NMR Restraints Grid

Result table
 (Save to zip file containing files for each block)

image	mrblock_id	pdb_id	bmrb_id	cing	stage	position	program	type	subtype	subsubtype
	543502	2lhn	17858	cing	1-original	1	AMBER	distance	NOE	simple

#   14  PHE QD  (17  HIS QB  or  18  CYS QB )  ABAD  factor= 1.41372  4.63
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.54552, r4= 7.25238,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 201,209,
igr2= 238,239,256,255,
&end
#
#   25  TYR QD  (12  CYS QB  or  10  GLU QG )  ABCB  factor= 1.41372  4.11
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.81039, r4= 6.51725,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 375,384,
igr2= 166,165,136,137,
&end
#
#   25  TYR QE  (8  SER QB  or  12  CYS HA )  ABCB  factor= 1.34752  4.88
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.57591, r4= 7.24967,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 377,382,
igr2= 103,104,163,
&end
#
#   25  TYR QD  (8  SER QB  or  12  CYS HA )  ABCB  factor= 1.34752  4.41
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.94257, r4= 6.61633,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 375,384,
igr2= 103,104,163,
&end
#
#   25  TYR QD  (11  GLN H  or  10  GLU H )  ABCB  factor= 1.25888  4.32
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.43838, r4= 6.06782,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 375,384,
igr2= 144,129,
&end
#
#   25  TYR QD  (11  GLN H  or  9  LEU H )  ABCB  factor= 1.25888  4.32
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.43838, r4= 6.06782,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 375,384,
igr2= 144,110,
&end
#
#   65  TYR QD  (64  ILE QG1  or  64  ILE QG2 )  ABCB  factor= 1.46758  4.27
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.26655, r4= 7.00034,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 997,1006,
igr2= 980,981,976,977,978,
&end
#
#   32  ILE H  (32  ILE QD1  or  32  ILE QG1 )  ABAD  factor= 1.308  3.65
 &rst iat= 491, -1, r1= 0, r2= 0, r3= 4.7742, r4= 5.4282,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 504,505,506,501,502,
&end
#
#   69  ARG H  (69  ARG QD  or  68  PHE QB )  ABCA  factor= 1.26  3.09
 &rst iat= 1059, -1, r1= 0, r2= 0, r3= 3.8934, r4= 4.5234,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1069,1070,1043,1044,
&end
#
#   29  ARG H  (29  ARG QB  or  29  ARG QG )  ABAD  factor= 1.26  3.29
 &rst iat= 439, -1, r1= 0, r2= 0, r3= 4.1454, r4= 4.7754,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 443,444,446,447,
&end
#
#   60  ASN H  (60  ASN QD2  or  61  CYS H )  ABAD  factor= 1.201  2.33139
 &rst iat= 910, -1, r1= 0, r2= 0, r3= 3.3628, r4= 3.9633,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 919,920,924,
&end
#
#   32  ILE H  (32  ILE HA  or  30  SER QB )  ABCA  factor= 1.201  3.59
 &rst iat= 491, -1, r1= 0, r2= 0, r3= 4.31159, r4= 4.91209,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 493,467,468,
&end
#
#   48  GLY H  (32  ILE QG2  or  32  ILE QD1 )  ABCB  factor= 1.348  5.84
 &rst iat= 735,-1, r1= 0, r2= 0, r3= 7.87232, r4= 8.54632,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 497,498,499,504,505,506,
&end
#
#   36  GLU H  (49  HIS HD2  or  40  CYS H )  ABAD  factor= 1.122  4.92
 &rst iat= 561, -1, r1= 0, r2= 0, r3= 5.52024, r4= 6.08124,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 755,607,
&end
#
#   26  ARG H  (10  GLU QB  or  11  GLN QB )  ABCB  factor= 1.26  4.5
 &rst iat= 388,-1, r1= 0, r2= 0, r3= 5.67, r4= 6.3,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 133,134,148,149,
&end
#
#   65  TYR H  (64  ILE QG2  or  64  ILE QD1 )  ABCB  factor= 1.348  4.57
 &rst iat= 989,-1, r1= 0, r2= 0, r3= 6.16036, r4= 6.83436,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 976,977,978,983,984,985,
&end
#
#   10  GLU H  (25  TYR HA  or  8  SER HA )  ABCA  factor= 1.122  4.63
 &rst iat= 129, -1, r1= 0, r2= 0, r3= 5.19486, r4= 5.75586,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 369,101,
&end
#
#   52  ASN H  (53  GLU H  or  51  ILE H )  ABCA  factor= 1.122  4.59
 &rst iat= 792, -1, r1= 0, r2= 0, r3= 5.14998, r4= 5.71098,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 806,773,
&end
#
#   26  ARG H  (10  GLU QB  or  11  GLN QB )  ABCB  factor= 1.26  4.84
 &rst iat= 388,-1, r1= 0, r2= 0, r3= 6.0984, r4= 6.7284,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 133,134,148,149,
&end
#
#   11  GLN H  (51  ILE QG2  or  51  ILE QG1 )  ABAD  factor= 1.308  5.5
 &rst iat= 144, -1, r1= 0, r2= 0, r3= 7.194, r4= 7.848,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 779,780,781,783,784,
&end
#
#   66  CYS H  (64  ILE QD1  or  64  ILE QG2 )  ABCB  factor= 1.348  5.89
 &rst iat= 1010,-1, r1= 0, r2= 0, r3= 7.93972, r4= 8.61372,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 983,984,985,976,977,978,
&end
#
#   51  ILE H  (53  GLU QB  or  50  PRO QG )  ABCA  factor= 1.26  4.77
 &rst iat= 773, -1, r1= 0, r2= 0, r3= 6.0102, r4= 6.6402,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 810,811,763,764,
&end
#
#   51  ILE H  (53  GLU QB  or  67  LEU QB )  ABAD  factor= 1.26  4.77
 &rst iat= 773, -1, r1= 0, r2= 0, r3= 6.0102, r4= 6.6402,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 810,811,1024,1025,
&end
#
#   61  CYS H  (57  PHE QD  or  70  HIS HD2 )  ABBD  factor= 1.201  4.33
 &rst iat= 924,-1, r1= 0, r2= 0, r3= 5.20033, r4= 5.80083,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 875,883,1096,
&end
#
#   34  CYS H  (47  PHE QB  or  33  MET QG )  ABCA  factor= 1.26  4.2
 &rst iat= 527, -1, r1= 0, r2= 0, r3= 5.292, r4= 5.922,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 719,720,517,518,
&end
#
#   59  VAL H  (70  HIS QB  or  57  PHE QB )  ABCA  factor= 1.26  5.17
 &rst iat= 894, -1, r1= 0, r2= 0, r3= 6.5142, r4= 7.1442,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1087,1088,871,872,
&end
#
#   45  CYS H  (42  ARG QB  or  42  ARG QG )  ABCB  factor= 1.26  3.94
 &rst iat= 686,-1, r1= 0, r2= 0, r3= 4.9644, r4= 5.5944,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 635,636,638,639,
&end
#
#   70  HIS H  (71  PRO QD  or  69  ARG QD )  ABCA  factor= 1.26  4.76
 &rst iat= 1083, -1, r1= 0, r2= 0, r3= 5.9976, r4= 6.6276,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1101,1102,1069,1070,
&end
#
#   46  LEU QD  (42  ARG QG  or  42  ARG QB )  ABCB  factor= 1.69848  5.13
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 8.7132, r4= 9.56244,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 705,706,707,709,710,711,
igr2= 638,639,635,636,
&end
#
#   43  ILE QD1  (6  GLU QB  or  7  LYS QB )  ABCB  factor= 1.51326  4.29
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.49189, r4= 7.24852,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 668,669,670,
igr2= 66,67,81,82,
&end
#
#   67  LEU QD  (27  HIS QB  or  49  HIS QB )  ABCB  factor= 1.69848  5.34
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 9.06988, r4= 9.91912,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1029,1030,1031,1033,1034,1035,
igr2= 416,417,746,747,
&end
#
#   45  CYS HA  (42  ARG QG  or  42  ARG QB )  ABCB  factor= 1.26  4.35
 &rst iat= 688,-1, r1= 0, r2= 0, r3= 5.481, r4= 6.111,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 638,639,635,636,
&end
#
#   77  PRO QD  (64  ILE QG1  or  76  LEU QD )  ABCB  factor= 1.58651  4.74
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 7.52005, r4= 8.3133,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1195,1196,
igr2= 980,981,1184,1185,1186,1188,1189,1190,
&end
#
#   67  LEU QD  (26  ARG QB  or  29  ARG QG )  ABCB  factor= 1.69848  5.38
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 9.13782, r4= 9.98706,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1029,1030,1031,1033,1034,1035,
igr2= 392,393,446,447,
&end
#
#   46  LEU QD  (29  ARG QG  or  29  ARG QB )  ABCB  factor= 1.69848  4.34
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 7.3714, r4= 8.22064,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 705,706,707,709,710,711,
igr2= 446,447,443,444,
&end
#
#   75  VAL QG  (76  LEU HG  or  76  LEU QB )  ABAD  factor= 1.61895  5.15
 &rst iat= -1,-1, r1= 0, r2= 0, r3= 8.33758, r4= 9.14706,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1165,1166,1167,1169,1170,1171,
igr2= 1182,1179,1180,
&end
#
#   77  PRO QD  (64  ILE QD1  or  64  ILE QG2 )  ABCB  factor= 1.51246  4.83
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 7.30516, r4= 8.06139,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1195,1196,
igr2= 983,984,985,976,977,978,
&end
#
#   77  PRO QD  (64  ILE QD1  or  64  ILE QG1 )  ABCB  factor= 1.46758  4.83
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 7.08839, r4= 7.82218,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1195,1196,
igr2= 983,984,985,980,981,
&end
#
#   43  ILE QD1  (45  CYS QB  or  26  ARG QD )  ABCA  factor= 1.51326  5.76
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 8.71638, r4= 9.47301,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 668,669,670,
igr2= 691,690,398,399,
&end
#
#   34  CYS HA  (33  MET H  or  47  PHE H )  ABBD  factor= 1.122  5.06
 &rst iat= 529, -1, r1= 0, r2= 0, r3= 5.67732, r4= 6.23832,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 510,715,
&end
#
#   34  CYS HA  (35  ARG QB  or  33  MET QB )  ABCA  factor= 1.26  4.55
 &rst iat= 529, -1, r1= 0, r2= 0, r3= 5.733, r4= 6.363,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 541,542,514,515,
&end
#
#   76  LEU QD  (77  PRO QB  or  74  ARG QB )  ABCA  factor= 1.69848  5.35
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 9.08687, r4= 9.93611,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1184,1185,1186,1188,1189,1190,
igr2= 1201,1202,1139,1140,
&end
#
#   49  HIS HA  (50  PRO QD  or  48  GLY QA )  ABCA  factor= 1.26  4.16
 &rst iat= 744, -1, r1= 0, r2= 0, r3= 5.2416, r4= 5.8716,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 760,761,737,738,
&end
#
#   67  LEU QD  (51  ILE QG2  or  51  ILE QG1 )  ABCB  factor= 1.76318  5.95
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 10.4909, r4= 11.3725,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1029,1030,1031,1033,1034,1035,
igr2= 779,780,781,783,784,
&end
#
#   76  LEU QD  (64  ILE QD1  or  64  ILE QG2 )  ABCB  factor= 1.8171  4.92
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 8.94015, r4= 9.8487,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1184,1185,1186,1188,1189,1190,
igr2= 983,984,985,976,977,978,
&end
#
#   28  ALA QB  (67  LEU QB  or  29  ARG QB )  ABAD  factor= 1.51326  5.53
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 8.36833, r4= 9.12496,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 433,434,435,
igr2= 1024,1025,443,444,
&end
#
#   28  ALA QB  (67  LEU QB  or  29  ARG QG )  ABAD  factor= 1.51326  5.53
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 8.36833, r4= 9.12496,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 433,434,435,
igr2= 1024,1025,446,447,
&end
#
#   75  VAL QG  (77  PRO HA  or  74  ARG HA )  ABCA  factor= 1.51246  5.51
 &rst iat= -1,-1, r1= 0, r2= 0, r3= 8.33363, r4= 9.08986,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1165,1166,1167,1169,1170,1171,
igr2= 1204,1137,
&end
#
#   67  LEU QD  (33  MET QE  or  11  GLN QB )  ABCB  factor= 1.76318  3.9
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.87642, r4= 7.75801,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1029,1030,1031,1033,1034,1035,
igr2= 521,522,523,148,149,
&end
#
#   34  CYS QB  (47  PHE QE  or  49  HIS HD2 )  ABAD  factor= 1.34752  4.95
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.67023, r4= 7.34399,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 532,531,
igr2= 725,729,755,
&end
#
#   49  HIS QB  (48  GLY QA  or  50  PRO QD )  ABBD  factor= 1.41372  5.5
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 7.77546, r4= 8.48232,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 746,747,
igr2= 737,738,760,761,
&end
#
#   77  PRO QD  (64  ILE QD1  or  64  ILE QG1 )  ABCB  factor= 1.46758  5.29
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 7.76348, r4= 8.49727,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1195,1196,
igr2= 983,984,985,980,981,
&end
#
#   77  PRO QD  (64  ILE QD1  or  64  ILE QG2 )  ABCB  factor= 1.51246  5.29
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 8.00089, r4= 8.75712,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1195,1196,
igr2= 983,984,985,976,977,978,
&end
#
#   51  ILE QD1  (67  LEU QB  or  11  GLN QB )  ABCA  factor= 1.51326  4.82
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 7.29391, r4= 8.05054,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 786,787,788,
igr2= 1024,1025,148,149,
&end
#
#   77  PRO QD  (64  ILE QG1  or  76  LEU QD )  ABCB  factor= 1.58651  4.82
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 7.64697, r4= 8.44022,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1195,1196,
igr2= 980,981,1184,1185,1186,1188,1189,1190,
&end
#
#   71  PRO QD  (72  PRO QD  or  59  VAL HA )  ABCA  factor= 1.34752  4.83
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.50853, r4= 7.18229,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1101,1102,
igr2= 1115,1116,896,
&end
#
#   59  VAL QG  (74  ARG QB  or  72  PRO QB )  ABAD  factor= 1.69848  4.74
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 8.0508, r4= 8.90004,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 900,901,902,904,905,906,
igr2= 1139,1140,1121,1122,
&end
