYS QE 12 PHE HZ 4.90
&rst
ixpk= 0, nxpk= 0, iat= -1, 174, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
igr1= 153, 154,
&end
#
# 12 PHE H 12 PHE QB 3.08
&rst
ixpk= 0, nxpk= 0, iat= 162, -1, r1= 1.30, r2= 1.80, r3= 3.46, r4= 3.96,
igr2= 166, 167,
&end
#
# 12 PHE H 13 GLY QA 5.07
&rst
ixpk= 0, nxpk= 0, iat= 162, -1, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
igr2= 184, 185,
&end
#
# 12 PHE QB 15 LEU H 4.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 199, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1= 166, 167,
&end
#
# 12 PHE QB 15 LEU QB 4.46
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.62, r4= 6.12,
igr1= 166, 167,
igr2= 203, 204,
&end
#
# 12 PHE QB 16 CYX H 3.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 218, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1= 166, 167,
&end
#
# 12 PHE QB 16 CYX HA 3.19
&rst
ixpk= 0, nxpk= 0, iat= -1, 220, r1= 1.30, r2= 1.80, r3= 3.58, r4= 4.08,
igr1= 166, 167,
&end
#
# 12 PHE QD 15 LEU QB 7.77
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.79, r4=10.29,
igr1= 170, 178,
igr2= 203, 204,
&end
#
# 13 GLY H 26 PRO QD 5.74
&rst
ixpk= 0, nxpk= 0, iat= 182, -1, r1= 1.30, r2= 1.80, r3= 6.44, r4= 6.94,
igr2= 347, 348,
&end
#
# 13 GLY QA 14 ALA H 2.73
&rst
ixpk= 0, nxpk= 0, iat= -1, 189, r1= 1.30, r2= 1.80, r3= 3.06, r4= 3.56,
igr1= 184, 185,
&end
#
# 13 GLY QA 16 CYX H 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 218, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 184, 185,
&end
#
# 13 GLY QA 25 HID HD2 5.81
&rst
ixpk= 0, nxpk= 0, iat= -1, 342, r1= 1.30, r2= 1.80, r3= 6.52, r4= 7.02,
igr1= 184, 185,
&end
#
# 14 ALA H 15 LEU QB 4.66
&rst
ixpk= 0, nxpk= 0, iat= 189, -1, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73,
igr2= 203, 204,
&end
#
# 14 ALA H 15 LEU QQD 6.90
&rst
ixpk= 0, nxpk= 0, iat= 189, -1, r1= 1.30, r2= 1.80, r3= 9.30, r4= 9.80,
igr2= 208, 209, 210, 212, 213, 214,
&end
#
# 14 ALA H 26 PRO QG 4.87
&rst
ixpk= 0, nxpk= 0, iat= 189, -1, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
igr2= 350, 351,
&end
#
# 14 ALA H 26 PRO QD 5.81
&rst
ixpk= 0, nxpk= 0, iat= 189, -1, r1= 1.30, r2= 1.80, r3= 6.52, r4= 7.02,
igr2= 347, 348,
&end
#
# 14 ALA HA 26 PRO QD 4.20
&rst
ixpk= 0, nxpk= 0, iat= 191, -1, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
igr2= 347, 348,
&end
#
# 14 ALA QB 15 LEU QQD 6.73
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.89, r4=11.39,
igr1= 193, 194, 195,
igr2= 208, 209, 210, 212, 213, 214,
&end
#
# 14 ALA QB 26 PRO QG 4.57
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66,
igr1= 193, 194, 195,
igr2= 350, 351,
&end
#
# 14 ALA QB 26 PRO QD 5.89
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.94, r4= 8.44,
igr1= 193, 194, 195,
igr2= 347, 348,
&end
#
# 14 ALA QB 31 GLU QB 4.98
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.71, r4= 7.21,
igr1= 193, 194, 195,
igr2= 416, 417,
&end
#
# 14 ALA QB 31 GLU QG 5.59
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.54, r4= 8.04,
igr1= 193, 194, 195,
igr2= 419, 420,
&end
#
# 15 LEU H 15 LEU QB 2.94
&rst
ixpk= 0, nxpk= 0, iat= 199, -1, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,
igr2= 203, 204,
&end
#
# 15 LEU H 15 LEU QQD 5.31
&rst
ixpk= 0, nxpk= 0, iat= 199, -1, r1= 1.30, r2= 1.80, r3= 7.16, r4= 7.66,
igr2= 208, 209, 210, 212, 213, 214,
&end
#
# 15 LEU HA 15 LEU QQD 4.16
&rst
ixpk= 0, nxpk= 0, iat= 201, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2= 208, 209, 210, 212, 213, 214,
&end
#
# 15 LEU QB 16 CYX H 3.86
&rst
ixpk= 0, nxpk= 0, iat= -1, 218, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,
igr1= 203, 204,
&end
#
# 16 CYX QB 17 SER H 4.29
&rst
ixpk= 0, nxpk= 0, iat= -1, 228, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32,
igr1= 222, 223,
&end
#
# 16 CYX QB 18 ASN H 4.63
&rst
ixpk= 0, nxpk= 0, iat= -1, 239, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,
igr1= 222, 223,
&end
#
# 16 CYX QB 25 HID HD2 3.43
&rst
ixpk= 0, nxpk= 0, iat= -1, 342, r1= 1.30, r2= 1.80, r3= 3.85, r4= 4.35,
igr1= 222, 223,
&end
#
# 16 CYX QB 58 SER HA 4.70
&rst
ixpk= 0, nxpk= 0, iat= -1, 830, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
igr1= 222, 223,
&end
#
# 16 CYX QB 59 LEU H 5.81
&rst
ixpk= 0, nxpk= 0, iat= -1, 839, r1= 1.30, r2= 1.80, r3= 6.52, r4= 7.02,
igr1= 222, 223,
&end
#
# 17 SER H 17 SER QB 3.50
&rst
ixpk= 0, nxpk= 0, iat= 228, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 232, 233,
&end
#
# 18 ASN H 18 ASN QB 3.01
&rst
ixpk= 0, nxpk= 0, iat= 239, -1, r1= 1.30, r2= 1.80, r3= 3.38, r4= 3.88,
igr2= 243, 244,
&end
#
# 18 ASN H 21 CYX QB 4.36
&rst
ixpk= 0, nxpk= 0, iat= 239, -1, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39,
igr2= 282, 283,
&end
#
# 18 ASN HA 19 PRO QG 4.76
&rst
ixpk= 0, nxpk= 0, iat= 241, -1, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
igr2= 257, 258,
&end
#
# 18 ASN HA 19 PRO QD 2.42
&rst
ixpk= 0, nxpk= 0, iat= 241, -1, r1= 1.30, r2= 1.80, r3= 2.72, r4= 3.22,
igr2= 254, 255,
&end
#
# 18 ASN QB 19 PRO QG 4.61
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31,
igr1= 243, 244,
igr2= 257, 258,
&end
#
# 18 ASN QB 21 CYX H 4.19
&rst
ixpk= 0, nxpk= 0, iat= -1, 278, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,
igr1= 243, 244,
&end
#
# 18 ASN QD2 21 CYX HA 4.74
&rst
ixpk= 0, nxpk= 0, iat= -1, 280, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82,
igr1= 248, 249,
&end
#
# 18 ASN QD2 21 CYX QB 5.61
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.07, r4= 7.57,
igr1= 248, 249,
igr2= 282, 283,
&end
#
# 18 ASN QD2 22 PRO QD 5.61
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.07, r4= 7.57,
igr1= 248, 249,
igr2= 289, 290,
&end
#
# 19 PRO HA 58 SER QB 3.89
&rst
ixpk= 0, nxpk= 0, iat= 263, -1, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87,
igr2= 832, 833,
&end
#
# 19 PRO HA 61 LYS QG 4.77
&rst
ixpk= 0, nxpk= 0, iat= 263, -1, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85,
igr2= 876, 877,
&end
#
# 19 PRO QB 61 LYS H 5.81
&rst