#
#   59  VAL QG  (74  ARG QB  or  71  PRO QB )  ABAD  factor= 1.69848  4.74
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 8.0508, r4= 8.90004,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 900,901,902,904,905,906,
igr2= 1139,1140,1107,1108,
&end
#
#   43  ILE HB  (7  LYS HA  or  42  ARG HA )  ABCB  factor= 1.122  4.55
 &rst iat= 659, -1, r1= 0, r2= 0, r3= 5.1051, r4= 5.6661,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 79,633,
&end
#
#   76  LEU QD  (77  PRO QB  or  74  ARG QB )  ABCA  factor= 1.69848  5.95
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 10.106, r4= 10.9552,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1184,1185,1186,1188,1189,1190,
igr2= 1201,1202,1139,1140,
&end
#
#   28  ALA QB  (27  HIS QB  or  65  TYR QB )  ABBD  factor= 1.51326  5.78
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 8.74664, r4= 9.50327,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 433,434,435,
igr2= 416,417,993,994,
&end
#
#   28  ALA QB  (27  HIS QB  or  49  HIS QB )  ABBD  factor= 1.51326  5.78
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 8.74664, r4= 9.50327,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 433,434,435,
igr2= 416,417,746,747,
&end
#
#   64  ILE QG2  (77  PRO QG  or  78  GLU QB )  ABAD  factor= 1.51326  4.94
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 7.4755, r4= 8.23213,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 976,977,978,
igr2= 1198,1199,1212,1213,
&end
#
#   59  VAL QG  (58  GLY QA  or  73  GLY QA )  ABBD  factor= 1.69848  5.12
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 8.69622, r4= 9.54546,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 900,901,902,904,905,906,
igr2= 889,890,1130,1131,
&end
#
#   43  ILE QD1  (7  LYS HA  or  42  ARG HA )  ABCB  factor= 1.34752  5.25
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 7.07449, r4= 7.74825,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 668,669,670,
igr2= 79,633,
&end
#
#   16  THR QG2  (29  ARG QB  or  29  ARG QG )  ABAD  factor= 1.51326  4.96
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 7.50577, r4= 8.2624,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 226,227,228,
igr2= 443,444,446,447,
&end
#
#   38  ALA QB  (50  PRO QB  or  11  GLN QB )  ABCA  factor= 1.51326  4.94
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 7.4755, r4= 8.23213,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 587,588,589,
igr2= 766,767,148,149,
&end
#
#   42  ARG HA  (9  LEU QD  or  43  ILE QG2 )  ABBD  factor= 1.442  5.16
 &rst iat= 633,-1, r1= 0, r2= 0, r3= 7.44072, r4= 8.16172,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 119,120,121,123,124,125,661,662,663,
&end
#
#   9  LEU QD  (41  THR H  or  43  ILE H )  ABAD  factor= 1.51246  3.8811
 &rst iat= -1,-1, r1= 0, r2= 0, r3= 8.87812, r4= 9.63434,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 119,120,121,123,124,125,
igr2= 617,655,
&end
#
#   71  PRO QD  (72  PRO QD  or  59  VAL HA )  ABCA  factor= 1.34752  4.57
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.15818, r4= 6.83194,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1101,1102,
igr2= 1115,1116,896,
&end
#
#   51  ILE QG1  (11  GLN QB  or  67  LEU QB )  ABBD  factor= 1.41372  4.98
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 7.04033, r4= 7.74719,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 783,784,
igr2= 148,149,1024,1025,
&end
#
#   33  MET QG  (76  LEU QD  or  67  LEU QD )  ABAD  factor= 1.69759  6.09
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 10.3383, r4= 11.1871,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 517,518,
igr2= 1184,1185,1186,1188,1189,1190,1029,1030,1031,1033,1034,1035,
&end
#
#   34  CYS QB  (47  PHE QE  or  49  HIS HD2 )  ABAD  factor= 1.34752  4.98
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.71066, r4= 7.38442,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 532,531,
igr2= 725,729,755,
&end
#
#   9  LEU QD  (41  THR HB  or  8  SER HA )  ABCA  factor= 1.51246  5.16
 &rst iat= -1,-1, r1= 0, r2= 0, r3= 7.80427, r4= 8.5605,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 119,120,121,123,124,125,
igr2= 621,101,
&end
#
#   51  ILE QD1  (12  CYS QB  or  11  GLN QG )  ABCB  factor= 1.51326  5.44
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 8.23213, r4= 8.98876,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 786,787,788,
igr2= 166,165,151,152,
&end
#
#   67  LEU QD  (11  GLN QG  or  12  CYS QB )  ABCB  factor= 1.69848  5.38
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 9.13782, r4= 9.98706,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1029,1030,1031,1033,1034,1035,
igr2= 151,152,166,165,
&end
#
#  1  GLY QA  2  PRO QD
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 3.88864, r4= 4.51584,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 6,7,
igr2= 12,13,
&end
#
#  2  PRO HA  3  LEU H
 &rst iat= 21,25, r1= 0, r2= 0, r3= 3.1, r4= 3.6,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  2  PRO QB  3  LEU H
 &rst iat= -1,25, r1= 0, r2= 0, r3= 5.824, r4= 6.384,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 18,19,
&end
#
#  2  PRO QD  3  LEU H
 &rst iat= -1,25, r1= 0, r2= 0, r3= 5.824, r4= 6.384,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 12,13,
&end
#
#  2  PRO QG  3  LEU H
 &rst iat= -1,25, r1= 0, r2= 0, r3= 5.6, r4= 6.16,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 15,16,
&end
#
#  3  LEU HA  4  GLY H
 &rst iat= 27,44, r1= 0, r2= 0, r3= 3.2, r4= 3.7,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  4  GLY QA  5  SER H
 &rst iat= -1,51, r1= 0, r2= 0, r3= 5.264, r4= 5.824,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 46,47,
&end
#
#  4  GLY H  5  SER H
 &rst iat= 44,51, r1= 0, r2= 0, r3= 5.2, r4= 5.7,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  5  SER HA  6  GLU H
 &rst iat= 53,62, r1= 0, r2= 0, r3= 3.2, r4= 3.7,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  5  SER QB  6  GLU H
 &rst iat= -1,62, r1= 0, r2= 0, r3= 5.712, r4= 6.272,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 55,56,
&end
#
#  5  SER H  6  GLU H
 &rst iat= 51,62, r1= 0, r2= 0, r3= 5, r4= 5.5,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  6  GLU HA  7  LYS H
 &rst iat= 64,77, r1= 0, r2= 0, r3= 2.6, r4= 3.1,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  6  GLU QB  7  LYS H
 &rst iat= -1,77, r1= 0, r2= 0, r3= 4.48, r4= 5.04,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 66,67,
&end
#
#  6  GLU QB  24  LYS HA
 &rst iat= -1,347, r1= 0, r2= 0, r3= 4.144, r4= 4.704,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 66,67,
&end
#
#  6  GLU QB  25  TYR H
 &rst iat= -1,367, r1= 0, r2= 0, r3= 5.264, r4= 5.824,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 66,67,
&end
#
#  6  GLU QB  26  ARG HA
 &rst iat= -1,390, r1= 0, r2= 0, r3= 5.04, r4= 5.6,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 66,67,
&end
#
#  6  GLU QB  43  ILE QD1
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.7792, r4= 6.4512,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 66,67,
igr2= 668,669,670,
&end
#
#  6  GLU QG  7  LYS H
 &rst iat= -1,77, r1= 0, r2= 0, r3= 5.04, r4= 5.6,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 69,70,
&end
#
#  6  GLU H  7  LYS H
 &rst iat= 62,77, r1= 0, r2= 0, r3= 3.2, r4= 3.7,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  7  LYS HA  8  SER QB
 &rst iat= 79, -1, r1= 0, r2= 0, r3= 5.488, r4= 6.048,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 103,104,
&end
#
#  7  LYS HA  8  SER H
 &rst iat= 79,99, r1= 0, r2= 0, r3= 3.4, r4= 3.9,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  7  LYS HA  43  ILE HB
 &rst iat= 79,659, r1= 0, r2= 0, r3= 4.5, r4= 5,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  7  LYS HA  43  ILE QD1
 &rst iat= 79, -1, r1= 0, r2= 0, r3= 6.24, r4= 6.84,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 668,669,670,
&end
#
#  7  LYS HA  43  ILE QG2
 &rst iat= 79, -1, r1= 0, r2= 0, r3= 5.88, r4= 6.48,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 661,662,663,
&end
#
#  7  LYS QB  8  SER HA
 &rst iat= -1,101, r1= 0, r2= 0, r3= 4.928, r4= 5.488,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 81,82,
&end
#
#  7  LYS QB  8  SER H
 &rst iat= -1,99, r1= 0, r2= 0, r3= 3.92, r4= 4.48,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 81,82,
&end
#
#  7  LYS QB  43  ILE QD1
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.72, r4= 7.392,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 81,82,
igr2= 668,669,670,
&end
#
#  7  LYS QB  43  ILE QG2
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.6448, r4= 6.3168,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 81,82,
igr2= 661,662,663,
&end
#
#  7  LYS QE  43  ILE QG2
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.4512, r4= 7.1232,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 90,91,
igr2= 661,662,663,
&end
#
#  7  LYS QG  8  SER H
 &rst iat= -1,99, r1= 0, r2= 0, r3= 5.152, r4= 5.712,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 84,85,
&end
#
#  7  LYS QG  43  ILE QG2
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.9888, r4= 7.6608,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 84,85,
igr2= 661,662,663,
&end
#
#  7  LYS H  8  SER HA
 &rst iat= 77,101, r1= 0, r2= 0, r3= 4.8, r4= 5.3,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  7  LYS H  8  SER H
 &rst iat= 77,99, r1= 0, r2= 0, r3= 4.4, r4= 4.9,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  7  LYS H  43  ILE QD1
 &rst iat= 77, -1, r1= 0, r2= 0, r3= 6.84, r4= 7.44,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 668,669,670,
&end
#
#  7  LYS H  43  ILE QG2
 &rst iat= 77, -1, r1= 0, r2= 0, r3= 7.44, r4= 8.04,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 661,662,663,
&end
#
#  8  SER HA  9  LEU H
 &rst iat= 101,110, r1= 0, r2= 0, r3= 2.7, r4= 3.2,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  8  SER HA  43  ILE QD1
 &rst iat= 101, -1, r1= 0, r2= 0, r3= 6.48, r4= 7.08,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 668,669,670,
&end
#
#  8  SER QB  9  LEU H
 &rst iat= -1,110, r1= 0, r2= 0, r3= 5.152, r4= 5.712,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 103,104,
&end
#
#  8  SER QB  10  GLU H
 &rst iat= -1,129, r1= 0, r2= 0, r3= 5.376, r4= 5.936,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 103,104,
&end
#
#  8  SER QB  25  TYR HA
 &rst iat= -1,369, r1= 0, r2= 0, r3= 5.04, r4= 5.6,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 103,104,
&end
#
#  8  SER QB  25  TYR QD
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.14304, r4= 5.77024,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 103,104,
igr2= 375,384,
&end
#
#  8  SER QB  25  TYR QE
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.51936, r4= 6.14656,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 103,104,
igr2= 377,382,
&end
#
#  8  SER QB  25  TYR H
 &rst iat= -1,367, r1= 0, r2= 0, r3= 5.488, r4= 6.048,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 103,104,
&end
#
#  8  SER H  9  LEU H
 &rst iat= 99,110, r1= 0, r2= 0, r3= 4.5, r4= 5,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  8  SER H  25  TYR QD
 &rst iat= 99, -1, r1= 0, r2= 0, r3= 6.496, r4= 7.056,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 375,384,
&end
#
#  8  SER H  43  ILE QD1
 &rst iat= 99, -1, r1= 0, r2= 0, r3= 6.12, r4= 6.72,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 668,669,670,
&end
#
#  9  LEU HA  10  GLU H
 &rst iat= 112,129, r1= 0, r2= 0, r3= 4.7, r4= 5.2,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  9  LEU HA  43  ILE QD1
 &rst iat= 112, -1, r1= 0, r2= 0, r3= 5.64, r4= 6.24,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 668,669,670,
&end
#
#  9  LEU HA  43  ILE QG2
 &rst iat= 112, -1, r1= 0, r2= 0, r3= 6.72, r4= 7.32,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 661,662,663,
&end
#
#  9  LEU QB  10  GLU H
 &rst iat= -1,129, r1= 0, r2= 0, r3= 5.488, r4= 6.048,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 114,115,
&end
#
#  9  LEU QD  10  GLU HA
 &rst iat= -1,131, r1= 0, r2= 0, r3= 7.965, r4= 8.64,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 119,120,121,123,124,125,
&end
#
#  9  LEU QD  10  GLU QB
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 8.316, r4= 9.072,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 119,120,121,123,124,125,
igr2= 133,134,
&end
#
#  9  LEU QD  10  GLU H
 &rst iat= -1,129, r1= 0, r2= 0, r3= 8.1, r4= 8.775,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 119,120,121,123,124,125,
&end
#
#  9  LEU QD  26  ARG QD
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 7.8624, r4= 8.6184,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 119,120,121,123,124,125,
igr2= 398,399,
&end
#
#  9  LEU QD  39  ASN HA
 &rst iat= -1,595, r1= 0, r2= 0, r3= 8.1, r4= 8.775,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 119,120,121,123,124,125,
&end
#
#  9  LEU QD  40  CYS H
 &rst iat= -1,607, r1= 0, r2= 0, r3= 7.02, r4= 7.695,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 119,120,121,123,124,125,
&end
#
#  9  LEU QD  41  THR HA
 &rst iat= -1,619, r1= 0, r2= 0, r3= 5.94, r4= 6.615,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 119,120,121,123,124,125,
&end
#
#  9  LEU QD  41  THR HB
 &rst iat= -1,621, r1= 0, r2= 0, r3= 6.615, r4= 7.29,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 119,120,121,123,124,125,
&end
#
#  9  LEU QD  41  THR QG2
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 7.452, r4= 8.262,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 119,120,121,123,124,125,
igr2= 623,624,625,
&end
#
#  9  LEU QD  41  THR H
 &rst iat= -1,617, r1= 0, r2= 0, r3= 7.965, r4= 8.64,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 119,120,121,123,124,125,