ixpk= 0, nxpk= 0, iat= -1, 869, r1= 1.30, r2= 1.80, r3= 6.52, r4= 7.02,
igr1= 260, 261,
&end
#
# 19 PRO QB 61 LYS QG 4.39
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.53, r4= 6.03,
igr1= 260, 261,
igr2= 876, 877,
&end
#
# 19 PRO QD 20 SER H 4.89
&rst
ixpk= 0, nxpk= 0, iat= -1, 267, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99,
igr1= 254, 255,
&end
#
# 20 SER H 20 SER QB 3.15
&rst
ixpk= 0, nxpk= 0, iat= 267, -1, r1= 1.30, r2= 1.80, r3= 3.54, r4= 4.04,
igr2= 271, 272,
&end
#
# 20 SER QB 21 CYX H 3.10
&rst
ixpk= 0, nxpk= 0, iat= -1, 278, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98,
igr1= 271, 272,
&end
#
# 20 SER QB 22 PRO QD 5.62
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.08, r4= 7.58,
igr1= 271, 272,
igr2= 289, 290,
&end
#
# 21 CYX H 22 PRO QD 5.81
&rst
ixpk= 0, nxpk= 0, iat= 278, -1, r1= 1.30, r2= 1.80, r3= 6.52, r4= 7.02,
igr2= 289, 290,
&end
#
# 21 CYX H 58 SER QB 5.47
&rst
ixpk= 0, nxpk= 0, iat= 278, -1, r1= 1.30, r2= 1.80, r3= 6.14, r4= 6.64,
igr2= 832, 833,
&end
#
# 21 CYX HA 22 PRO QD 3.08
&rst
ixpk= 0, nxpk= 0, iat= 280, -1, r1= 1.30, r2= 1.80, r3= 3.46, r4= 3.96,
igr2= 289, 290,
&end
#
# 21 CYX QB 23 PHE H 4.43
&rst
ixpk= 0, nxpk= 0, iat= -1, 302, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47,
igr1= 282, 283,
&end
#
# 21 CYX QB 23 PHE QE 7.78
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.80, r4=10.30,
igr1= 282, 283,
igr2= 312, 316,
&end
#
# 21 CYX QB 25 HID HD1 5.81
&rst
ixpk= 0, nxpk= 0, iat= -1, 337, r1= 1.30, r2= 1.80, r3= 6.52, r4= 7.02,
igr1= 282, 283,
&end
#
# 21 CYX QB 25 HID HE1 3.46
&rst
ixpk= 0, nxpk= 0, iat= -1, 339, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38,
igr1= 282, 283,
&end
#
# 21 CYX QB 58 SER QB 3.68
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,
igr1= 282, 283,
igr2= 832, 833,
&end
#
# 22 PRO QB 23 PHE QE 7.78
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.80, r4=10.30,
igr1= 295, 296,
igr2= 312, 316,
&end
#
# 22 PRO QG 23 PHE QD 7.77
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.79, r4=10.29,
igr1= 292, 293,
igr2= 310, 318,
&end
#
# 22 PRO QG 23 PHE QE 7.78
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.80, r4=10.30,
igr1= 292, 293,
igr2= 312, 316,
&end
#
# 22 PRO QG 23 PHE HZ 5.81
&rst
ixpk= 0, nxpk= 0, iat= -1, 314, r1= 1.30, r2= 1.80, r3= 6.52, r4= 7.02,
igr1= 292, 293,
&end
#
# 22 PRO QD 23 PHE H 4.68
&rst
ixpk= 0, nxpk= 0, iat= -1, 302, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75,
igr1= 289, 290,
&end
#
# 22 PRO QD 23 PHE QE 7.78
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.80, r4=10.30,
igr1= 289, 290,
igr2= 312, 316,
&end
#
# 23 PHE QB 24 GLY H 3.03
&rst
ixpk= 0, nxpk= 0, iat= -1, 322, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90,
igr1= 306, 307,
&end
#
# 23 PHE QB 25 HID HD2 5.81
&rst
ixpk= 0, nxpk= 0, iat= -1, 342, r1= 1.30, r2= 1.80, r3= 6.52, r4= 7.02,
igr1= 306, 307,
&end
#
# 23 PHE QB 25 HID HE1 3.95
&rst
ixpk= 0, nxpk= 0, iat= -1, 339, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93,
igr1= 306, 307,
&end
#
# 24 GLY HA2 35 VAL QQG 5.54
&rst
ixpk= 0, nxpk= 0, iat= 324, -1, r1= 1.30, r2= 1.80, r3= 7.47, r4= 7.97,
igr2= 477, 478, 479, 481, 482, 483,
&end
#
# 24 GLY HA3 35 VAL QQG 6.90
&rst
ixpk= 0, nxpk= 0, iat= 325, -1, r1= 1.30, r2= 1.80, r3= 9.30, r4= 9.80,
igr2= 477, 478, 479, 481, 482, 483,
&end
#
# 25 HID HA 26 PRO QD 2.95
&rst
ixpk= 0, nxpk= 0, iat= 331, -1, r1= 1.30, r2= 1.80, r3= 3.31, r4= 3.81,
igr2= 347, 348,
&end
#
# 25 HID HA 35 VAL QQG 5.48
&rst
ixpk= 0, nxpk= 0, iat= 331, -1, r1= 1.30, r2= 1.80, r3= 7.39, r4= 7.89,
igr2= 477, 478, 479, 481, 482, 483,
&end
#
# 25 HID HB2 26 PRO QD 5.00
&rst
ixpk= 0, nxpk= 0, iat= 333, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2= 347, 348,
&end
#
# 25 HID HB3 26 PRO QD 3.55
&rst
ixpk= 0, nxpk= 0, iat= 334, -1, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48,
igr2= 347, 348,
&end
#
# 25 HID HD1 26 PRO QD 5.81
&rst
ixpk= 0, nxpk= 0, iat= 337, -1, r1= 1.30, r2= 1.80, r3= 6.52, r4= 7.02,
igr2= 347, 348,
&end
#
# 25 HID HD2 26 PRO QG 5.81
&rst
ixpk= 0, nxpk= 0, iat= 342, -1, r1= 1.30, r2= 1.80, r3= 6.52, r4= 7.02,
igr2= 350, 351,
&end
#
# 25 HID HD2 26 PRO QD 4.90
&rst
ixpk= 0, nxpk= 0, iat= 342, -1, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
igr2= 347, 348,
&end
#
# 25 HID HD2 58 SER QB 5.68
&rst
ixpk= 0, nxpk= 0, iat= 342, -1, r1= 1.30, r2= 1.80, r3= 6.38, r4= 6.88,
igr2= 832, 833,
&end
#
# 26 PRO HA 35 VAL QQG 4.61
&rst
ixpk= 0, nxpk= 0, iat= 356, -1, r1= 1.30, r2= 1.80, r3= 6.21, r4= 6.71,
igr2= 477, 478, 479, 481, 482, 483,
&end
#
# 26 PRO QB 27 THR H 3.48
&rst
ixpk= 0, nxpk= 0, iat= -1, 360, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41,
igr1= 353, 354,
&end
#
# 26 PRO QB 31 GLU HA 5.14
&rst
ixpk= 0, nxpk= 0, iat= -1, 414, r1= 1.30, r2= 1.80, r3= 5.77, r4= 6.27,
igr1= 353, 354,
&end
#
# 26 PRO QB 32 ASP H 5.81
&rst
ixpk= 0, nxpk= 0, iat= -1, 427, r1= 1.30, r2= 1.80, r3= 6.52, r4= 7.02,
igr1= 353, 354,
&end
#
# 26 PRO QB 33 ALA H 5.05
&rst
ixpk= 0, nxpk= 0, iat= -1, 439, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 353, 354,
&end
#
# 26 PRO QB 34 LYS H 5.81
&rst
ixpk= 0, nxpk= 0, iat= -1, 449, r1= 1.30, r2= 1.80, r3= 6.52, r4= 7.02,
igr1= 353, 354,
&end
#
# 26 PRO QB 35 VAL H 5.81
&rst
ixpk= 0, nxpk= 0, iat= -1, 471, r1= 1.30, r2= 1.80, r3= 6.52, r4= 7.02,
igr1= 353, 354,
&end
#
# 26 PRO QB 35 VAL QQG 5.51
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.34, r4= 8.84,
igr1= 353, 354,
igr2= 477, 478, 479, 481, 482, 483,
&end
#
# 26 PRO QG 31 GLU H 5.81
&rst
ixpk= 0, nxpk= 0, iat= -1, 412, r1= 1.30, r2= 1.80, r3= 6.52, r4= 7.02,
igr1= 350, 351,
&end
#
# 26 PRO QG 31 GLU HA 3.95
&rst
ixpk= 0, nxpk= 0, iat= -1, 414, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93,
igr1= 350, 351,
&end
#
# 26 PRO QG 33 ALA H 5.41
&rst
ixpk= 0, nxpk= 0, iat= -1, 439, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 350, 351,
&end
#
# 26 PRO QG 35 VAL H 5.71
&rst
ixpk= 0, nxpk= 0, iat= -1, 471, r1= 1.30, r2= 1.80, r3= 6.41, r4= 6.91,
igr1= 350, 351,
&end
#
# 26 PRO QD 35 VAL QQG 6.44
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.74, r4=10.24,
igr1= 347, 348,
igr2= 477, 478, 479, 481, 482, 483,
&end
#
# 27 THR H 28 PRO QD 5.81
&rst
ixpk= 0, nxpk= 0, iat= 360, -1, r1= 1.30, r2= 1.80, r3= 6.52, r4= 7.02,
igr2= 375, 376,
&end
#
# 27 THR H 35 VAL QQG 6.35
&rst
ixpk= 0, nxpk= 0, iat= 360, -1, r1= 1.30, r2= 1.80, r3= 8.56, r4= 9.06,
igr2= 477, 478, 479, 481, 482, 483,
&end
#
# 27 THR HB 52 CYX QB 3.70
&rst
ixpk= 0, nxpk= 0, iat= 364, -1, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65,
igr2= 738, 739,
&end
#
# 27 THR QG2 30 ASN QB 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 366, 367, 368,
igr2= 402, 403,
&end
#
# 27 THR QG2 52 CYX QB 4.64
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.25, r4= 6.75,
igr1= 366, 367, 368,
igr2= 738, 739,
&end
#
# 27 THR HG1 28 PRO QD 4.46
&rst
ixpk= 0, nxpk= 0, iat= 370, -1, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51,
igr2= 375, 376,
&end
#
# 27 THR HG1 52 CYX QB 4.63
&rst
ixpk= 0, nxpk= 0, iat= 370, -1, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,
igr2= 738, 739,
&end
#
# 28 PRO HA 59 LEU QQD 4.78
&rst
ixpk= 0, nxpk= 0, iat= 384, -1, r1= 1.30, r2= 1.80, r3= 6.44, r4= 6.94,
igr2= 848, 849, 850, 852, 853, 854,
&end
#
# 28 PRO QB 30 ASN H 4.46
&rst
ixpk= 0, nxpk= 0, iat= -1, 398, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51,
igr1= 381, 382,
&end
#
# 28 PRO QB 45 LEU QQD 5.93
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.97, r4= 9.47,
igr1= 381, 382,
igr2= 645, 646, 647, 649, 650, 651,
&end
#
# 28 PRO QB 59 LEU HG 3.71
&rst
ixpk= 0, nxpk= 0, iat= -1, 846, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66,
igr1= 381, 382,
&end
#
# 28 PRO QB 59 LEU QQD 4.76
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.20, r4= 7.70,
igr1= 381, 382,
igr2= 848, 849, 850, 852, 853, 854,
&end
#
# 28 PRO QB 62 ILE QD1 4.40
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43,
igr1= 381, 382,
igr2= 904, 905, 906,
&end
#
# 28 PRO HG2 45 LEU QQD 5.20
&rst
ixpk= 0, nxpk= 0, iat= 378, -1, r1= 1.30, r2= 1.80, r3= 7.01, r4= 7.51,
igr2= 645, 646, 647, 649, 650, 651,
&end
#
# 28 PRO HG3 45 LEU QQD 5.13
&rst
ixpk= 0, nxpk= 0, iat= 379, -1, r1= 1.30, r2= 1.80, r3= 6.92, r4= 7.42,
igr2= 645, 646, 647, 649, 650, 651,
&end
#
# 28 PRO HG3 59 LEU QQD 6.17
&rst
ixpk= 0, nxpk= 0, iat= 379, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr2= 848, 849, 850, 852, 853, 854,
&end
#
# 28 PRO QD 29 ALA H 3.91
&rst
ixpk= 0, nxpk= 0, iat= -1, 388, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89,
igr1= 375, 376,
&end
#
# 28 PRO QD 45 LEU QQD 5.56
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
igr1= 375, 376,
igr2= 645, 646, 647, 649, 650, 651,
&end
#
# 28 PRO QD 47 CYX HB2 4.22
&rst
ixpk= 0, nxpk= 0, iat= -1, 673, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,
igr1= 375, 376,
&end
#
# 28 PRO QD 47 CYX HB3 4.84
&rst
ixpk= 0, nxpk= 0, iat= -1, 674, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,
igr1= 375, 376,
&end
#
# 28 PRO QD 56 HID HD1 5.81
&rst
ixpk= 0, nxpk= 0, iat= -1, 808, r1= 1.30, r2= 1.80, r3= 6.52, r4= 7.02,
igr1= 375, 376,
&end
#
# 28 PRO QD 56 HID HD2 4.06
&rst
ixpk= 0, nxpk= 0, iat= -1, 813, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06,
igr1= 375, 376,
&end
#
# 28 PRO QD 59 LEU QQD 5.61
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
igr1= 375, 376,
igr2= 848, 849, 850, 852, 853, 854,
&end
#
# 29 ALA H 62 ILE QG1 5.81
&rst
ixpk= 0, nxpk= 0, iat= 388, -1, r1= 1.30, r2= 1.80, r3= 6.52, r4= 7.02,
igr2= 901, 902,
&end
#
# 29 ALA QB 30 ASN QB 6.13
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.26, r4= 8.76,
igr1= 392, 393, 394,
igr2= 402, 403,
&end
#
# 29 ALA QB 48 ASP QB 5.80
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.82, r4= 8.32,
igr1= 392, 393, 394,
igr2= 683, 684,
&end
#
# 29 ALA QB 50 PRO QB 5.22
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.04, r4= 7.54,
igr1= 392, 393, 394,
igr2= 712, 713,
&end
#
# 29 ALA QB 50 PRO QG 5.95
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.02, r4= 8.52,
igr1= 392, 393, 394,
igr2= 709, 710,
&end
#
# 29 ALA QB 52 CYX QB 6.42
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.65, r4= 9.15,
igr1= 392, 393, 394,
igr2= 738, 739,
&end
#
# 30 ASN H 30 ASN QB 3.21
&rst
ixpk= 0, nxpk= 0, iat= 398, -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr2= 402, 403,
&end
#
# 30 ASN QB 31 GLU H 4.18
&rst
ixpk= 0, nxpk= 0, iat= -1, 412, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19,
igr1= 402, 403,
&end
#
# 30 ASN QB 33 ALA QB 4.43
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.97, r4= 6.47,
igr1= 402, 403,
igr2= 443, 444, 445,
&end
#
# 30 ASN QB 50 PRO HA 3.38
&rst
ixpk= 0, nxpk= 0, iat= -1, 715, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29,
igr1= 402, 403,
&end
#
# 30 ASN QB 50 PRO QB 3.65
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
igr1= 402, 403,
igr2= 712, 713,
&end
#
# 30 ASN QD2 32 ASP H 5.81
&rst
ixpk= 0, nxpk= 0, iat= -1, 427, r1= 1.30, r2= 1.80, r3= 6.52, r4= 7.02,
igr1= 407, 408,
&end
#
# 30 ASN QD2 32 ASP QB 5.61
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.07, r4= 7.57,
igr1= 407, 408,
igr2= 431, 432,
&end
#
# 30 ASN QD2 33 ALA HA 5.77
&rst
ixpk= 0, nxpk= 0, iat= -1, 441, r1= 1.30, r2= 1.80, r3= 6.48, r4= 6.98,
igr1= 407, 408,
&end
#
# 30 ASN QD2 33 ALA QB 6.58
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.87, r4= 9.37,
igr1= 407, 408,
igr2= 443, 444, 445,
&end
#
# 30 ASN QD2 50 PRO HA 4.65
&rst
ixpk= 0, nxpk= 0, iat= -1, 715, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
igr1= 407, 408,
&end
#
# 30 ASN QD2 50 PRO QB 4.37
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01,
igr1= 407, 408,
igr2= 712, 713,
&end
#
# 30 ASN QD2 51 GLU HA 5.81
&rst
ixpk= 0, nxpk= 0, iat= -1, 721, r1= 1.30, r2= 1.80, r3= 6.52, r4= 7.02,
igr1= 407, 408,
&end
#
# 31 GLU H 31 GLU QB 3.42
&rst