&end
#
#  9  LEU QD  42  ARG HA
 &rst iat= -1,633, r1= 0, r2= 0, r3= 7.02, r4= 7.695,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 119,120,121,123,124,125,
&end
#
#  9  LEU QD  42  ARG QB
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 8.6184, r4= 9.3744,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 119,120,121,123,124,125,
igr2= 635,636,
&end
#
#  9  LEU QD  42  ARG H
 &rst iat= -1,631, r1= 0, r2= 0, r3= 7.965, r4= 8.64,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 119,120,121,123,124,125,
&end
#
#  9  LEU QD  43  ILE HA
 &rst iat= -1,657, r1= 0, r2= 0, r3= 5.805, r4= 6.48,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 119,120,121,123,124,125,
&end
#
#  9  LEU QD  43  ILE HB
 &rst iat= -1,659, r1= 0, r2= 0, r3= 6.615, r4= 7.29,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 119,120,121,123,124,125,
&end
#
#  9  LEU QD  43  ILE QD1
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 7.128, r4= 7.938,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 119,120,121,123,124,125,
igr2= 668,669,670,
&end
#
#  9  LEU QD  43  ILE QG1
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 7.4088, r4= 8.1648,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 119,120,121,123,124,125,
igr2= 665,666,
&end
#
#  9  LEU QD  43  ILE QG2
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 8.91, r4= 9.72,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 119,120,121,123,124,125,
igr2= 661,662,663,
&end
#
#  9  LEU QD  43  ILE H
 &rst iat= -1,655, r1= 0, r2= 0, r3= 8.1, r4= 8.775,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 119,120,121,123,124,125,
&end
#
#  9  LEU QD  45  CYS QB
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 9.072, r4= 9.828,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 119,120,121,123,124,125,
igr2= 691,690,
&end
#
#  9  LEU QD  45  CYS H
 &rst iat= -1,686, r1= 0, r2= 0, r3= 7.83, r4= 8.505,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 119,120,121,123,124,125,
&end
#
#  9  LEU HG  41  THR QG2
 &rst iat= 117, -1, r1= 0, r2= 0, r3= 6.84, r4= 7.44,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 623,624,625,
&end
#
#  9  LEU H  43  ILE QD1
 &rst iat= 110, -1, r1= 0, r2= 0, r3= 6.12, r4= 6.72,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 668,669,670,
&end
#
#  10  GLU HA  11  GLN H
 &rst iat= 131,144, r1= 0, r2= 0, r3= 2.6, r4= 3.1,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  10  GLU QB  11  GLN H
 &rst iat= -1,144, r1= 0, r2= 0, r3= 3.472, r4= 4.032,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 133,134,
&end
#
#  10  GLU QB  25  TYR QD
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.14304, r4= 5.77024,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 133,134,
igr2= 375,384,
&end
#
#  10  GLU QB  25  TYR QE
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 4.89216, r4= 5.51936,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 133,134,
igr2= 377,382,
&end
#
#  10  GLU QB  26  ARG H
 &rst iat= -1,388, r1= 0, r2= 0, r3= 5.04, r4= 5.6,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 133,134,
&end
#
#  10  GLU QG  11  GLN H
 &rst iat= -1,144, r1= 0, r2= 0, r3= 3.808, r4= 4.368,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 136,137,
&end
#
#  10  GLU QG  25  TYR QD
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.52288, r4= 7.15008,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 136,137,
igr2= 375,384,
&end
#
#  10  GLU QG  25  TYR QE
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.26848, r4= 5.89568,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 136,137,
igr2= 377,382,
&end
#
#  10  GLU H  25  TYR HA
 &rst iat= 129,369, r1= 0, r2= 0, r3= 4.6, r4= 5.1,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  10  GLU H  25  TYR QD
 &rst iat= 129, -1, r1= 0, r2= 0, r3= 5.6, r4= 6.16,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 375,384,
&end
#
#  10  GLU H  25  TYR QE
 &rst iat= 129, -1, r1= 0, r2= 0, r3= 6.048, r4= 6.608,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 377,382,
&end
#
#  11  GLN HA  12  CYS H
 &rst iat= 146,161, r1= 0, r2= 0, r3= 2.9, r4= 3.4,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  11  GLN HA  26  ARG QB
 &rst iat= 146, -1, r1= 0, r2= 0, r3= 5.04, r4= 5.6,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 392,393,
&end
#
#  11  GLN HA  26  ARG H
 &rst iat= 146,388, r1= 0, r2= 0, r3= 4.4, r4= 4.9,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  11  GLN QB  12  CYS H
 &rst iat= -1,161, r1= 0, r2= 0, r3= 3.92, r4= 4.48,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 148,149,
&end
#
#  11  GLN QB  28  ALA QB
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 7.5264, r4= 8.1984,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 148,149,
igr2= 433,434,435,
&end
#
#  11  GLN QB  51  ILE QD1
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.8544, r4= 7.5264,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 148,149,
igr2= 786,787,788,
&end
#
#  11  GLN QB  51  ILE QG1
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.272, r4= 6.8992,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 148,149,
igr2= 783,784,
&end
#
#  11  GLN QB  51  ILE QG2
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.4512, r4= 7.1232,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 148,149,
igr2= 779,780,781,
&end
#
#  11  GLN QB  67  LEU QD
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.804, r4= 7.56,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 148,149,
igr2= 1029,1030,1031,1033,1034,1035,
&end
#
#  11  GLN QE2  12  CYS H
 &rst iat= -1,161, r1= 0, r2= 0, r3= 5.712, r4= 6.272,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 156,157,
&end
#
#  11  GLN QE2  27  HIS HA
 &rst iat= -1,414, r1= 0, r2= 0, r3= 5.6, r4= 6.16,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 156,157,
&end
#
#  11  GLN QE2  27  HIS H
 &rst iat= -1,412, r1= 0, r2= 0, r3= 5.6, r4= 6.16,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 156,157,
&end
#
#  11  GLN QE2  28  ALA QB
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.72, r4= 7.392,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 156,157,
igr2= 433,434,435,
&end
#
#  11  GLN QE2  28  ALA H
 &rst iat= -1,429, r1= 0, r2= 0, r3= 3.696, r4= 4.256,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 156,157,
&end
#
#  11  GLN QE2  51  ILE QD1
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 7.7952, r4= 8.4672,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 156,157,
igr2= 786,787,788,
&end
#
#  11  GLN QG  12  CYS H
 &rst iat= -1,161, r1= 0, r2= 0, r3= 5.488, r4= 6.048,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 151,152,
&end
#
#  11  GLN QG  26  ARG HA
 &rst iat= -1,390, r1= 0, r2= 0, r3= 5.152, r4= 5.712,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 151,152,
&end
#
#  11  GLN QG  26  ARG H
 &rst iat= -1,388, r1= 0, r2= 0, r3= 5.264, r4= 5.824,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 151,152,
&end
#
#  11  GLN QG  27  HIS H
 &rst iat= -1,412, r1= 0, r2= 0, r3= 5.6, r4= 6.16,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 151,152,
&end
#
#  11  GLN QG  28  ALA QB
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 8.064, r4= 8.736,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 151,152,
igr2= 433,434,435,
&end
#
#  11  GLN QG  51  ILE QD1
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 7.1232, r4= 7.7952,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 151,152,
igr2= 786,787,788,
&end
#
#  11  GLN QG  67  LEU QD
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 8.1648, r4= 8.9208,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 151,152,
igr2= 1029,1030,1031,1033,1034,1035,
&end
#
#  11  GLN H  12  CYS H
 &rst iat= 144,161, r1= 0, r2= 0, r3= 5, r4= 5.5,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  11  GLN H  25  TYR QD
 &rst iat= 144, -1, r1= 0, r2= 0, r3= 4.816, r4= 5.376,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 375,384,
&end
#
#  11  GLN H  51  ILE QD1
 &rst iat= 144, -1, r1= 0, r2= 0, r3= 6.72, r4= 7.32,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 786,787,788,
&end
#
#  11  GLN H  51  ILE QG1
 &rst iat= 144, -1, r1= 0, r2= 0, r3= 5.824, r4= 6.384,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 783,784,
&end
#
#  11  GLN H  51  ILE QG2
 &rst iat= 144, -1, r1= 0, r2= 0, r3= 6.48, r4= 7.08,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 779,780,781,
&end
#
#  12  CYS HA  13  LYS QB
 &rst iat= 163, -1, r1= 0, r2= 0, r3= 5.152, r4= 5.712,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 175,176,
&end
#
#  12  CYS HA  13  LYS QG
 &rst iat= 163, -1, r1= 0, r2= 0, r3= 5.936, r4= 6.496,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 178,179,
&end
#
#  12  CYS HA  13  LYS H
 &rst iat= 163,171, r1= 0, r2= 0, r3= 2.7, r4= 3.2,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  12  CYS HA  14  PHE H
 &rst iat= 163,193, r1= 0, r2= 0, r3= 4.9, r4= 5.4,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  12  CYS HA  15  GLY H
 &rst iat= 163,213, r1= 0, r2= 0, r3= 6, r4= 6.5,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  12  CYS HA  25  TYR QD
 &rst iat= 163, -1, r1= 0, r2= 0, r3= 6.048, r4= 6.608,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 375,384,
&end
#
#  12  CYS QB  13  LYS H
 &rst iat= -1,171, r1= 0, r2= 0, r3= 5.824, r4= 6.384,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 166,165,
&end
#
#  12  CYS QB  14  PHE H
 &rst iat= -1,193, r1= 0, r2= 0, r3= 5.712, r4= 6.272,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 166,165,
&end
#
#  12  CYS QB  15  GLY H
 &rst iat= -1,213, r1= 0, r2= 0, r3= 4.032, r4= 4.592,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 166,165,
&end
#
#  12  CYS QB  25  TYR QD
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.14304, r4= 5.77024,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 166,165,
igr2= 375,384,
&end
#
#  12  CYS QB  26  ARG H
 &rst iat= -1,388, r1= 0, r2= 0, r3= 5.152, r4= 5.712,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 166,165,
&end
#
#  12  CYS QB  27  HIS HA
 &rst iat= -1,414, r1= 0, r2= 0, r3= 5.152, r4= 5.712,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 166,165,
&end
#
#  12  CYS QB  27  HIS HD2
 &rst iat= -1,425, r1= 0, r2= 0, r3= 4.032, r4= 4.592,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 166,165,
&end
#
#  12  CYS QB  27  HIS H
 &rst iat= -1,412, r1= 0, r2= 0, r3= 5.376, r4= 5.936,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 166,165,
&end
#
#  12  CYS QB  51  ILE QD1
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 7.2576, r4= 7.9296,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 166,165,
igr2= 786,787,788,
&end
#
#  12  CYS H  25  TYR QB
 &rst iat= 161, -1, r1= 0, r2= 0, r3= 5.264, r4= 5.824,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 371,372,
&end
#
#  12  CYS H  25  TYR QD
 &rst iat= 161, -1, r1= 0, r2= 0, r3= 6.16, r4= 6.72,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 375,384,
&end
#
#  12  CYS H  25  TYR H
 &rst iat= 161,367, r1= 0, r2= 0, r3= 4.9, r4= 5.4,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  12  CYS H  26  ARG H
 &rst iat= 161,388, r1= 0, r2= 0, r3= 4.6, r4= 5.1,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  12  CYS H  27  HIS HA
 &rst iat= 161,414, r1= 0, r2= 0, r3= 5, r4= 5.5,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  13  LYS HA  14  PHE H
 &rst iat= 173,193, r1= 0, r2= 0, r3= 4.4, r4= 4.9,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  13  LYS HA  51  ILE QD1
 &rst iat= 173, -1, r1= 0, r2= 0, r3= 5.64, r4= 6.24,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 786,787,788,
&end
#
#  13  LYS HA  51  ILE QG2
 &rst iat= 173, -1, r1= 0, r2= 0, r3= 6.24, r4= 6.84,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 779,780,781,
&end
#
#  13  LYS QB  14  PHE QD
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.14656, r4= 6.77376,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 175,176,
igr2= 201,209,
&end
#
#  13  LYS QB  14  PHE H
 &rst iat= -1,193, r1= 0, r2= 0, r3= 4.816, r4= 5.376,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 175,176,
&end
#
#  13  LYS QD  14  PHE QD
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.77024, r4= 6.39744,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 181,182,
igr2= 201,209,
&end
#
#  13  LYS QE  14  PHE QD
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.6448, r4= 6.272,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 184,185,
igr2= 201,209,
&end
#
#  13  LYS QE  51  ILE QG2
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.72, r4= 7.392,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 184,185,
igr2= 779,780,781,
&end
#
#  13  LYS QG  14  PHE H
 &rst iat= -1,193, r1= 0, r2= 0, r3= 5.488, r4= 6.048,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 178,179,
&end
#
#  13  LYS QG  51  ILE QG2
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.8544, r4= 7.5264,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 178,179,
igr2= 779,780,781,
&end
#
#  14  PHE HA  15  GLY H
 &rst iat= 195,213, r1= 0, r2= 0, r3= 4.5, r4= 5,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  14  PHE QB  15  GLY H
 &rst iat= -1,213, r1= 0, r2= 0, r3= 5.264, r4= 5.824,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 197,198,
&end
#
#  14  PHE QB  17  HIS HD2
 &rst iat= -1,247, r1= 0, r2= 0, r3= 5.152, r4= 5.712,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 197,198,
&end