ixpk= 0, nxpk= 0, iat= 412, -1, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34,
igr2= 416, 417,
&end
#
# 31 GLU H 31 GLU QG 3.61
&rst
ixpk= 0, nxpk= 0, iat= 412, -1, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55,
igr2= 419, 420,
&end
#
# 31 GLU H 32 ASP QB 5.00
&rst
ixpk= 0, nxpk= 0, iat= 412, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2= 431, 432,
&end
#
# 31 GLU QB 31 GLU QG 2.34
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 2.95, r4= 3.45,
igr1= 416, 417,
igr2= 419, 420,
&end
#
# 31 GLU QG 32 ASP H 4.66
&rst
ixpk= 0, nxpk= 0, iat= -1, 427, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73,
igr1= 419, 420,
&end
#
# 31 GLU QG 32 ASP QB 4.93
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.21, r4= 6.71,
igr1= 419, 420,
igr2= 431, 432,
&end
#
# 32 ASP H 32 ASP QB 3.00
&rst
ixpk= 0, nxpk= 0, iat= 427, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2= 431, 432,
&end
#
# 33 ALA H 53 ARG QB 5.81
&rst
ixpk= 0, nxpk= 0, iat= 439, -1, r1= 1.30, r2= 1.80, r3= 6.52, r4= 7.02,
igr2= 748, 749,
&end
#
# 33 ALA HA 53 ARG QB 4.56
&rst
ixpk= 0, nxpk= 0, iat= 441, -1, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
igr2= 748, 749,
&end
#
# 33 ALA QB 35 VAL QQG 7.42
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=12.01, r4=12.51,
igr1= 443, 444, 445,
igr2= 477, 478, 479, 481, 482, 483,
&end
#
# 33 ALA QB 53 ARG QB 5.82
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.85, r4= 8.35,
igr1= 443, 444, 445,
igr2= 748, 749,
&end
#
# 34 LYS H 34 LYS QB 2.95
&rst
ixpk= 0, nxpk= 0, iat= 449, -1, r1= 1.30, r2= 1.80, r3= 3.31, r4= 3.81,
igr2= 453, 454,
&end
#
# 34 LYS H 34 LYS QG 4.50
&rst
ixpk= 0, nxpk= 0, iat= 449, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 456, 457,
&end
#
# 34 LYS H 35 VAL QQG 6.90
&rst
ixpk= 0, nxpk= 0, iat= 449, -1, r1= 1.30, r2= 1.80, r3= 9.30, r4= 9.80,
igr2= 477, 478, 479, 481, 482, 483,
&end
#
# 34 LYS H 53 ARG QD 5.81
&rst
ixpk= 0, nxpk= 0, iat= 449, -1, r1= 1.30, r2= 1.80, r3= 6.52, r4= 7.02,
igr2= 754, 755,
&end
#
# 35 VAL QQG 36 ILE H 5.24
&rst
ixpk= 0, nxpk= 0, iat= -1, 487, r1= 1.30, r2= 1.80, r3= 7.06, r4= 7.56,
igr1= 477, 478, 479, 481, 482, 483,
&end
#
# 35 VAL QQG 36 ILE HA 6.76
&rst
ixpk= 0, nxpk= 0, iat= -1, 489, r1= 1.30, r2= 1.80, r3= 9.11, r4= 9.61,
igr1= 477, 478, 479, 481, 482, 483,
&end
#
# 35 VAL QQG 37 ASP H 5.69
&rst
ixpk= 0, nxpk= 0, iat= -1, 506, r1= 1.30, r2= 1.80, r3= 7.67, r4= 8.17,
igr1= 477, 478, 479, 481, 482, 483,
&end
#
# 35 VAL QQG 37 ASP QB 6.62
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.02, r4=10.52,
igr1= 477, 478, 479, 481, 482, 483,
igr2= 510, 511,
&end
#
# 35 VAL QQG 38 LEU HA 5.20
&rst
ixpk= 0, nxpk= 0, iat= -1, 520, r1= 1.30, r2= 1.80, r3= 7.01, r4= 7.51,
igr1= 477, 478, 479, 481, 482, 483,
&end
#
# 35 VAL QQG 39 MET H 6.90
&rst
ixpk= 0, nxpk= 0, iat= -1, 537, r1= 1.30, r2= 1.80, r3= 9.30, r4= 9.80,
igr1= 477, 478, 479, 481, 482, 483,
&end
#
# 35 VAL QQG 54 LYS HA 5.86
&rst
ixpk= 0, nxpk= 0, iat= -1, 770, r1= 1.30, r2= 1.80, r3= 7.90, r4= 8.40,
igr1= 477, 478, 479, 481, 482, 483,
&end
#
# 35 VAL QQG 55 ALA H 6.45
&rst
ixpk= 0, nxpk= 0, iat= -1, 790, r1= 1.30, r2= 1.80, r3= 8.69, r4= 9.19,
igr1= 477, 478, 479, 481, 482, 483,
&end
#
# 35 VAL QQG 55 ALA HA 3.80
&rst
ixpk= 0, nxpk= 0, iat= -1, 792, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
igr1= 477, 478, 479, 481, 482, 483,
&end
#
# 35 VAL QQG 55 ALA QB 5.94
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.62, r4=10.12,
igr1= 477, 478, 479, 481, 482, 483,
igr2= 794, 795, 796,
&end
#
# 35 VAL QQG 56 HID H 6.20
&rst
ixpk= 0, nxpk= 0, iat= -1, 800, r1= 1.30, r2= 1.80, r3= 8.36, r4= 8.86,
igr1= 477, 478, 479, 481, 482, 483,
&end
#
# 35 VAL QQG 56 HID HD1 5.76
&rst
ixpk= 0, nxpk= 0, iat= -1, 808, r1= 1.30, r2= 1.80, r3= 7.76, r4= 8.26,
igr1= 477, 478, 479, 481, 482, 483,
&end
#
# 35 VAL QQG 56 HID HE1 6.12
&rst
ixpk= 0, nxpk= 0, iat= -1, 810, r1= 1.30, r2= 1.80, r3= 8.25, r4= 8.75,
igr1= 477, 478, 479, 481, 482, 483,
&end
#
# 36 ILE H 36 ILE QG1 4.75
&rst
ixpk= 0, nxpk= 0, iat= 487, -1, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83,
igr2= 497, 498,
&end
#
# 36 ILE H 53 ARG QG 5.81
&rst
ixpk= 0, nxpk= 0, iat= 487, -1, r1= 1.30, r2= 1.80, r3= 6.52, r4= 7.02,
igr2= 751, 752,
&end
#
# 36 ILE H 53 ARG QD 5.81
&rst
ixpk= 0, nxpk= 0, iat= 487, -1, r1= 1.30, r2= 1.80, r3= 6.52, r4= 7.02,
igr2= 754, 755,
&end
#
# 36 ILE HA 38 LEU QQD 6.62
&rst
ixpk= 0, nxpk= 0, iat= 489, -1, r1= 1.30, r2= 1.80, r3= 8.92, r4= 9.42,
igr2= 527, 528, 529, 531, 532, 533,
&end
#
# 36 ILE HB 53 ARG QD 5.74
&rst
ixpk= 0, nxpk= 0, iat= 491, -1, r1= 1.30, r2= 1.80, r3= 6.44, r4= 6.94,
igr2= 754, 755,
&end
#
# 36 ILE QG1 37 ASP H 5.07
&rst
ixpk= 0, nxpk= 0, iat= -1, 506, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
igr1= 497, 498,
&end
#
# 36 ILE QG1 53 ARG QB 4.22
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82,
igr1= 497, 498,
igr2= 748, 749,
&end
#
# 36 ILE QG1 53 ARG QD 5.18
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.53, r4= 7.03,
igr1= 497, 498,
igr2= 754, 755,
&end
#
# 36 ILE QD1 53 ARG QD 5.49
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.40, r4= 7.90,
igr1= 500, 501, 502,
igr2= 754, 755,
&end
#
# 37 ASP H 37 ASP QB 3.09
&rst
ixpk= 0, nxpk= 0, iat= 506, -1, r1= 1.30, r2= 1.80, r3= 3.47, r4= 3.97,
igr2= 510, 511,
&end
#
# 37 ASP H 38 LEU QQD 6.90
&rst
ixpk= 0, nxpk= 0, iat= 506, -1, r1= 1.30, r2= 1.80, r3= 9.30, r4= 9.80,
igr2= 527, 528, 529, 531, 532, 533,
&end
#
# 37 ASP H 54 LYS QB 5.81
&rst
ixpk= 0, nxpk= 0, iat= 506, -1, r1= 1.30, r2= 1.80, r3= 6.52, r4= 7.02,
igr2= 772, 773,
&end
#
# 37 ASP QB 38 LEU H 3.93
&rst
ixpk= 0, nxpk= 0, iat= -1, 518, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 510, 511,
&end
#
# 37 ASP QB 39 MET H 4.70
&rst
ixpk= 0, nxpk= 0, iat= -1, 537, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
igr1= 510, 511,
&end
#
# 37 ASP QB 54 LYS H 5.81
&rst
ixpk= 0, nxpk= 0, iat= -1, 768, r1= 1.30, r2= 1.80, r3= 6.52, r4= 7.02,