#
#  14  PHE QB  17  HIS H
 &rst iat= -1,234, r1= 0, r2= 0, r3= 5.6, r4= 6.16,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 197,198,
&end
#
#  14  PHE QB  18  CYS HA
 &rst iat= -1,253, r1= 0, r2= 0, r3= 5.6, r4= 6.16,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 197,198,
&end
#
#  14  PHE QB  18  CYS QB
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.26848, r4= 5.89568,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 197,198,
igr2= 256,255,
&end
#
#  14  PHE QB  18  CYS H
 &rst iat= -1,251, r1= 0, r2= 0, r3= 4.368, r4= 4.928,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 197,198,
&end
#
#  14  PHE QD  15  GLY H
 &rst iat= -1,213, r1= 0, r2= 0, r3= 5.6, r4= 6.16,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 201,209,
&end
#
#  14  PHE QD  17  HIS QB
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.77024, r4= 6.39744,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 201,209,
igr2= 238,239,
&end
#
#  14  PHE QD  18  CYS HA
 &rst iat= -1,253, r1= 0, r2= 0, r3= 6.048, r4= 6.608,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 201,209,
&end
#
#  14  PHE QD  18  CYS QB
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.89568, r4= 6.52288,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 201,209,
igr2= 256,255,
&end
#
#  14  PHE QD  19  THR QG2
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 8.3328, r4= 9.0048,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 201,209,
igr2= 267,268,269,
&end
#
#  14  PHE H  15  GLY QA
 &rst iat= 193, -1, r1= 0, r2= 0, r3= 5.264, r4= 5.824,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 215,216,
&end
#
#  14  PHE H  15  GLY H
 &rst iat= 193,213, r1= 0, r2= 0, r3= 2.8, r4= 3.3,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  14  PHE H  18  CYS HA
 &rst iat= 193,253, r1= 0, r2= 0, r3= 4.7, r4= 5.2,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  14  PHE H  27  HIS HD2
 &rst iat= 193,425, r1= 0, r2= 0, r3= 4.9, r4= 5.4,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  15  GLY QA  16  THR QG2
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 8.1984, r4= 8.8704,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 215,216,
igr2= 226,227,228,
&end
#
#  15  GLY QA  27  HIS HD2
 &rst iat= -1,425, r1= 0, r2= 0, r3= 4.928, r4= 5.488,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 215,216,
&end
#
#  15  GLY QA  28  ALA QB
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 7.1232, r4= 7.7952,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 215,216,
igr2= 433,434,435,
&end
#
#  15  GLY QA  28  ALA H
 &rst iat= -1,429, r1= 0, r2= 0, r3= 6.048, r4= 6.608,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 215,216,
&end
#
#  15  GLY QA  67  LEU QD
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 7.56, r4= 8.316,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 215,216,
igr2= 1029,1030,1031,1033,1034,1035,
&end
#
#  15  GLY H  27  HIS HD2
 &rst iat= 213,425, r1= 0, r2= 0, r3= 4.4, r4= 4.9,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  15  GLY H  67  LEU QD
 &rst iat= 213, -1, r1= 0, r2= 0, r3= 8.235, r4= 8.91,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1029,1030,1031,1033,1034,1035,
&end
#
#  16  THR HA  17  HIS H
 &rst iat= 222,234, r1= 0, r2= 0, r3= 3.7, r4= 4.2,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  16  THR HA  18  CYS H
 &rst iat= 222,251, r1= 0, r2= 0, r3= 4.4, r4= 4.9,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  16  THR QG2  17  HIS H
 &rst iat= -1,234, r1= 0, r2= 0, r3= 6.96, r4= 7.56,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 226,227,228,
&end
#
#  16  THR QG2  27  HIS QB
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 7.6608, r4= 8.3328,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 226,227,228,
igr2= 416,417,
&end
#
#  16  THR QG2  28  ALA QB
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 7.2, r4= 7.92,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 226,227,228,
igr2= 433,434,435,
&end
#
#  16  THR QG2  29  ARG HA
 &rst iat= -1,441, r1= 0, r2= 0, r3= 5.16, r4= 5.76,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 226,227,228,
&end
#
#  16  THR QG2  29  ARG QB
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.72, r4= 7.392,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 226,227,228,
igr2= 443,444,
&end
#
#  16  THR QG2  29  ARG QD
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.9888, r4= 7.6608,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 226,227,228,
igr2= 449,450,
&end
#
#  16  THR QG2  29  ARG QG
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 7.1232, r4= 7.7952,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 226,227,228,
igr2= 446,447,
&end
#
#  16  THR QG2  67  LEU QD
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 10.044, r4= 10.854,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 226,227,228,
igr2= 1029,1030,1031,1033,1034,1035,
&end
#
#  16  THR H  17  HIS H
 &rst iat= 220,234, r1= 0, r2= 0, r3= 3.7, r4= 4.2,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  17  HIS HA  18  CYS H
 &rst iat= 236,251, r1= 0, r2= 0, r3= 4.1, r4= 4.6,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  17  HIS HA  19  THR QG2
 &rst iat= 236, -1, r1= 0, r2= 0, r3= 6.48, r4= 7.08,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 267,268,269,
&end
#
#  17  HIS QB  18  CYS H
 &rst iat= -1,251, r1= 0, r2= 0, r3= 5.04, r4= 5.6,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 238,239,
&end
#
#  17  HIS HD2  18  CYS HA
 &rst iat= 247,253, r1= 0, r2= 0, r3= 4.6, r4= 5.1,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  17  HIS HD2  19  THR QG2
 &rst iat= 247, -1, r1= 0, r2= 0, r3= 7.44, r4= 8.04,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 267,268,269,
&end
#
#  17  HIS H  18  CYS HA
 &rst iat= 234,253, r1= 0, r2= 0, r3= 5, r4= 5.5,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  17  HIS H  18  CYS QB
 &rst iat= 234, -1, r1= 0, r2= 0, r3= 5.488, r4= 6.048,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 256,255,
&end
#
#  17  HIS H  18  CYS H
 &rst iat= 234,251, r1= 0, r2= 0, r3= 2.9, r4= 3.4,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  18  CYS HA  19  THR QG2
 &rst iat= 253, -1, r1= 0, r2= 0, r3= 6.84, r4= 7.44,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 267,268,269,
&end
#
#  18  CYS HA  19  THR H
 &rst iat= 253,261, r1= 0, r2= 0, r3= 3.1, r4= 3.6,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  18  CYS HA  20  ASN H
 &rst iat= 253,275, r1= 0, r2= 0, r3= 4.4, r4= 4.9,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  18  CYS HA  27  HIS HD2
 &rst iat= 253,425, r1= 0, r2= 0, r3= 4.8, r4= 5.3,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  18  CYS QB  19  THR QG2
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 7.6608, r4= 8.3328,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 256,255,
igr2= 267,268,269,
&end
#
#  18  CYS QB  27  HIS HD2
 &rst iat= -1,425, r1= 0, r2= 0, r3= 4.256, r4= 4.816,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 256,255,
&end
#
#  18  CYS H  19  THR QG2
 &rst iat= 251, -1, r1= 0, r2= 0, r3= 5.88, r4= 6.48,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 267,268,269,
&end
#
#  18  CYS H  19  THR H
 &rst iat= 251,261, r1= 0, r2= 0, r3= 5.2, r4= 5.7,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  19  THR HA  20  ASN H
 &rst iat= 263,275, r1= 0, r2= 0, r3= 3.4, r4= 3.9,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  19  THR QG2  20  ASN H
 &rst iat= -1,275, r1= 0, r2= 0, r3= 6.6, r4= 7.2,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 267,268,269,
&end
#
#  19  THR H  20  ASN H
 &rst iat= 261,275, r1= 0, r2= 0, r3= 3.2, r4= 3.7,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  20  ASN HA  21  LYS H
 &rst iat= 277,289, r1= 0, r2= 0, r3= 3.4, r4= 3.9,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  20  ASN QB  23  CYS H
 &rst iat= -1,335, r1= 0, r2= 0, r3= 4.592, r4= 5.152,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 279,280,
&end
#
#  20  ASN QD2  22  ARG QD
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.39744, r4= 7.02464,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 284,285,
igr2= 321,322,
&end
#
#  20  ASN QD2  22  ARG H
 &rst iat= -1,311, r1= 0, r2= 0, r3= 5.824, r4= 6.384,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 284,285,
&end
#
#  20  ASN QD2  23  CYS HA
 &rst iat= -1,337, r1= 0, r2= 0, r3= 5.152, r4= 5.712,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 284,285,
&end
#
#  20  ASN QD2  23  CYS QB
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.14304, r4= 5.77024,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 284,285,
igr2= 340,339,
&end
#
#  20  ASN QD2  24  LYS H
 &rst iat= -1,345, r1= 0, r2= 0, r3= 5.824, r4= 6.384,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 284,285,
&end
#
#  20  ASN H  23  CYS QB
 &rst iat= 275, -1, r1= 0, r2= 0, r3= 5.376, r4= 5.936,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 340,339,
&end
#
#  21  LYS HA  22  ARG H
 &rst iat= 291,311, r1= 0, r2= 0, r3= 3.3, r4= 3.8,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  21  LYS QB  22  ARG H
 &rst iat= -1,311, r1= 0, r2= 0, r3= 5.152, r4= 5.712,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 293,294,
&end
#
#  21  LYS H  22  ARG QG
 &rst iat= 289, -1, r1= 0, r2= 0, r3= 5.824, r4= 6.384,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 318,319,
&end
#
#  22  ARG HA  23  CYS H
 &rst iat= 313,335, r1= 0, r2= 0, r3= 3.2, r4= 3.7,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  22  ARG QB  23  CYS H
 &rst iat= -1,335, r1= 0, r2= 0, r3= 5.04, r4= 5.6,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 315,316,
&end
#
#  22  ARG QG  23  CYS H
 &rst iat= -1,335, r1= 0, r2= 0, r3= 5.488, r4= 6.048,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 318,319,
&end
#
#  22  ARG H  23  CYS QB
 &rst iat= 311, -1, r1= 0, r2= 0, r3= 5.376, r4= 5.936,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 340,339,
&end
#
#  22  ARG H  23  CYS H
 &rst iat= 311,335, r1= 0, r2= 0, r3= 2.9, r4= 3.4,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  23  CYS HA  24  LYS H
 &rst iat= 337,345, r1= 0, r2= 0, r3= 2.7, r4= 3.2,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  23  CYS HA  25  TYR H
 &rst iat= 337,367, r1= 0, r2= 0, r3= 4.4, r4= 4.9,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  23  CYS QB  24  LYS H
 &rst iat= -1,345, r1= 0, r2= 0, r3= 5.376, r4= 5.936,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 340,339,
&end
#
#  23  CYS QB  27  HIS HE1
 &rst iat= -1,421, r1= 0, r2= 0, r3= 3.584, r4= 4.144,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 340,339,
&end
#
#  23  CYS H  24  LYS H
 &rst iat= 335,345, r1= 0, r2= 0, r3= 4.9, r4= 5.4,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  23  CYS H  27  HIS HE1
 &rst iat= 335,421, r1= 0, r2= 0, r3= 4.5, r4= 5,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  24  LYS HA  25  TYR QE
 &rst iat= 347, -1, r1= 0, r2= 0, r3= 5.6, r4= 6.16,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 377,382,
&end
#
#  24  LYS HA  25  TYR H
 &rst iat= 347,367, r1= 0, r2= 0, r3= 3.5, r4= 4,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  24  LYS QB  25  TYR QD
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.02112, r4= 6.64832,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 349,350,
igr2= 375,384,
&end
#
#  24  LYS QB  25  TYR QE
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.6448, r4= 6.272,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 349,350,
igr2= 377,382,
&end
#
#  24  LYS QB  25  TYR H
 &rst iat= -1,367, r1= 0, r2= 0, r3= 5.04, r4= 5.6,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 349,350,
&end
#
#  24  LYS QD  25  TYR QE
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.272, r4= 6.8992,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 355,356,
igr2= 377,382,
&end
#
#  24  LYS QE  25  TYR QE
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.39392, r4= 6.02112,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 358,359,
igr2= 377,382,
&end
#
#  24  LYS QG  25  TYR QD
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 7.5264, r4= 8.1536,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 352,353,
igr2= 375,384,
&end
#
#  24  LYS QG  25  TYR QE
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.77024, r4= 6.39744,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 352,353,
igr2= 377,382,
&end
#
#  24  LYS QG  25  TYR H
 &rst iat= -1,367, r1= 0, r2= 0, r3= 5.264, r4= 5.824,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 352,353,
&end
#
#  24  LYS H  25  TYR QD
 &rst iat= 345, -1, r1= 0, r2= 0, r3= 6.048, r4= 6.608,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 375,384,
&end
#
#  24  LYS H  25  TYR QE
 &rst iat= 345, -1, r1= 0, r2= 0, r3= 4.816, r4= 5.376,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 377,382,
&end
#
#  24  LYS H  25  TYR H
 &rst iat= 345,367, r1= 0, r2= 0, r3= 3.1, r4= 3.6,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  25  TYR HA  26  ARG H
 &rst iat= 369,388, r1= 0, r2= 0, r3= 3.1, r4= 3.6,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  25  TYR QB  26  ARG H
 &rst iat= -1,388, r1= 0, r2= 0, r3= 3.472, r4= 4.032,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 371,372,
&end
#
#  25  TYR QB  27  HIS HE1
 &rst iat= -1,421, r1= 0, r2= 0, r3= 4.704, r4= 5.264,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 371,372,
&end
#
#  25  TYR QD  26  ARG H
 &rst iat= -1,388, r1= 0, r2= 0, r3= 5.152, r4= 5.712,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 375,384,
&end
#
#  25  TYR H  26  ARG H
 &rst iat= 367,388, r1= 0, r2= 0, r3= 4.7, r4= 5.2,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  25  TYR H  27  HIS HE1
 &rst iat= 367,421, r1= 0, r2= 0, r3= 3.8, r4= 4.3,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  26  ARG HA  27  HIS H
 &rst iat= 390,412, r1= 0, r2= 0, r3= 2.8, r4= 3.3,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  26  ARG QB  27  HIS H
 &rst iat= -1,412, r1= 0, r2= 0, r3= 3.808, r4= 4.368,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 392,393,
&end
#
#  26  ARG QB  67  LEU QD
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 8.1648, r4= 8.9208,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 392,393,
igr2= 1029,1030,1031,1033,1034,1035,
&end
#
#  26  ARG QD  43  ILE QD1
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 7.5264, r4= 8.1984,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 398,399,
igr2= 668,669,670,
&end
#
#  26  ARG H  27  HIS H
 &rst iat= 388,412, r1= 0, r2= 0, r3= 4.7, r4= 5.2,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  27  HIS HA  28  ALA QB
 &rst iat= 414, -1, r1= 0, r2= 0, r3= 6.48, r4= 7.08,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 433,434,435,
&end
#
#  27  HIS HA  28  ALA H
 &rst iat= 414,429, r1= 0, r2= 0, r3= 2.8, r4= 3.3,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  27  HIS QB  28  ALA QB
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 7.7952, r4= 8.4672,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 416,417,
igr2= 433,434,435,
&end
#
#  27  HIS QB  28  ALA H
 &rst iat= -1,429, r1= 0, r2= 0, r3= 5.824, r4= 6.384,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 416,417,
&end
#
#  27  HIS QB  67  LEU QD
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 8.0136, r4= 8.7696,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 416,417,
igr2= 1029,1030,1031,1033,1034,1035,
&end
#
#  27  HIS HD2  28  ALA QB
 &rst iat= 425, -1, r1= 0, r2= 0, r3= 7.32, r4= 7.92,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 433,434,435,
&end
#
#  27  HIS H  28  ALA H
 &rst iat= 412,429, r1= 0, r2= 0, r3= 4.6, r4= 5.1,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  28  ALA HA  29  ARG H
 &rst iat= 431,439, r1= 0, r2= 0, r3= 2.8, r4= 3.3,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  28  ALA HA  30  SER H
 &rst iat= 431,463, r1= 0, r2= 0, r3= 4.5, r4= 5,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  28  ALA HA  46  LEU HA
 &rst iat= 431,698, r1= 0, r2= 0, r3= 5, r4= 5.5,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  28  ALA HA  46  LEU QD
 &rst iat= 431, -1, r1= 0, r2= 0, r3= 7.695, r4= 8.37,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 705,706,707,709,710,711,
&end
#
#  28  ALA QB  29  ARG HA
 &rst iat= -1,441, r1= 0, r2= 0, r3= 6.36, r4= 6.96,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 433,434,435,
&end
#
#  28  ALA QB  29  ARG QG
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 7.9296, r4= 8.6016,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 433,434,435,
igr2= 446,447,
&end
#
#  28  ALA QB  29  ARG H
 &rst iat= -1,439, r1= 0, r2= 0, r3= 4.92, r4= 5.52,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 433,434,435,
&end
#
#  28  ALA QB  30  SER H
 &rst iat= -1,463, r1= 0, r2= 0, r3= 5.04, r4= 5.64,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 433,434,435,
&end
#
#  28  ALA QB  46  LEU HA
 &rst iat= -1,698, r1= 0, r2= 0, r3= 6.84, r4= 7.44,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 433,434,435,
&end
#
#  28  ALA QB  46  LEU QD
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 9.882, r4= 10.692,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 433,434,435,
igr2= 705,706,707,709,710,711,
&end
#
#  28  ALA QB  47  PHE HA
 &rst iat= -1,717, r1= 0, r2= 0, r3= 7.2, r4= 7.8,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 433,434,435,
&end
#
#  28  ALA QB  48  GLY QA
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.9136, r4= 6.5856,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 433,434,435,
igr2= 737,738,
&end
#
#  28  ALA QB  48  GLY H
 &rst iat= -1,735, r1= 0, r2= 0, r3= 7.08, r4= 7.68,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 433,434,435,
&end
#
#  28  ALA QB  49  HIS H
 &rst iat= -1,742, r1= 0, r2= 0, r3= 6.48, r4= 7.08,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 433,434,435,
&end
#
#  28  ALA QB  66  CYS H
 &rst iat= -1,1010, r1= 0, r2= 0, r3= 7.2, r4= 7.8,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 433,434,435,
&end
#
#  28  ALA QB  67  LEU QB
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 7.392, r4= 8.064,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 433,434,435,
igr2= 1024,1025,
&end
#
#  28  ALA QB  67  LEU QD
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 8.748, r4= 9.558,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 433,434,435,
igr2= 1029,1030,1031,1033,1034,1035,
&end
#
#  28  ALA H  29  ARG H
 &rst iat= 429,439, r1= 0, r2= 0, r3= 5.1, r4= 5.6,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  29  ARG HA  30  SER H
 &rst iat= 441,463, r1= 0, r2= 0, r3= 4.6, r4= 5.1,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  29  ARG HA  46  LEU QD
 &rst iat= 441, -1, r1= 0, r2= 0, r3= 7.83, r4= 8.505,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 705,706,707,709,710,711,
&end
#
#  29  ARG QB  30  SER H
 &rst iat= -1,463, r1= 0, r2= 0, r3= 5.04, r4= 5.6,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 443,444,
&end
#
#  29  ARG QB  46  LEU QB
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.02112, r4= 6.64832,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 443,444,
igr2= 700,701,
&end
#
#  29  ARG QB  46  LEU QD
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 7.4088, r4= 8.1648,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 443,444,
igr2= 705,706,707,709,710,711,
&end
#
#  29  ARG QD  46  LEU QD
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 7.1064, r4= 7.8624,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 449,450,
igr2= 705,706,707,709,710,711,
&end
#
#  29  ARG QG  30  SER H
 &rst iat= -1,463, r1= 0, r2= 0, r3= 5.6, r4= 6.16,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 446,447,
&end
#
#  29  ARG QG  46  LEU QD
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.5016, r4= 7.2576,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 446,447,
igr2= 705,706,707,709,710,711,
&end
#
#  29  ARG H  30  SER H
 &rst iat= 439,463, r1= 0, r2= 0, r3= 2.8, r4= 3.3,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  29  ARG H  46  LEU QB
 &rst iat= 439, -1, r1= 0, r2= 0, r3= 3.808, r4= 4.368,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 700,701,
&end
#
#  29  ARG H  46  LEU QD
 &rst iat= 439, -1, r1= 0, r2= 0, r3= 7.29, r4= 7.965,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 705,706,707,709,710,711,
&end
#
#  29  ARG H  67  LEU QD
 &rst iat= 439, -1, r1= 0, r2= 0, r3= 7.425, r4= 8.1,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1029,1030,1031,1033,1034,1035,
&end
#
#  30  SER QB  32  ILE H
 &rst iat= -1,491, r1= 0, r2= 0, r3= 4.032, r4= 4.592,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 467,468,
&end
#
#  30  SER QB  46  LEU QD
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 7.7112, r4= 8.4672,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 467,468,
igr2= 705,706,707,709,710,711,
&end
#
#  30  SER QB  47  PHE HA
 &rst iat= -1,717, r1= 0, r2= 0, r3= 5.04, r4= 5.6,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 467,468,
&end
#
#  30  SER QB  47  PHE QD
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.77024, r4= 6.39744,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 467,468,
igr2= 723,731,
&end
#
#  30  SER QB  48  GLY H
 &rst iat= -1,735, r1= 0, r2= 0, r3= 5.376, r4= 5.936,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 467,468,
&end
#
#  30  SER H  32  ILE H
 &rst iat= 463,491, r1= 0, r2= 0, r3= 5, r4= 5.5,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  30  SER H  46  LEU QB
 &rst iat= 463, -1, r1= 0, r2= 0, r3= 5.824, r4= 6.384,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 700,701,
&end
#
#  30  SER H  46  LEU QD
 &rst iat= 463, -1, r1= 0, r2= 0, r3= 7.965, r4= 8.64,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 705,706,707,709,710,711,
&end
#
#  30  SER H  48  GLY H
 &rst iat= 463,735, r1= 0, r2= 0, r3= 5.1, r4= 5.6,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  31  HIS HA  32  ILE H
 &rst iat= 476,491, r1= 0, r2= 0, r3= 3.7, r4= 4.2,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  31  HIS HA  65  TYR QE
 &rst iat= 476, -1, r1= 0, r2= 0, r3= 5.376, r4= 5.936,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 999,1004,
&end
#
#  31  HIS QB  65  TYR QE
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.6448, r4= 6.272,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 478,479,
igr2= 999,1004,
&end
#
#  31  HIS HD2  32  ILE QD1
 &rst iat= 487, -1, r1= 0, r2= 0, r3= 6.24, r4= 6.84,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 504,505,506,
&end
#
#  31  HIS HD2  65  TYR QE
 &rst iat= 487, -1, r1= 0, r2= 0, r3= 4.928, r4= 5.488,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 999,1004,
&end
#
#  31  HIS HE1  32  ILE QD1
 &rst iat= 483, -1, r1= 0, r2= 0, r3= 5.28, r4= 5.88,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 504,505,506,
&end
#
#  31  HIS HE1  32  ILE QG2
 &rst iat= 483, -1, r1= 0, r2= 0, r3= 5.76, r4= 6.36,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 497,498,499,
&end
#
#  32  ILE HA  33  MET QB
 &rst iat= 493, -1, r1= 0, r2= 0, r3= 5.264, r4= 5.824,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 514,515,
&end
#
#  32  ILE HA  33  MET H
 &rst iat= 493,510, r1= 0, r2= 0, r3= 2.7, r4= 3.2,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  32  ILE HB  47  PHE QD
 &rst iat= 495, -1, r1= 0, r2= 0, r3= 4.48, r4= 5.04,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 723,731,
&end
#
#  32  ILE HB  47  PHE QE
 &rst iat= 495, -1, r1= 0, r2= 0, r3= 5.6, r4= 6.16,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 725,729,
&end
#
#  32  ILE QD1  33  MET H
 &rst iat= -1,510, r1= 0, r2= 0, r3= 5.76, r4= 6.36,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 504,505,506,
&end
#
#  32  ILE QD1  47  PHE QD
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 7.2576, r4= 7.9296,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 504,505,506,
igr2= 723,731,
&end
#
#  32  ILE QG1  33  MET H
 &rst iat= -1,510, r1= 0, r2= 0, r3= 5.712, r4= 6.272,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 501,502,
&end
#
#  32  ILE QG2  33  MET HA
 &rst iat= -1,512, r1= 0, r2= 0, r3= 6.48, r4= 7.08,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 497,498,499,
&end
#
#  32  ILE QG2  33  MET QB
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.5856, r4= 7.2576,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 497,498,499,
igr2= 514,515,
&end
#
#  32  ILE QG2  33  MET QG
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 7.2576, r4= 7.9296,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 497,498,499,
igr2= 517,518,
&end
#
#  32  ILE QG2  33  MET H
 &rst iat= -1,510, r1= 0, r2= 0, r3= 4.56, r4= 5.16,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 497,498,499,
&end
#
#  32  ILE QG2  34  CYS HA
 &rst iat= -1,529, r1= 0, r2= 0, r3= 7.44, r4= 8.04,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 497,498,499,
&end
#
#  32  ILE QG2  34  CYS H
 &rst iat= -1,527, r1= 0, r2= 0, r3= 7.2, r4= 7.8,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 497,498,499,
&end
#
#  32  ILE QG2  47  PHE HA
 &rst iat= -1,717, r1= 0, r2= 0, r3= 6.72, r4= 7.32,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 497,498,499,
&end
#
#  32  ILE QG2  47  PHE QD
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.1824, r4= 6.8544,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 497,498,499,
igr2= 723,731,
&end
#
#  32  ILE QG2  47  PHE QE
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 7.7952, r4= 8.4672,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 497,498,499,
igr2= 725,729,
&end
#
#  32  ILE QG2  48  GLY H
 &rst iat= -1,735, r1= 0, r2= 0, r3= 6.96, r4= 7.56,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 497,498,499,
&end
#
#  32  ILE H  33  MET H
 &rst iat= 491,510, r1= 0, r2= 0, r3= 4.9, r4= 5.4,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  32  ILE H  47  PHE HA
 &rst iat= 491,717, r1= 0, r2= 0, r3= 3.5, r4= 4,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  32  ILE H  47  PHE QD
 &rst iat= 491, -1, r1= 0, r2= 0, r3= 5.936, r4= 6.496,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 723,731,
&end
#
#  33  MET HA  34  CYS HA
 &rst iat= 512,529, r1= 0, r2= 0, r3= 4.8, r4= 5.3,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  33  MET HA  34  CYS H
 &rst iat= 512,527, r1= 0, r2= 0, r3= 2.8, r4= 3.3,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  33  MET HA  48  GLY H
 &rst iat= 512,735, r1= 0, r2= 0, r3= 3.5, r4= 4,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  33  MET HA  49  HIS H
 &rst iat= 512,742, r1= 0, r2= 0, r3= 5.2, r4= 5.7,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  33  MET QB  34  CYS H
 &rst iat= -1,527, r1= 0, r2= 0, r3= 3.92, r4= 4.48,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 514,515,
&end
#
#  33  MET QB  48  GLY H
 &rst iat= -1,735, r1= 0, r2= 0, r3= 5.824, r4= 6.384,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 514,515,
&end
#
#  33  MET QE  34  CYS H
 &rst iat= -1,527, r1= 0, r2= 0, r3= 6.24, r4= 6.84,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 521,522,523,
&end