igr1= 510, 511,
&end
#
# 37 ASP QB 54 LYS HA 3.93
&rst
ixpk= 0, nxpk= 0, iat= -1, 770, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 510, 511,
&end
#
# 37 ASP QB 54 LYS QB 4.48
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.64, r4= 6.14,
igr1= 510, 511,
igr2= 772, 773,
&end
#
# 37 ASP QB 54 LYS QG 5.27
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.64, r4= 7.14,
igr1= 510, 511,
igr2= 775, 776,
&end
#
# 37 ASP QB 54 LYS QE 5.24
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,
igr1= 510, 511,
igr2= 781, 782,
&end
#
# 38 LEU H 38 LEU QB 2.74
&rst
ixpk= 0, nxpk= 0, iat= 518, -1, r1= 1.30, r2= 1.80, r3= 3.08, r4= 3.58,
igr2= 522, 523,
&end
#
# 38 LEU H 38 LEU QQD 5.13
&rst
ixpk= 0, nxpk= 0, iat= 518, -1, r1= 1.30, r2= 1.80, r3= 6.92, r4= 7.42,
igr2= 527, 528, 529, 531, 532, 533,
&end
#
# 38 LEU HA 38 LEU QQD 3.95
&rst
ixpk= 0, nxpk= 0, iat= 520, -1, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82,
igr2= 527, 528, 529, 531, 532, 533,
&end
#
# 38 LEU QB 38 LEU HG 2.31
&rst
ixpk= 0, nxpk= 0, iat= -1, 525, r1= 1.30, r2= 1.80, r3= 2.59, r4= 3.09,
igr1= 522, 523,
&end
#
# 38 LEU QB 39 MET H 4.22
&rst
ixpk= 0, nxpk= 0, iat= -1, 537, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,
igr1= 522, 523,
&end
#
# 38 LEU QB 55 ALA QB 6.02
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.11, r4= 8.61,
igr1= 522, 523,
igr2= 794, 795, 796,
&end
#
# 38 LEU QQD 39 MET H 5.65
&rst
ixpk= 0, nxpk= 0, iat= -1, 537, r1= 1.30, r2= 1.80, r3= 7.62, r4= 8.12,
igr1= 527, 528, 529, 531, 532, 533,
&end
#
# 39 MET H 39 MET QB 3.47
&rst
ixpk= 0, nxpk= 0, iat= 537, -1, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39,
igr2= 541, 542,
&end
#
# 39 MET H 39 MET QG 4.70
&rst
ixpk= 0, nxpk= 0, iat= 537, -1, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
igr2= 544, 545,
&end
#
# 39 MET H 54 LYS QB 5.26
&rst
ixpk= 0, nxpk= 0, iat= 537, -1, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,
igr2= 772, 773,
&end
#
# 39 MET H 54 LYS QG 5.81
&rst
ixpk= 0, nxpk= 0, iat= 537, -1, r1= 1.30, r2= 1.80, r3= 6.52, r4= 7.02,
igr2= 775, 776,
&end
#
# 39 MET QB 39 MET QE 4.54
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.12, r4= 6.62,
igr1= 541, 542,
igr2= 548, 549, 550,
&end
#
# 39 MET QB 40 TRP HD1 5.81
&rst
ixpk= 0, nxpk= 0, iat= -1, 562, r1= 1.30, r2= 1.80, r3= 6.52, r4= 7.02,
igr1= 541, 542,
&end
#
# 39 MET QB 54 LYS HA 5.81
&rst
ixpk= 0, nxpk= 0, iat= -1, 770, r1= 1.30, r2= 1.80, r3= 6.52, r4= 7.02,
igr1= 541, 542,
&end
#
# 39 MET QB 54 LYS QG 4.52
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
igr1= 541, 542,
igr2= 775, 776,
&end
#
# 39 MET QB 55 ALA QB 6.05
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.16, r4= 8.66,
igr1= 541, 542,
igr2= 794, 795, 796,
&end
#
# 39 MET QG 54 LYS HA 5.81
&rst
ixpk= 0, nxpk= 0, iat= -1, 770, r1= 1.30, r2= 1.80, r3= 6.52, r4= 7.02,
igr1= 544, 545,
&end
#
# 39 MET QG 54 LYS QB 4.61
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31,
igr1= 544, 545,
igr2= 772, 773,
&end
#
# 39 MET QG 54 LYS QG 4.39
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.53, r4= 6.03,
igr1= 544, 545,
igr2= 775, 776,
&end
#
# 40 TRP H 40 TRP QB 3.05
&rst
ixpk= 0, nxpk= 0, iat= 554, -1, r1= 1.30, r2= 1.80, r3= 3.42, r4= 3.92,
igr2= 558, 559,
&end
#
# 40 TRP QB 40 TRP HD1 3.20
&rst
ixpk= 0, nxpk= 0, iat= -1, 562, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09,
igr1= 558, 559,
&end
#
# 40 TRP QB 41 CYX H 3.69
&rst
ixpk= 0, nxpk= 0, iat= -1, 578, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64,
igr1= 558, 559,
&end
#
# 40 TRP HE3 56 HID QB 5.81
&rst
ixpk= 0, nxpk= 0, iat= 573, -1, r1= 1.30, r2= 1.80, r3= 6.52, r4= 7.02,
igr2= 804, 805,
&end
#
# 40 TRP HZ3 45 LEU QQD 6.90
&rst
ixpk= 0, nxpk= 0, iat= 571, -1, r1= 1.30, r2= 1.80, r3= 9.30, r4= 9.80,
igr2= 645, 646, 647, 649, 650, 651,
&end
#
# 41 CYX H 54 LYS QB 4.88
&rst
ixpk= 0, nxpk= 0, iat= 578, -1, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98,
igr2= 772, 773,
&end
#
# 41 CYX H 54 LYS QG 5.81
&rst
ixpk= 0, nxpk= 0, iat= 578, -1, r1= 1.30, r2= 1.80, r3= 6.52, r4= 7.02,
igr2= 775, 776,
&end
#
# 41 CYX H 54 LYS QD 5.81
&rst
ixpk= 0, nxpk= 0, iat= 578, -1, r1= 1.30, r2= 1.80, r3= 6.52, r4= 7.02,
igr2= 778, 779,
&end
#
# 41 CYX HA 54 LYS QD 3.42
&rst
ixpk= 0, nxpk= 0, iat= 580, -1, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34,
igr2= 778, 779,
&end
#
# 41 CYX QB 44 ASN H 3.47
&rst
ixpk= 0, nxpk= 0, iat= -1, 622, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39,
igr1= 582, 583,
&end
#
# 41 CYX QB 44 ASN HA 3.78
&rst
ixpk= 0, nxpk= 0, iat= -1, 624, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1= 582, 583,
&end
#
# 41 CYX QB 54 LYS QB 3.58
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01,
igr1= 582, 583,
igr2= 772, 773,
&end
#
# 41 CYX QB 54 LYS QG 4.48
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.64, r4= 6.14,
igr1= 582, 583,
igr2= 775, 776,
&end
#
# 41 CYX QB 56 HID HD1 5.81
&rst
ixpk= 0, nxpk= 0, iat= -1, 808, r1= 1.30, r2= 1.80, r3= 6.52, r4= 7.02,
igr1= 582, 583,
&end
#
# 41 CYX QB 56 HID HD2 3.85
&rst
ixpk= 0, nxpk= 0, iat= -1, 813, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82,
igr1= 582, 583,
&end
#
# 41 CYX QB 56 HID HE1 5.04
&rst
ixpk= 0, nxpk= 0, iat= -1, 810, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
igr1= 582, 583,
&end
#
# 42 ASP QB 43 LYS H 3.70
&rst
ixpk= 0, nxpk= 0, iat= -1, 600, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65,
igr1= 592, 593,
&end
#
# 43 LYS H 43 LYS QG 3.10
&rst
ixpk= 0, nxpk= 0, iat= 600, -1, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98,
igr2= 607, 608,
&end
#
# 43 LYS HA 43 LYS QG 3.30
&rst
ixpk= 0, nxpk= 0, iat= 602, -1, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
igr2= 607, 608,
&end
#
# 43 LYS QB 44 ASN H 3.33
&rst
ixpk= 0, nxpk= 0, iat= -1, 622, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24,
igr1= 604, 605,
&end
#
# 43 LYS QB 47 CYX H 3.57
&rst
ixpk= 0, nxpk= 0, iat= -1, 669, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51,
igr1= 604, 605,
&end
#
# 43 LYS QG 44 ASN H 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 622, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 607, 608,
&end
#
# 43 LYS QG 47 CYX H 5.41
&rst
ixpk= 0, nxpk= 0, iat= -1, 669, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 607, 608,
&end
#
# 43 LYS QG 47 CYX HA 3.40
&rst
ixpk= 0, nxpk= 0, iat= -1, 671, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32,
igr1= 607, 608,
&end
#
# 43 LYS QD 47 CYX H 5.71
&rst
ixpk= 0, nxpk= 0, iat= -1, 669, r1= 1.30, r2= 1.80, r3= 6.41, r4= 6.91,
igr1= 610, 611,
&end
#
# 43 LYS QE 47 CYX H 5.81
&rst
ixpk= 0, nxpk= 0, iat= -1, 669, r1= 1.30, r2= 1.80, r3= 6.52, r4= 7.02,
igr1= 613, 614,
&end
#
# 44 ASN H 44 ASN QB 3.42
&rst
ixpk= 0, nxpk= 0, iat= 622, -1, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34,
igr2= 626, 627,
&end
#
# 44 ASN QB 45 LEU H 2.78
&rst
ixpk= 0, nxpk= 0, iat= -1, 636, r1= 1.30, r2= 1.80, r3= 3.12, r4= 3.62,
igr1= 626, 627,
&end
#
# 44 ASN QB 46 THR H 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 655, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 626, 627,
&end
#
# 44 ASN QD2 45 LEU H 5.19
&rst
ixpk= 0, nxpk= 0, iat= -1, 636, r1= 1.30, r2= 1.80, r3= 5.83, r4= 6.33,
igr1= 631, 632,
&end
#
# 44 ASN QD2 45 LEU QB 5.61
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.07, r4= 7.57,
igr1= 631, 632,
igr2= 640, 641,
&end
#
# 44 ASN QD2 45 LEU HG 5.22
&rst
ixpk= 0, nxpk= 0, iat= -1, 643, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36,
igr1= 631, 632,
&end
#
# 44 ASN QD2 45 LEU QQD 5.76
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.72, r4= 9.22,
igr1= 631, 632,
igr2= 645, 646, 647, 649, 650, 651,
&end
#
# 44 ASN QD2 46 THR H 5.81
&rst
ixpk= 0, nxpk= 0, iat= -1, 655, r1= 1.30, r2= 1.80, r3= 6.52, r4= 7.02,
igr1= 631, 632,
&end
#
# 44 ASN QD2 57 SER H 4.73
&rst
ixpk= 0, nxpk= 0, iat= -1, 817, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,
igr1= 631, 632,
&end
#
# 44 ASN QD2 57 SER HA 5.81
&rst
ixpk= 0, nxpk= 0, iat= -1, 819, r1= 1.30, r2= 1.80, r3= 6.52, r4= 7.02,
igr1= 631, 632,
&end
#
# 44 ASN QD2 57 SER QB 4.53
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.71, r4= 6.21,
igr1= 631, 632,
igr2= 821, 822,
&end
#
# 45 LEU H 45 LEU QQD 5.58
&rst
ixpk= 0, nxpk= 0, iat= 636, -1, r1= 1.30, r2= 1.80, r3= 7.52, r4= 8.02,
igr2= 645, 646, 647, 649, 650, 651,
&end
#
# 45 LEU H 57 SER QB 5.81
&rst
ixpk= 0, nxpk= 0, iat= 636, -1, r1= 1.30, r2= 1.80, r3= 6.52, r4= 7.02,
igr2= 821, 822,
&end
#
# 45 LEU HA 45 LEU QQD 3.83
&rst
ixpk= 0, nxpk= 0, iat= 638, -1, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
igr2= 645, 646, 647, 649, 650, 651,
&end
#
# 45 LEU QB 46 THR QG2 5.82
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.85, r4= 8.35,
igr1= 640, 641,
igr2= 661, 662, 663,
&end
#
# 45 LEU QB 57 SER H 5.81
&rst
ixpk= 0, nxpk= 0, iat= -1, 817, r1= 1.30, r2= 1.80, r3= 6.52, r4= 7.02,
igr1= 640, 641,
&end
#
# 45 LEU QB 62 ILE QG1 5.02
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.32, r4= 6.82,
igr1= 640, 641,
igr2= 901, 902,
&end
#
# 45 LEU HG 57 SER QB 4.66
&rst
ixpk= 0, nxpk= 0, iat= 643, -1, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73,
igr2= 821, 822,
&end
#
# 45 LEU QQD 46 THR H 6.90
&rst
ixpk= 0, nxpk= 0, iat= -1, 655, r1= 1.30, r2= 1.80, r3= 9.30, r4= 9.80,
igr1= 645, 646, 647, 649, 650, 651,
&end
#
# 45 LEU QQD 47 CYX H 6.90
&rst
ixpk= 0, nxpk= 0, iat= -1, 669, r1= 1.30, r2= 1.80, r3= 9.30, r4= 9.80,
igr1= 645, 646, 647, 649, 650, 651,
&end
#
# 45 LEU QQD 56 HID QB 5.21
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.88, r4= 8.38,
igr1= 645, 646, 647, 649, 650, 651,
igr2= 804, 805,
&end
#
# 45 LEU QQD 57 SER H 5.76
&rst
ixpk= 0, nxpk= 0, iat= -1, 817, r1= 1.30, r2= 1.80, r3= 7.76, r4= 8.26,
igr1= 645, 646, 647, 649, 650, 651,
&end
#
# 45 LEU QQD 57 SER HA 6.13
&rst
ixpk= 0, nxpk= 0, iat= -1, 819, r1= 1.30, r2= 1.80, r3= 8.26, r4= 8.76,
igr1= 645, 646, 647, 649, 650, 651,
&end
#
# 45 LEU QQD 57 SER QB 4.06
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.14, r4= 6.64,
igr1= 645, 646, 647, 649, 650, 651,
igr2= 821, 822,
&end
#
# 45 LEU QQD 58 SER HA 6.90
&rst
ixpk= 0, nxpk= 0, iat= -1, 830, r1= 1.30, r2= 1.80, r3= 9.30, r4= 9.80,
igr1= 645, 646, 647, 649, 650, 651,
&end
#
# 45 LEU QQD 59 LEU H 6.90
&rst
ixpk= 0, nxpk= 0, iat= -1, 839, r1= 1.30, r2= 1.80, r3= 9.30, r4= 9.80,
igr1= 645, 646, 647, 649, 650, 651,
&end
#
# 45 LEU QQD 59 LEU HA 4.89
&rst
ixpk= 0, nxpk= 0, iat= -1, 841, r1= 1.30, r2= 1.80, r3= 6.59, r4= 7.09,
igr1= 645, 646, 647, 649, 650, 651,
&end
#
# 45 LEU QQD 61 LYS H 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 869, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 645, 646, 647, 649, 650, 651,
&end
#
# 45 LEU QQD 61 LYS QB 3.53
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
igr1= 645, 646, 647, 649, 650, 651,
igr2= 873, 874,
&end
#
# 45 LEU QQD 62 ILE H 6.90
&rst
ixpk= 0, nxpk= 0, iat= -1, 891, r1= 1.30, r2= 1.80, r3= 9.30, r4= 9.80,
igr1= 645, 646, 647, 649, 650, 651,
&end
#
# 45 LEU QQD 62 ILE QG1 5.12
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.75, r4= 8.25,
igr1= 645, 646, 647, 649, 650, 651,
igr2= 901, 902,
&end
#
# 45 LEU QQD 62 ILE QD1 6.25
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.12, r4=10.62,
igr1= 645, 646, 647, 649, 650, 651,
igr2= 904, 905, 906,
&end
#
# 48 ASP H 48 ASP QB 3.17
&rst
ixpk= 0, nxpk= 0, iat= 679, -1, r1= 1.30, r2= 1.80, r3= 3.56, r4= 4.06,
igr2= 683, 684,
&end
#
# 49 ASN H 49 ASN QB 2.95
&rst
ixpk= 0, nxpk= 0, iat= 691, -1, r1= 1.30, r2= 1.80, r3= 3.31, r4= 3.81,
igr2= 695, 696,
&end
#
# 49 ASN HA 50 PRO QG 5.25
&rst
ixpk= 0, nxpk= 0, iat= 693, -1, r1= 1.30, r2= 1.80, r3= 5.89, r4= 6.39,
igr2= 709, 710,
&end
#
# 49 ASN HA 50 PRO QD 2.42
&rst
ixpk= 0, nxpk= 0, iat= 693, -1, r1= 1.30, r2= 1.80, r3= 2.72, r4= 3.22,
igr2= 706, 707,
&end
#
# 49 ASN QB 50 PRO QD 4.77
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.01, r4= 6.51,