#
#  33  MET QE  48  GLY H
 &rst iat= -1,735, r1= 0, r2= 0, r3= 6.96, r4= 7.56,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 521,522,523,
&end
#
#  33  MET QE  49  HIS HD2
 &rst iat= -1,755, r1= 0, r2= 0, r3= 7.08, r4= 7.68,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 521,522,523,
&end
#
#  33  MET QE  49  HIS H
 &rst iat= -1,742, r1= 0, r2= 0, r3= 6.96, r4= 7.56,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 521,522,523,
&end
#
#  33  MET QE  50  PRO HA
 &rst iat= -1,769, r1= 0, r2= 0, r3= 5.4, r4= 6,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 521,522,523,
&end
#
#  33  MET QE  50  PRO QD
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.5856, r4= 7.2576,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 521,522,523,
igr2= 760,761,
&end
#
#  33  MET QE  51  ILE H
 &rst iat= -1,773, r1= 0, r2= 0, r3= 6.6, r4= 7.2,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 521,522,523,
&end
#
#  33  MET QE  65  TYR HA
 &rst iat= -1,991, r1= 0, r2= 0, r3= 6.12, r4= 6.72,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 521,522,523,
&end
#
#  33  MET QE  65  TYR QD
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 7.2576, r4= 7.9296,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 521,522,523,
igr2= 997,1006,
&end
#
#  33  MET QE  65  TYR H
 &rst iat= -1,989, r1= 0, r2= 0, r3= 6.72, r4= 7.32,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 521,522,523,
&end
#
#  33  MET QE  66  CYS H
 &rst iat= -1,1010, r1= 0, r2= 0, r3= 6.96, r4= 7.56,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 521,522,523,
&end
#
#  33  MET QE  67  LEU QD
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.318, r4= 7.128,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 521,522,523,
igr2= 1029,1030,1031,1033,1034,1035,
&end
#
#  33  MET QG  48  GLY H
 &rst iat= -1,735, r1= 0, r2= 0, r3= 5.6, r4= 6.16,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 517,518,
&end
#
#  33  MET QG  67  LEU QD
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 7.7112, r4= 8.4672,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 517,518,
igr2= 1029,1030,1031,1033,1034,1035,
&end
#
#  33  MET QG  76  LEU QD
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 9.2232, r4= 9.9792,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 517,518,
igr2= 1184,1185,1186,1188,1189,1190,
&end
#
#  33  MET H  34  CYS HA
 &rst iat= 510,529, r1= 0, r2= 0, r3= 5.1, r4= 5.6,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  33  MET H  34  CYS H
 &rst iat= 510,527, r1= 0, r2= 0, r3= 5, r4= 5.5,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  34  CYS HA  35  ARG QB
 &rst iat= 529, -1, r1= 0, r2= 0, r3= 5.04, r4= 5.6,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 541,542,
&end
#
#  34  CYS HA  35  ARG QG
 &rst iat= 529, -1, r1= 0, r2= 0, r3= 5.264, r4= 5.824,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 544,545,
&end
#
#  34  CYS HA  35  ARG H
 &rst iat= 529,537, r1= 0, r2= 0, r3= 3, r4= 3.5,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  34  CYS HA  36  GLU H
 &rst iat= 529,561, r1= 0, r2= 0, r3= 4.8, r4= 5.3,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  34  CYS HA  37  GLY H
 &rst iat= 529,576, r1= 0, r2= 0, r3= 5.2, r4= 5.7,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  34  CYS HA  47  PHE QB
 &rst iat= 529, -1, r1= 0, r2= 0, r3= 4.816, r4= 5.376,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 719,720,
&end
#
#  34  CYS HA  47  PHE QD
 &rst iat= 529, -1, r1= 0, r2= 0, r3= 5.376, r4= 5.936,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 723,731,
&end
#
#  34  CYS HA  49  HIS HD2
 &rst iat= 529,755, r1= 0, r2= 0, r3= 4.6, r4= 5.1,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  34  CYS QB  35  ARG H
 &rst iat= -1,537, r1= 0, r2= 0, r3= 5.824, r4= 6.384,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 532,531,
&end
#
#  34  CYS QB  36  GLU H
 &rst iat= -1,561, r1= 0, r2= 0, r3= 5.152, r4= 5.712,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 532,531,
&end
#
#  34  CYS QB  37  GLY H
 &rst iat= -1,576, r1= 0, r2= 0, r3= 4.032, r4= 4.592,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 532,531,
&end
#
#  34  CYS QB  47  PHE QB
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.272, r4= 6.8992,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 532,531,
igr2= 719,720,
&end
#
#  34  CYS QB  47  PHE QD
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.64832, r4= 7.27552,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 532,531,
igr2= 723,731,
&end
#
#  34  CYS QB  47  PHE QE
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.272, r4= 6.8992,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 532,531,
igr2= 725,729,
&end
#
#  34  CYS QB  47  PHE H
 &rst iat= -1,715, r1= 0, r2= 0, r3= 5.152, r4= 5.712,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 532,531,
&end
#
#  34  CYS QB  49  HIS HD2
 &rst iat= -1,755, r1= 0, r2= 0, r3= 5.488, r4= 6.048,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 532,531,
&end
#
#  34  CYS H  47  PHE QB
 &rst iat= 527, -1, r1= 0, r2= 0, r3= 4.704, r4= 5.264,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 719,720,
&end
#
#  34  CYS H  47  PHE QD
 &rst iat= 527, -1, r1= 0, r2= 0, r3= 5.488, r4= 6.048,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 723,731,
&end
#
#  34  CYS H  48  GLY QA
 &rst iat= 527, -1, r1= 0, r2= 0, r3= 5.6, r4= 6.16,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 737,738,
&end
#
#  34  CYS H  48  GLY H
 &rst iat= 527,735, r1= 0, r2= 0, r3= 4.2, r4= 4.7,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  34  CYS H  49  HIS HD2
 &rst iat= 527,755, r1= 0, r2= 0, r3= 4.8, r4= 5.3,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  35  ARG HA  36  GLU HA
 &rst iat= 539,563, r1= 0, r2= 0, r3= 4.4, r4= 4.9,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  35  ARG HA  36  GLU H
 &rst iat= 539,561, r1= 0, r2= 0, r3= 3.3, r4= 3.8,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  35  ARG QB  36  GLU QG
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.51936, r4= 6.14656,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 541,542,
igr2= 568,569,
&end
#
#  35  ARG QB  36  GLU H
 &rst iat= -1,561, r1= 0, r2= 0, r3= 4.368, r4= 4.928,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 541,542,
&end
#
#  35  ARG QB  37  GLY H
 &rst iat= -1,576, r1= 0, r2= 0, r3= 5.6, r4= 6.16,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 541,542,
&end
#
#  35  ARG QG  36  GLU HA
 &rst iat= -1,563, r1= 0, r2= 0, r3= 3.808, r4= 4.368,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 544,545,
&end
#
#  35  ARG QG  36  GLU QG
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.39392, r4= 6.02112,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 544,545,
igr2= 568,569,
&end
#
#  35  ARG QG  36  GLU H
 &rst iat= -1,561, r1= 0, r2= 0, r3= 4.816, r4= 5.376,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 544,545,
&end
#
#  35  ARG H  36  GLU H
 &rst iat= 537,561, r1= 0, r2= 0, r3= 3.2, r4= 3.7,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  35  ARG H  47  PHE QD
 &rst iat= 537, -1, r1= 0, r2= 0, r3= 5.488, r4= 6.048,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 723,731,
&end
#
#  36  GLU HA  37  GLY H
 &rst iat= 563,576, r1= 0, r2= 0, r3= 3.3, r4= 3.8,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  36  GLU HA  39  ASN QB
 &rst iat= 563, -1, r1= 0, r2= 0, r3= 5.712, r4= 6.272,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 597,598,
&end
#
#  36  GLU HA  39  ASN H
 &rst iat= 563,593, r1= 0, r2= 0, r3= 4.9, r4= 5.4,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  36  GLU HA  40  CYS H
 &rst iat= 563,607, r1= 0, r2= 0, r3= 5, r4= 5.5,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  36  GLU QB  37  GLY H
 &rst iat= -1,576, r1= 0, r2= 0, r3= 4.816, r4= 5.376,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 565,566,
&end
#
#  36  GLU QB  39  ASN QB
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.14656, r4= 6.77376,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 565,566,
igr2= 597,598,
&end
#
#  36  GLU QB  39  ASN H
 &rst iat= -1,593, r1= 0, r2= 0, r3= 5.264, r4= 5.824,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 565,566,
&end
#
#  36  GLU QB  40  CYS HA
 &rst iat= -1,609, r1= 0, r2= 0, r3= 4.704, r4= 5.264,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 565,566,
&end
#
#  36  GLU QB  40  CYS QB
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.26848, r4= 5.89568,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 565,566,
igr2= 612,611,
&end
#
#  36  GLU QB  40  CYS H
 &rst iat= -1,607, r1= 0, r2= 0, r3= 4.592, r4= 5.152,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 565,566,
&end
#
#  36  GLU QB  41  THR H
 &rst iat= -1,617, r1= 0, r2= 0, r3= 5.488, r4= 6.048,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 565,566,
&end
#
#  36  GLU QB  49  HIS HD2
 &rst iat= -1,755, r1= 0, r2= 0, r3= 5.936, r4= 6.496,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 565,566,
&end
#
#  36  GLU QG  37  GLY H
 &rst iat= -1,576, r1= 0, r2= 0, r3= 5.04, r4= 5.6,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 568,569,
&end
#
#  36  GLU QG  40  CYS HA
 &rst iat= -1,609, r1= 0, r2= 0, r3= 4.928, r4= 5.488,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 568,569,
&end
#
#  36  GLU QG  40  CYS QB
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.51936, r4= 6.14656,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 568,569,
igr2= 612,611,
&end
#
#  36  GLU QG  40  CYS H
 &rst iat= -1,607, r1= 0, r2= 0, r3= 5.264, r4= 5.824,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 568,569,
&end
#
#  36  GLU H  37  GLY H
 &rst iat= 561,576, r1= 0, r2= 0, r3= 2.9, r4= 3.4,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  36  GLU H  40  CYS HA
 &rst iat= 561,609, r1= 0, r2= 0, r3= 4.8, r4= 5.3,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  36  GLU H  40  CYS QB
 &rst iat= 561, -1, r1= 0, r2= 0, r3= 5.264, r4= 5.824,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 612,611,
&end
#
#  36  GLU H  49  HIS HD2
 &rst iat= 561,755, r1= 0, r2= 0, r3= 4.9, r4= 5.4,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  37  GLY QA  38  ALA HA
 &rst iat= -1,585, r1= 0, r2= 0, r3= 5.376, r4= 5.936,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 578,579,
&end
#
#  37  GLY QA  38  ALA QB
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.5856, r4= 7.2576,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 578,579,
igr2= 587,588,589,
&end
#
#  37  GLY QA  38  ALA H
 &rst iat= -1,583, r1= 0, r2= 0, r3= 3.136, r4= 3.696,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 578,579,
&end
#
#  37  GLY QA  39  ASN H
 &rst iat= -1,593, r1= 0, r2= 0, r3= 5.152, r4= 5.712,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 578,579,
&end
#
#  37  GLY QA  49  HIS QB
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.14656, r4= 6.77376,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 578,579,
igr2= 746,747,
&end
#
#  37  GLY QA  50  PRO QG
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.89568, r4= 6.52288,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 578,579,
igr2= 763,764,
&end
#
#  37  GLY H  38  ALA QB
 &rst iat= 576, -1, r1= 0, r2= 0, r3= 7.32, r4= 7.92,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 587,588,589,
&end
#
#  37  GLY H  38  ALA H
 &rst iat= 576,583, r1= 0, r2= 0, r3= 4.5, r4= 5,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  37  GLY H  39  ASN H
 &rst iat= 576,593, r1= 0, r2= 0, r3= 5.1, r4= 5.6,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  37  GLY H  40  CYS QB
 &rst iat= 576, -1, r1= 0, r2= 0, r3= 5.6, r4= 6.16,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 612,611,
&end
#
#  37  GLY H  40  CYS H
 &rst iat= 576,607, r1= 0, r2= 0, r3= 4.5, r4= 5,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  38  ALA HA  39  ASN H
 &rst iat= 585,593, r1= 0, r2= 0, r3= 3.5, r4= 4,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  38  ALA HA  40  CYS QB
 &rst iat= 585, -1, r1= 0, r2= 0, r3= 5.936, r4= 6.496,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 612,611,
&end
#
#  38  ALA HA  40  CYS H
 &rst iat= 585,607, r1= 0, r2= 0, r3= 4.7, r4= 5.2,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  38  ALA HA  49  HIS QB
 &rst iat= 585, -1, r1= 0, r2= 0, r3= 5.712, r4= 6.272,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 746,747,
&end
#
#  38  ALA HA  49  HIS HD2
 &rst iat= 585,755, r1= 0, r2= 0, r3= 4.7, r4= 5.2,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  38  ALA HA  50  PRO QD
 &rst iat= 585, -1, r1= 0, r2= 0, r3= 5.04, r4= 5.6,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 760,761,
&end
#
#  38  ALA HA  50  PRO QG
 &rst iat= 585, -1, r1= 0, r2= 0, r3= 5.6, r4= 6.16,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 763,764,
&end
#
#  38  ALA QB  39  ASN HA
 &rst iat= -1,595, r1= 0, r2= 0, r3= 6.84, r4= 7.44,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 587,588,589,
&end
#
#  38  ALA QB  39  ASN QB
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 7.5264, r4= 8.1984,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 587,588,589,
igr2= 597,598,
&end
#
#  38  ALA QB  39  ASN QD2
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 7.7952, r4= 8.4672,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 587,588,589,
igr2= 602,603,
&end
#
#  38  ALA QB  39  ASN H
 &rst iat= -1,593, r1= 0, r2= 0, r3= 4.92, r4= 5.52,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 587,588,589,
&end