igr1= 695, 696,
igr2= 706, 707,
&end
#
# 49 ASN QD2 51 GLU H 5.77
&rst
ixpk= 0, nxpk= 0, iat= -1, 719, r1= 1.30, r2= 1.80, r3= 6.48, r4= 6.98,
igr1= 700, 701,
&end
#
# 49 ASN QD2 51 GLU QB 4.79
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.04, r4= 6.54,
igr1= 700, 701,
igr2= 723, 724,
&end
#
# 49 ASN QD2 52 CYX H 5.81
&rst
ixpk= 0, nxpk= 0, iat= -1, 734, r1= 1.30, r2= 1.80, r3= 6.52, r4= 7.02,
igr1= 700, 701,
&end
#
# 49 ASN QD2 52 CYX HA 5.74
&rst
ixpk= 0, nxpk= 0, iat= -1, 736, r1= 1.30, r2= 1.80, r3= 6.44, r4= 6.94,
igr1= 700, 701,
&end
#
# 50 PRO QB 51 GLU H 3.70
&rst
ixpk= 0, nxpk= 0, iat= -1, 719, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65,
igr1= 712, 713,
&end
#
# 50 PRO QG 51 GLU H 4.84
&rst
ixpk= 0, nxpk= 0, iat= -1, 719, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,
igr1= 709, 710,
&end
#
# 50 PRO QD 51 GLU H 4.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 719, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1= 706, 707,
&end
#
# 51 GLU H 51 GLU QB 3.02
&rst
ixpk= 0, nxpk= 0, iat= 719, -1, r1= 1.30, r2= 1.80, r3= 3.39, r4= 3.89,
igr2= 723, 724,
&end
#
# 51 GLU HA 51 GLU QG 3.60
&rst
ixpk= 0, nxpk= 0, iat= 721, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr2= 726, 727,
&end
#
# 51 GLU QB 51 GLU QG 2.26
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 2.85, r4= 3.35,
igr1= 723, 724,
igr2= 726, 727,
&end
#
# 51 GLU QB 52 CYX H 4.02
&rst
ixpk= 0, nxpk= 0, iat= -1, 734, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01,
igr1= 723, 724,
&end
#
# 51 GLU QG 52 CYX H 5.78
&rst
ixpk= 0, nxpk= 0, iat= -1, 734, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
igr1= 726, 727,
&end
#
# 52 CYX H 52 CYX QB 2.87
&rst
ixpk= 0, nxpk= 0, iat= 734, -1, r1= 1.30, r2= 1.80, r3= 3.22, r4= 3.72,
igr2= 738, 739,
&end
#
# 52 CYX QB 53 ARG H 4.14
&rst
ixpk= 0, nxpk= 0, iat= -1, 744, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,
igr1= 738, 739,
&end
#
# 52 CYX QB 54 LYS H 4.19
&rst
ixpk= 0, nxpk= 0, iat= -1, 768, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,
igr1= 738, 739,
&end
#
# 52 CYX QB 56 HID HE1 4.74
&rst
ixpk= 0, nxpk= 0, iat= -1, 810, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82,
igr1= 738, 739,
&end
#
# 53 ARG H 53 ARG QB 3.66
&rst
ixpk= 0, nxpk= 0, iat= 744, -1, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,
igr2= 748, 749,
&end
#
# 53 ARG H 53 ARG QG 3.55
&rst
ixpk= 0, nxpk= 0, iat= 744, -1, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48,
igr2= 751, 752,
&end
#
# 53 ARG H 53 ARG QD 5.81
&rst
ixpk= 0, nxpk= 0, iat= 744, -1, r1= 1.30, r2= 1.80, r3= 6.52, r4= 7.02,
igr2= 754, 755,
&end
#
# 53 ARG H 54 LYS QB 4.83
&rst
ixpk= 0, nxpk= 0, iat= 744, -1, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,
igr2= 772, 773,
&end
#
# 53 ARG H 54 LYS QG 5.00
&rst
ixpk= 0, nxpk= 0, iat= 744, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2= 775, 776,
&end
#
# 53 ARG HA 53 ARG QG 3.20
&rst
ixpk= 0, nxpk= 0, iat= 746, -1, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09,
igr2= 751, 752,
&end
#
# 53 ARG HA 53 ARG QD 4.12
&rst
ixpk= 0, nxpk= 0, iat= 746, -1, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
igr2= 754, 755,
&end
#
# 53 ARG QB 53 ARG QG 2.35
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 2.96, r4= 3.46,
igr1= 748, 749,
igr2= 751, 752,
&end
#
# 53 ARG QB 54 LYS H 4.26
&rst
ixpk= 0, nxpk= 0, iat= -1, 768, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28,
igr1= 748, 749,
&end
#
# 53 ARG QB 54 LYS QE 5.55
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.99, r4= 7.49,
igr1= 748, 749,
igr2= 781, 782,
&end
#
# 53 ARG QG 54 LYS H 5.31
&rst
ixpk= 0, nxpk= 0, iat= -1, 768, r1= 1.30, r2= 1.80, r3= 5.96, r4= 6.46,
igr1= 751, 752,
&end
#
# 54 LYS H 54 LYS QB 2.99
&rst
ixpk= 0, nxpk= 0, iat= 768, -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr2= 772, 773,
&end
#
# 54 LYS H 54 LYS QG 3.66
&rst
ixpk= 0, nxpk= 0, iat= 768, -1, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,
igr2= 775, 776,
&end
#
# 54 LYS H 54 LYS QD 5.04
&rst
ixpk= 0, nxpk= 0, iat= 768, -1, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
igr2= 778, 779,
&end
#
# 54 LYS H 54 LYS QE 5.81
&rst
ixpk= 0, nxpk= 0, iat= 768, -1, r1= 1.30, r2= 1.80, r3= 6.52, r4= 7.02,
igr2= 781, 782,
&end
#
# 54 LYS HA 54 LYS QG 3.55
&rst
ixpk= 0, nxpk= 0, iat= 770, -1, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48,
igr2= 775, 776,
&end
#
# 54 LYS HA 54 LYS QD 5.81
&rst
ixpk= 0, nxpk= 0, iat= 770, -1, r1= 1.30, r2= 1.80, r3= 6.52, r4= 7.02,
igr2= 778, 779,
&end
#
# 54 LYS HA 54 LYS QE 5.81
&rst
ixpk= 0, nxpk= 0, iat= 770, -1, r1= 1.30, r2= 1.80, r3= 6.52, r4= 7.02,
igr2= 781, 782,
&end
#
# 54 LYS QB 55 ALA H 2.81
&rst
ixpk= 0, nxpk= 0, iat= -1, 790, r1= 1.30, r2= 1.80, r3= 3.15, r4= 3.65,
igr1= 772, 773,
&end
#
# 54 LYS QB 56 HID HE1 4.63
&rst
ixpk= 0, nxpk= 0, iat= -1, 810, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,
igr1= 772, 773,
&end
#
# 54 LYS QG 54 LYS QE 3.31
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67,
igr1= 775, 776,
igr2= 781, 782,
&end
#
# 54 LYS QG 55 ALA H 5.22
&rst
ixpk= 0, nxpk= 0, iat= -1, 790, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36,
igr1= 775, 776,
&end
#
# 54 LYS QG 56 HID HE1 5.81
&rst
ixpk= 0, nxpk= 0, iat= -1, 810, r1= 1.30, r2= 1.80, r3= 6.52, r4= 7.02,
igr1= 775, 776,
&end
#
# 56 HID H 56 HID QB 3.45
&rst
ixpk= 0, nxpk= 0, iat= 800, -1, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37,
igr2= 804, 805,
&end
#
# 56 HID QB 57 SER H 3.25
&rst
ixpk= 0, nxpk= 0, iat= -1, 817, r1= 1.30, r2= 1.80, r3= 3.65, r4= 4.15,
igr1= 804, 805,
&end
#
# 57 SER H 57 SER QB 3.12
&rst
ixpk= 0, nxpk= 0, iat= 817, -1, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,
igr2= 821, 822,
&end
#
# 57 SER HA 58 SER QB 4.87
&rst
ixpk= 0, nxpk= 0, iat= 819, -1, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
igr2= 832, 833,
&end
#
# 57 SER QB 58 SER H 3.12
&rst
ixpk= 0, nxpk= 0, iat= -1, 828, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,