#
#  38  ALA QB  40  CYS H
 &rst iat= -1,607, r1= 0, r2= 0, r3= 6.72, r4= 7.32,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 587,588,589,
&end
#
#  38  ALA QB  49  HIS HA
 &rst iat= -1,744, r1= 0, r2= 0, r3= 7.44, r4= 8.04,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 587,588,589,
&end
#
#  38  ALA QB  49  HIS QB
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 7.9296, r4= 8.6016,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 587,588,589,
igr2= 746,747,
&end
#
#  38  ALA QB  49  HIS HD2
 &rst iat= -1,755, r1= 0, r2= 0, r3= 6.6, r4= 7.2,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 587,588,589,
&end
#
#  38  ALA QB  50  PRO HA
 &rst iat= -1,769, r1= 0, r2= 0, r3= 6.48, r4= 7.08,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 587,588,589,
&end
#
#  38  ALA QB  50  PRO QB
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.5856, r4= 7.2576,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 587,588,589,
igr2= 766,767,
&end
#
#  38  ALA QB  50  PRO QD
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 7.1232, r4= 7.7952,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 587,588,589,
igr2= 760,761,
&end
#
#  38  ALA QB  50  PRO QG
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.7792, r4= 6.4512,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 587,588,589,
igr2= 763,764,
&end
#
#  38  ALA H  39  ASN H
 &rst iat= 583,593, r1= 0, r2= 0, r3= 3.1, r4= 3.6,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  38  ALA H  50  PRO QD
 &rst iat= 583, -1, r1= 0, r2= 0, r3= 5.6, r4= 6.16,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 760,761,
&end
#
#  38  ALA H  50  PRO QG
 &rst iat= 583, -1, r1= 0, r2= 0, r3= 5.264, r4= 5.824,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 763,764,
&end
#
#  39  ASN HA  40  CYS H
 &rst iat= 595,607, r1= 0, r2= 0, r3= 4.4, r4= 4.9,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  39  ASN QB  40  CYS H
 &rst iat= -1,607, r1= 0, r2= 0, r3= 3.696, r4= 4.256,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 597,598,
&end
#
#  39  ASN QB  41  THR QG2
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 7.9296, r4= 8.6016,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 597,598,
igr2= 623,624,625,
&end
#
#  39  ASN H  40  CYS HA
 &rst iat= 593,609, r1= 0, r2= 0, r3= 4.7, r4= 5.2,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  39  ASN H  40  CYS QB
 &rst iat= 593, -1, r1= 0, r2= 0, r3= 5.376, r4= 5.936,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 612,611,
&end
#
#  39  ASN H  40  CYS H
 &rst iat= 593,607, r1= 0, r2= 0, r3= 2.7, r4= 3.2,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  40  CYS HA  41  THR QG2
 &rst iat= 609, -1, r1= 0, r2= 0, r3= 5.76, r4= 6.36,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 623,624,625,
&end
#
#  40  CYS HA  41  THR H
 &rst iat= 609,617, r1= 0, r2= 0, r3= 2.7, r4= 3.2,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  40  CYS HA  42  ARG H
 &rst iat= 609,631, r1= 0, r2= 0, r3= 4.4, r4= 4.9,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  40  CYS QB  41  THR H
 &rst iat= -1,617, r1= 0, r2= 0, r3= 5.488, r4= 6.048,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 612,611,
&end
#
#  40  CYS QB  42  ARG H
 &rst iat= -1,631, r1= 0, r2= 0, r3= 5.6, r4= 6.16,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 612,611,
&end
#
#  40  CYS H  41  THR H
 &rst iat= 607,617, r1= 0, r2= 0, r3= 4.7, r4= 5.2,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  41  THR HA  42  ARG H
 &rst iat= 619,631, r1= 0, r2= 0, r3= 3.2, r4= 3.7,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  41  THR HA  43  ILE QD1
 &rst iat= 619, -1, r1= 0, r2= 0, r3= 6.48, r4= 7.08,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 668,669,670,
&end
#
#  41  THR QG2  42  ARG QB
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 8.3328, r4= 9.0048,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 623,624,625,
igr2= 635,636,
&end
#
#  41  THR QG2  42  ARG H
 &rst iat= -1,631, r1= 0, r2= 0, r3= 6.48, r4= 7.08,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 623,624,625,
&end
#
#  41  THR QG2  43  ILE QD1
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 8.496, r4= 9.216,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 623,624,625,
igr2= 668,669,670,
&end
#
#  41  THR H  42  ARG HA
 &rst iat= 617,633, r1= 0, r2= 0, r3= 4.9, r4= 5.4,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  41  THR H  42  ARG QB
 &rst iat= 617, -1, r1= 0, r2= 0, r3= 5.264, r4= 5.824,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 635,636,
&end
#
#  41  THR H  42  ARG H
 &rst iat= 617,631, r1= 0, r2= 0, r3= 2.9, r4= 3.4,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  42  ARG HA  43  ILE QD1
 &rst iat= 633, -1, r1= 0, r2= 0, r3= 6.12, r4= 6.72,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 668,669,670,
&end
#
#  42  ARG HA  43  ILE H
 &rst iat= 633,655, r1= 0, r2= 0, r3= 2.8, r4= 3.3,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  42  ARG HA  44  ASP H
 &rst iat= 633,674, r1= 0, r2= 0, r3= 4.8, r4= 5.3,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  42  ARG QB  45  CYS H
 &rst iat= -1,686, r1= 0, r2= 0, r3= 4.368, r4= 4.928,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 635,636,
&end
#
#  42  ARG QB  49  HIS HE1
 &rst iat= -1,751, r1= 0, r2= 0, r3= 4.592, r4= 5.152,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 635,636,
&end
#
#  42  ARG QD  44  ASP H
 &rst iat= -1,674, r1= 0, r2= 0, r3= 5.824, r4= 6.384,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 641,642,
&end
#
#  42  ARG QD  45  CYS HA
 &rst iat= -1,688, r1= 0, r2= 0, r3= 5.04, r4= 5.6,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 641,642,
&end
#
#  42  ARG QD  45  CYS H
 &rst iat= -1,686, r1= 0, r2= 0, r3= 5.04, r4= 5.6,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 641,642,
&end
#
#  42  ARG QG  43  ILE H
 &rst iat= -1,655, r1= 0, r2= 0, r3= 4.704, r4= 5.264,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 638,639,
&end
#
#  42  ARG QG  44  ASP H
 &rst iat= -1,674, r1= 0, r2= 0, r3= 5.04, r4= 5.6,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 638,639,
&end
#
#  42  ARG QG  45  CYS HA
 &rst iat= -1,688, r1= 0, r2= 0, r3= 4.928, r4= 5.488,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 638,639,
&end
#
#  42  ARG QG  45  CYS H
 &rst iat= -1,686, r1= 0, r2= 0, r3= 5.152, r4= 5.712,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 638,639,
&end
#
#  42  ARG QG  46  LEU QD
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 7.7112, r4= 8.4672,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 638,639,
igr2= 705,706,707,709,710,711,
&end
#
#  42  ARG H  43  ILE H
 &rst iat= 631,655, r1= 0, r2= 0, r3= 5, r4= 5.5,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  42  ARG H  45  CYS QB
 &rst iat= 631, -1, r1= 0, r2= 0, r3= 5.376, r4= 5.936,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 691,690,
&end
#
#  43  ILE HA  44  ASP H
 &rst iat= 657,674, r1= 0, r2= 0, r3= 4.6, r4= 5.1,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  43  ILE HA  45  CYS H
 &rst iat= 657,686, r1= 0, r2= 0, r3= 5, r4= 5.5,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  43  ILE HB  44  ASP H
 &rst iat= 659,674, r1= 0, r2= 0, r3= 4.2, r4= 4.7,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  43  ILE QD1  44  ASP H
 &rst iat= -1,674, r1= 0, r2= 0, r3= 7.2, r4= 7.8,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 668,669,670,
&end
#
#  43  ILE QD1  45  CYS QB
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 7.392, r4= 8.064,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 668,669,670,
igr2= 691,690,
&end
#
#  43  ILE QD1  45  CYS H
 &rst iat= -1,686, r1= 0, r2= 0, r3= 7.2, r4= 7.8,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 668,669,670,
&end
#
#  43  ILE QG1  44  ASP H
 &rst iat= -1,674, r1= 0, r2= 0, r3= 5.6, r4= 6.16,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 665,666,
&end
#
#  43  ILE QG2  44  ASP HA
 &rst iat= -1,676, r1= 0, r2= 0, r3= 6.24, r4= 6.84,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 661,662,663,
&end
#
#  43  ILE QG2  44  ASP QB
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.72, r4= 7.392,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 661,662,663,
igr2= 678,679,
&end
#
#  43  ILE QG2  44  ASP H
 &rst iat= -1,674, r1= 0, r2= 0, r3= 4.56, r4= 5.16,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 661,662,663,
&end
#
#  43  ILE QG2  45  CYS H
 &rst iat= -1,686, r1= 0, r2= 0, r3= 6.6, r4= 7.2,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 661,662,663,
&end
#
#  43  ILE H  44  ASP H
 &rst iat= 655,674, r1= 0, r2= 0, r3= 3.7, r4= 4.2,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  43  ILE H  45  CYS H
 &rst iat= 655,686, r1= 0, r2= 0, r3= 4.8, r4= 5.3,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  44  ASP HA  45  CYS H
 &rst iat= 676,686, r1= 0, r2= 0, r3= 4.3, r4= 4.8,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  44  ASP QB  45  CYS H
 &rst iat= -1,686, r1= 0, r2= 0, r3= 5.152, r4= 5.712,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 678,679,
&end
#
#  44  ASP QB  46  LEU QD
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 8.9208, r4= 9.6768,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 678,679,
igr2= 705,706,707,709,710,711,
&end
#
#  44  ASP H  45  CYS HA
 &rst iat= 674,688, r1= 0, r2= 0, r3= 5.2, r4= 5.7,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  44  ASP H  45  CYS QB
 &rst iat= 674, -1, r1= 0, r2= 0, r3= 5.376, r4= 5.936,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 691,690,
&end
#
#  44  ASP H  45  CYS H
 &rst iat= 674,686, r1= 0, r2= 0, r3= 3, r4= 3.5,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  45  CYS HA  46  LEU QB
 &rst iat= 688, -1, r1= 0, r2= 0, r3= 5.152, r4= 5.712,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 700,701,
&end
#
#  45  CYS HA  46  LEU QD
 &rst iat= 688, -1, r1= 0, r2= 0, r3= 7.695, r4= 8.37,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 705,706,707,709,710,711,
&end
#
#  45  CYS HA  46  LEU HG
 &rst iat= 688,703, r1= 0, r2= 0, r3= 4.4, r4= 4.9,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  45  CYS HA  46  LEU H
 &rst iat= 688,696, r1= 0, r2= 0, r3= 2.6, r4= 3.1,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  45  CYS HA  47  PHE H
 &rst iat= 688,715, r1= 0, r2= 0, r3= 4.3, r4= 4.8,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  45  CYS QB  46  LEU H
 &rst iat= -1,696, r1= 0, r2= 0, r3= 5.712, r4= 6.272,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 691,690,
&end
#
#  45  CYS QB  47  PHE H
 &rst iat= -1,715, r1= 0, r2= 0, r3= 5.824, r4= 6.384,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 691,690,
&end
#
#  45  CYS QB  49  HIS HE1
 &rst iat= -1,751, r1= 0, r2= 0, r3= 3.696, r4= 4.256,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 691,690,
&end
#
#  45  CYS H  46  LEU H
 &rst iat= 686,696, r1= 0, r2= 0, r3= 4.7, r4= 5.2,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  45  CYS H  49  HIS HE1
 &rst iat= 686,751, r1= 0, r2= 0, r3= 3.9, r4= 4.4,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  46  LEU HA  47  PHE H
 &rst iat= 698,715, r1= 0, r2= 0, r3= 4.5, r4= 5,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  46  LEU QB  47  PHE QB
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 7.02464, r4= 7.65184,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 700,701,
igr2= 719,720,
&end
#
#  46  LEU QB  47  PHE H
 &rst iat= -1,715, r1= 0, r2= 0, r3= 5.264, r4= 5.824,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 700,701,
&end
#
#  46  LEU QD  47  PHE QD
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 9.3744, r4= 10.1304,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 705,706,707,709,710,711,
igr2= 723,731,
&end
#
#  46  LEU QD  47  PHE QE
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 9.072, r4= 9.828,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 705,706,707,709,710,711,
igr2= 725,729,
&end
#
#  46  LEU QD  47  PHE H
 &rst iat= -1,715, r1= 0, r2= 0, r3= 7.83, r4= 8.505,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 705,706,707,709,710,711,
&end
#
#  46  LEU HG  47  PHE H
 &rst iat= 703,715, r1= 0, r2= 0, r3= 4.9, r4= 5.4,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  46  LEU H  47  PHE QD
 &rst iat= 696, -1, r1= 0, r2= 0, r3= 6.944, r4= 7.504,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 723,731,
&end
#
#  47  PHE HA  48  GLY H
 &rst iat= 717,735, r1= 0, r2= 0, r3= 3.9, r4= 4.4,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  47  PHE QB  48  GLY H
 &rst iat= -1,735, r1= 0, r2= 0, r3= 4.816, r4= 5.376,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 719,720,
&end
#
#  47  PHE QD  48  GLY H
 &rst iat= -1,735, r1= 0, r2= 0, r3= 6.048, r4= 6.608,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 723,731,
&end
#
#  47  PHE H  48  GLY H
 &rst iat= 715,735, r1= 0, r2= 0, r3= 4.5, r4= 5,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  47  PHE H  49  HIS HE1
 &rst iat= 715,751, r1= 0, r2= 0, r3= 4, r4= 4.5,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  48  GLY QA  49  HIS QB
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.8992, r4= 7.5264,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 737,738,
igr2= 746,747,
&end
#
#  48  GLY QA  49  HIS H
 &rst iat= -1,742, r1= 0, r2= 0, r3= 3.248, r4= 3.808,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 737,738,
&end
#
#  48  GLY QA  67  LEU QD
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 7.56, r4= 8.316,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 737,738,