igr1= 821, 822,
&end
#
# 58 SER H 58 SER QB 3.16
&rst
ixpk= 0, nxpk= 0, iat= 828, -1, r1= 1.30, r2= 1.80, r3= 3.55, r4= 4.05,
igr2= 832, 833,
&end
#
# 58 SER HA 59 LEU QB 4.56
&rst
ixpk= 0, nxpk= 0, iat= 830, -1, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
igr2= 843, 844,
&end
#
# 58 SER QB 59 LEU H 4.03
&rst
ixpk= 0, nxpk= 0, iat= -1, 839, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02,
igr1= 832, 833,
&end
#
# 58 SER QB 60 SER H 4.36
&rst
ixpk= 0, nxpk= 0, iat= -1, 858, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39,
igr1= 832, 833,
&end
#
# 58 SER QB 61 LYS H 4.10
&rst
ixpk= 0, nxpk= 0, iat= -1, 869, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
igr1= 832, 833,
&end
#
# 59 LEU H 59 LEU QB 3.07
&rst
ixpk= 0, nxpk= 0, iat= 839, -1, r1= 1.30, r2= 1.80, r3= 3.45, r4= 3.95,
igr2= 843, 844,
&end
#
# 59 LEU H 59 LEU QQD 5.83
&rst
ixpk= 0, nxpk= 0, iat= 839, -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr2= 848, 849, 850, 852, 853, 854,
&end
#
# 59 LEU QB 60 SER H 3.43
&rst
ixpk= 0, nxpk= 0, iat= -1, 858, r1= 1.30, r2= 1.80, r3= 3.85, r4= 4.35,
igr1= 843, 844,
&end
#
# 60 SER H 60 SER QB 2.93
&rst
ixpk= 0, nxpk= 0, iat= 858, -1, r1= 1.30, r2= 1.80, r3= 3.29, r4= 3.79,
igr2= 862, 863,
&end
#
# 60 SER HA 63 LYS QB 3.98
&rst
ixpk= 0, nxpk= 0, iat= 860, -1, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97,
igr2= 914, 915,
&end
#
# 60 SER HA 63 LYS QG 4.83
&rst
ixpk= 0, nxpk= 0, iat= 860, -1, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,
igr2= 917, 918,
&end
#
# 60 SER QB 64 GLU H 4.60
&rst
ixpk= 0, nxpk= 0, iat= -1, 932, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
igr1= 862, 863,
&end
#
# 61 LYS H 61 LYS QB 2.85
&rst
ixpk= 0, nxpk= 0, iat= 869, -1, r1= 1.30, r2= 1.80, r3= 3.20, r4= 3.70,
igr2= 873, 874,
&end
#
# 61 LYS H 61 LYS QG 4.36
&rst
ixpk= 0, nxpk= 0, iat= 869, -1, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39,
igr2= 876, 877,
&end
#
# 61 LYS H 62 ILE QG1 5.81
&rst
ixpk= 0, nxpk= 0, iat= 869, -1, r1= 1.30, r2= 1.80, r3= 6.52, r4= 7.02,
igr2= 901, 902,
&end
#
# 61 LYS HA 61 LYS QB 2.62
&rst
ixpk= 0, nxpk= 0, iat= 871, -1, r1= 1.30, r2= 1.80, r3= 2.94, r4= 3.44,
igr2= 873, 874,
&end
#
# 61 LYS QB 61 LYS QE 4.55
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.73, r4= 6.23,
igr1= 873, 874,
igr2= 882, 883,
&end
#
# 61 LYS QB 62 ILE H 3.54
&rst
ixpk= 0, nxpk= 0, iat= -1, 891, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47,
igr1= 873, 874,
&end
#
# 61 LYS QB 63 LYS H 4.19
&rst
ixpk= 0, nxpk= 0, iat= -1, 910, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,
igr1= 873, 874,
&end
#
# 61 LYS QD 62 ILE H 5.81
&rst
ixpk= 0, nxpk= 0, iat= -1, 891, r1= 1.30, r2= 1.80, r3= 6.52, r4= 7.02,
igr1= 879, 880,
&end
#
# 62 ILE H 62 ILE QG1 3.62
&rst
ixpk= 0, nxpk= 0, iat= 891, -1, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56,
igr2= 901, 902,
&end
#
# 62 ILE H 63 LYS QG 5.81
&rst
ixpk= 0, nxpk= 0, iat= 891, -1, r1= 1.30, r2= 1.80, r3= 6.52, r4= 7.02,
igr2= 917, 918,
&end
#
# 62 ILE QG1 63 LYS H 5.81
&rst
ixpk= 0, nxpk= 0, iat= -1, 910, r1= 1.30, r2= 1.80, r3= 6.52, r4= 7.02,
igr1= 901, 902,
&end
#
# 62 ILE QD1 63 LYS QG 5.18
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.98, r4= 7.48,
igr1= 904, 905, 906,
igr2= 917, 918,
&end
#
# 62 ILE QD1 63 LYS QE 5.92
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.98, r4= 8.48,
igr1= 904, 905, 906,
igr2= 923, 924,
&end
#
# 63 LYS H 63 LYS QB 3.11
&rst
ixpk= 0, nxpk= 0, iat= 910, -1, r1= 1.30, r2= 1.80, r3= 3.49, r4= 3.99,
igr2= 914, 915,
&end
#
# 63 LYS H 63 LYS QG 4.33
&rst
ixpk= 0, nxpk= 0, iat= 910, -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
igr2= 917, 918,
&end
#
# 63 LYS HA 63 LYS QD 4.87
&rst
ixpk= 0, nxpk= 0, iat= 912, -1, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
igr2= 920, 921,
&end
#
# 63 LYS QB 63 LYS QG 2.22
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,
igr1= 914, 915,
igr2= 917, 918,
&end
#
# 63 LYS QB 64 GLU H 3.42
&rst
ixpk= 0, nxpk= 0, iat= -1, 932, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34,
igr1= 914, 915,
&end
#
# 63 LYS QG 64 GLU H 5.21
&rst
ixpk= 0, nxpk= 0, iat= -1, 932, r1= 1.30, r2= 1.80, r3= 5.85, r4= 6.35,
igr1= 917, 918,
&end
#
# 64 GLU H 64 GLU QB 2.94
&rst
ixpk= 0, nxpk= 0, iat= 932, -1, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,
igr2= 936, 937,
&end
#
# 64 GLU H 64 GLU QG 4.99
&rst
ixpk= 0, nxpk= 0, iat= 932, -1, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,
igr2= 939, 940,
&end
#
# 64 GLU HA 64 GLU QB 2.62
&rst
ixpk= 0, nxpk= 0, iat= 934, -1, r1= 1.30, r2= 1.80, r3= 2.94, r4= 3.44,
igr2= 936, 937,
&end
#
# 64 GLU QG 65 VAL QQG 5.45
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.25, r4= 8.75,
igr1= 939, 940,
igr2= 953, 954, 955, 957, 958, 959,
&end
#
# 65 VAL QQG 66 LYS H 5.26
&rst
ixpk= 0, nxpk= 0, iat= -1, 963, r1= 1.30, r2= 1.80, r3= 7.09, r4= 7.59,
igr1= 953, 954, 955, 957, 958, 959,
&end
#
# 66 LYS H 66 LYS QB 3.12
&rst
ixpk= 0, nxpk= 0, iat= 963, -1, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,
igr2= 967, 968,
&end
#
# 66 LYS HA 67 PRO QD 3.37
&rst
ixpk= 0, nxpk= 0, iat= 965, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr2= 986, 987,
&end
#
# 66 LYS QB 67 PRO QD 4.64
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.85, r4= 6.35,
igr1= 967, 968,
igr2= 986, 987,
&end
#
# 67 PRO QB 70 GLN H 4.90
&rst
ixpk= 0, nxpk= 0, iat= -1,1029, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
igr1= 992, 993,
&end
#
# 68 ILE H 68 ILE QG1 4.80
&rst
ixpk= 0, nxpk= 0, iat= 999, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr2=1009,1010,
&end
#
# 70 GLN QB 70 GLN QG 2.23
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 2.81, r4= 3.31,
igr1=1033,1034,
igr2=1036,1037,
&end
#
# 71 LYS QB 71 LYS QG 2.36
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 2.97, r4= 3.47,
igr1=1050,1051,
igr2=1053,1054,
&end
#
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