igr2= 1029,1030,1031,1033,1034,1035,
&end
#
#  48  GLY H  49  HIS H
 &rst iat= 735,742, r1= 0, r2= 0, r3= 5, r4= 5.5,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  49  HIS HA  50  PRO HA
 &rst iat= 744,769, r1= 0, r2= 0, r3= 5, r4= 5.5,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  49  HIS HA  50  PRO QD
 &rst iat= 744, -1, r1= 0, r2= 0, r3= 4.704, r4= 5.264,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 760,761,
&end
#
#  49  HIS HA  50  PRO QG
 &rst iat= 744, -1, r1= 0, r2= 0, r3= 4.704, r4= 5.264,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 763,764,
&end
#
#  49  HIS QB  50  PRO QD
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.6448, r4= 6.272,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 746,747,
igr2= 760,761,
&end
#
#  49  HIS QB  50  PRO QG
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.77024, r4= 6.39744,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 746,747,
igr2= 763,764,
&end
#
#  49  HIS H  67  LEU QD
 &rst iat= 742, -1, r1= 0, r2= 0, r3= 5.4, r4= 6.075,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1029,1030,1031,1033,1034,1035,
&end
#
#  50  PRO HA  51  ILE HA
 &rst iat= 769,775, r1= 0, r2= 0, r3= 5.2, r4= 5.7,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  50  PRO HA  51  ILE HB
 &rst iat= 769,777, r1= 0, r2= 0, r3= 4.9, r4= 5.4,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  50  PRO HA  51  ILE QD1
 &rst iat= 769, -1, r1= 0, r2= 0, r3= 7.32, r4= 7.92,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 786,787,788,
&end
#
#  50  PRO HA  51  ILE QG1
 &rst iat= 769, -1, r1= 0, r2= 0, r3= 4.928, r4= 5.488,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 783,784,
&end
#
#  50  PRO HA  51  ILE H
 &rst iat= 769,773, r1= 0, r2= 0, r3= 2.8, r4= 3.3,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  50  PRO HA  67  LEU QD
 &rst iat= 769, -1, r1= 0, r2= 0, r3= 7.29, r4= 7.965,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1029,1030,1031,1033,1034,1035,
&end
#
#  50  PRO QB  51  ILE HA
 &rst iat= -1,775, r1= 0, r2= 0, r3= 5.6, r4= 6.16,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 766,767,
&end
#
#  50  PRO QB  51  ILE H
 &rst iat= -1,773, r1= 0, r2= 0, r3= 4.928, r4= 5.488,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 766,767,
&end
#
#  50  PRO QG  51  ILE H
 &rst iat= -1,773, r1= 0, r2= 0, r3= 5.376, r4= 5.936,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 763,764,
&end
#
#  51  ILE HA  52  ASN QB
 &rst iat= 775, -1, r1= 0, r2= 0, r3= 5.824, r4= 6.384,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 796,797,
&end
#
#  51  ILE HA  52  ASN H
 &rst iat= 775,792, r1= 0, r2= 0, r3= 2.7, r4= 3.2,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  51  ILE HB  53  GLU H
 &rst iat= 777,806, r1= 0, r2= 0, r3= 5.1, r4= 5.6,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  51  ILE HB  67  LEU HA
 &rst iat= 777,1022, r1= 0, r2= 0, r3= 4.6, r4= 5.1,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  51  ILE HB  68  PHE HA
 &rst iat= 777,1041, r1= 0, r2= 0, r3= 4.5, r4= 5,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  51  ILE HB  69  ARG HE
 &rst iat= 777,1072, r1= 0, r2= 0, r3= 5.1, r4= 5.6,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  51  ILE QD1  52  ASN H
 &rst iat= -1,792, r1= 0, r2= 0, r3= 7.2, r4= 7.8,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 786,787,788,
&end
#
#  51  ILE QD1  67  LEU HA
 &rst iat= -1,1022, r1= 0, r2= 0, r3= 6.96, r4= 7.56,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 786,787,788,
&end
#
#  51  ILE QD1  67  LEU QB
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.3168, r4= 6.9888,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 786,787,788,
igr2= 1024,1025,
&end
#
#  51  ILE QD1  67  LEU QD
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 8.424, r4= 9.234,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 786,787,788,
igr2= 1029,1030,1031,1033,1034,1035,
&end
#
#  51  ILE QD1  67  LEU H
 &rst iat= -1,1020, r1= 0, r2= 0, r3= 7.44, r4= 8.04,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 786,787,788,
&end
#
#  51  ILE QD1  68  PHE QD
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 7.5264, r4= 8.1984,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 786,787,788,
igr2= 1047,1055,
&end
#
#  51  ILE QD1  68  PHE H
 &rst iat= -1,1039, r1= 0, r2= 0, r3= 7.44, r4= 8.04,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 786,787,788,
&end
#
#  51  ILE QD1  69  ARG HE
 &rst iat= -1,1072, r1= 0, r2= 0, r3= 6.12, r4= 6.72,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 786,787,788,
&end
#
#  51  ILE QG1  67  LEU QD
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 7.1064, r4= 7.8624,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 783,784,
igr2= 1029,1030,1031,1033,1034,1035,
&end
#
#  51  ILE QG2  52  ASN HA
 &rst iat= -1,794, r1= 0, r2= 0, r3= 6.48, r4= 7.08,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 779,780,781,
&end
#
#  51  ILE QG2  52  ASN H
 &rst iat= -1,792, r1= 0, r2= 0, r3= 4.44, r4= 5.04,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 779,780,781,
&end
#
#  51  ILE QG2  53  GLU HA
 &rst iat= -1,808, r1= 0, r2= 0, r3= 6.48, r4= 7.08,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 779,780,781,
&end
#
#  51  ILE QG2  53  GLU QB
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.5104, r4= 6.1824,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 779,780,781,
igr2= 810,811,
&end
#
#  51  ILE QG2  53  GLU QG
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.9136, r4= 6.5856,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 779,780,781,
igr2= 813,814,
&end
#
#  51  ILE QG2  53  GLU H
 &rst iat= -1,806, r1= 0, r2= 0, r3= 4.56, r4= 5.16,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 779,780,781,
&end
#
#  51  ILE QG2  67  LEU QD
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 9.72, r4= 10.53,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 779,780,781,
igr2= 1029,1030,1031,1033,1034,1035,
&end
#
#  51  ILE QG2  68  PHE HA
 &rst iat= -1,1041, r1= 0, r2= 0, r3= 7.2, r4= 7.8,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 779,780,781,
&end
#
#  51  ILE QG2  68  PHE QD
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.8544, r4= 7.5264,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 779,780,781,
igr2= 1047,1055,
&end
#
#  51  ILE QG2  69  ARG HE
 &rst iat= -1,1072, r1= 0, r2= 0, r3= 5.52, r4= 6.12,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 779,780,781,
&end
#
#  51  ILE H  53  GLU QB
 &rst iat= 773, -1, r1= 0, r2= 0, r3= 5.376, r4= 5.936,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 810,811,
&end
#
#  51  ILE H  67  LEU QD
 &rst iat= 773, -1, r1= 0, r2= 0, r3= 7.155, r4= 7.83,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1029,1030,1031,1033,1034,1035,
&end
#
#  51  ILE H  68  PHE HA
 &rst iat= 773,1041, r1= 0, r2= 0, r3= 5, r4= 5.5,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  52  ASN HA  53  GLU H
 &rst iat= 794,806, r1= 0, r2= 0, r3= 2.8, r4= 3.3,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  52  ASN QB  53  GLU H
 &rst iat= -1,806, r1= 0, r2= 0, r3= 5.264, r4= 5.824,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 796,797,
&end
#
#  52  ASN H  53  GLU H
 &rst iat= 792,806, r1= 0, r2= 0, r3= 4.6, r4= 5.1,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  53  GLU HA  54  ASP H
 &rst iat= 808,821, r1= 0, r2= 0, r3= 2.6, r4= 3.1,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  53  GLU QB  54  ASP H
 &rst iat= -1,821, r1= 0, r2= 0, r3= 3.808, r4= 4.368,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 810,811,
&end
#
#  53  GLU QB  55  CYS H
 &rst iat= -1,833, r1= 0, r2= 0, r3= 5.712, r4= 6.272,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 810,811,
&end
#
#  53  GLU QB  68  PHE H
 &rst iat= -1,1039, r1= 0, r2= 0, r3= 5.824, r4= 6.384,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 810,811,
&end
#
#  53  GLU QG  54  ASP H
 &rst iat= -1,821, r1= 0, r2= 0, r3= 3.808, r4= 4.368,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 813,814,
&end
#
#  53  GLU H  54  ASP H
 &rst iat= 806,821, r1= 0, r2= 0, r3= 4.6, r4= 5.1,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  53  GLU H  68  PHE QB
 &rst iat= 806, -1, r1= 0, r2= 0, r3= 5.6, r4= 6.16,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1043,1044,
&end
#
#  53  GLU H  69  ARG QB
 &rst iat= 806, -1, r1= 0, r2= 0, r3= 4.144, r4= 4.704,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1063,1064,
&end
#
#  53  GLU H  69  ARG HE
 &rst iat= 806,1072, r1= 0, r2= 0, r3= 4.8, r4= 5.3,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  53  GLU H  69  ARG H
 &rst iat= 806,1059, r1= 0, r2= 0, r3= 4.3, r4= 4.8,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  54  ASP HA  55  CYS QB
 &rst iat= 823, -1, r1= 0, r2= 0, r3= 5.488, r4= 6.048,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 838,837,
&end
#
#  54  ASP HA  55  CYS H
 &rst iat= 823,833, r1= 0, r2= 0, r3= 2.8, r4= 3.3,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  54  ASP HA  68  PHE QB
 &rst iat= 823, -1, r1= 0, r2= 0, r3= 5.488, r4= 6.048,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1043,1044,
&end
#
#  54  ASP HA  69  ARG QB
 &rst iat= 823, -1, r1= 0, r2= 0, r3= 4.368, r4= 4.928,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1063,1064,
&end
#
#  54  ASP HA  69  ARG H
 &rst iat= 823,1059, r1= 0, r2= 0, r3= 4.4, r4= 4.9,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  54  ASP QB  55  CYS H
 &rst iat= -1,833, r1= 0, r2= 0, r3= 5.264, r4= 5.824,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 825,826,
&end
#
#  54  ASP H  55  CYS H
 &rst iat= 821,833, r1= 0, r2= 0, r3= 4.8, r4= 5.3,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  55  CYS HA  56  ARG H
 &rst iat= 835,843, r1= 0, r2= 0, r3= 3.2, r4= 3.7,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  55  CYS HA  57  PHE H
 &rst iat= 835,867, r1= 0, r2= 0, r3= 4.8, r4= 5.3,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  55  CYS QB  58  GLY H
 &rst iat= -1,887, r1= 0, r2= 0, r3= 3.808, r4= 4.368,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 838,837,
&end
#
#  55  CYS QB  68  PHE QB
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.51936, r4= 6.14656,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 838,837,
igr2= 1043,1044,
&end
#
#  55  CYS QB  68  PHE H
 &rst iat= -1,1039, r1= 0, r2= 0, r3= 5.6, r4= 6.16,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 838,837,
&end
#
#  55  CYS QB  69  ARG H
 &rst iat= -1,1059, r1= 0, r2= 0, r3= 5.6, r4= 6.16,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 838,837,
&end
#
#  55  CYS QB  70  HIS HD2
 &rst iat= -1,1096, r1= 0, r2= 0, r3= 4.032, r4= 4.592,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 838,837,
&end
#
#  55  CYS H  56  ARG H
 &rst iat= 833,843, r1= 0, r2= 0, r3= 5.1, r4= 5.6,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  55  CYS H  58  GLY H
 &rst iat= 833,887, r1= 0, r2= 0, r3= 4.9, r4= 5.4,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  55  CYS H  68  PHE HA
 &rst iat= 833,1041, r1= 0, r2= 0, r3= 4.9, r4= 5.4,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  55  CYS H  68  PHE QB
 &rst iat= 833, -1, r1= 0, r2= 0, r3= 4.928, r4= 5.488,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1043,1044,
&end
#
#  55  CYS H  68  PHE QD
 &rst iat= 833, -1, r1= 0, r2= 0, r3= 6.72, r4= 7.28,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1047,1055,
&end
#
#  55  CYS H  69  ARG HA
 &rst iat= 833,1061, r1= 0, r2= 0, r3= 4.9, r4= 5.4,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  55  CYS H  69  ARG QB
 &rst iat= 833, -1, r1= 0, r2= 0, r3= 5.152, r4= 5.712,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1063,1064,
&end
#
#  55  CYS H  69  ARG H
 &rst iat= 833,1059, r1= 0, r2= 0, r3= 4.5, r4= 5,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  55  CYS H  70  HIS H
 &rst iat= 833,1083, r1= 0, r2= 0, r3= 5.2, r4= 5.7,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  56  ARG HA  57  PHE H
 &rst iat= 845,867, r1= 0, r2= 0, r3= 4.2, r4= 4.7,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  56  ARG QB  57  PHE H
 &rst iat= -1,867, r1= 0, r2= 0, r3= 5.376, r4= 5.936,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 847,848,
&end
#
#  56  ARG QD  57  PHE QD
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.51936, r4= 6.14656,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 853,854,
igr2= 875,883,
&end
#
#  56  ARG QG  57  PHE QD
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.51936, r4= 6.14656,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 850,851,
igr2= 875,883,
&end
#
#  56  ARG QG  57  PHE H
 &rst iat= -1,867, r1= 0, r2= 0, r3= 5.264, r4= 5.824,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 850,851,
&end
#
#  56  ARG QG  68  PHE QD
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.51936, r4= 6.14656,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 850,851,
igr2= 1047,1055,
&end
#
#  56  ARG H  57  PHE QB
 &rst iat= 843, -1, r1= 0, r2= 0, r3= 5.264, r4= 5.824,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 871,872,
&end
#
#  57  PHE HA  58  GLY H
 &rst iat= 869,887, r1= 0, r2= 0, r3= 4.1, r4= 4.6,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  57  PHE HA  61  CYS H
 &rst iat= 869,924, r1= 0, r2= 0, r3= 4.9, r4= 5.4,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  57  PHE QB  58  GLY H
 &rst iat= -1,887, r1= 0, r2= 0, r3= 5.6, r4= 6.16,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 871,872,
&end
#
#  57  PHE QB  60  ASN H
 &rst iat= -1,910, r1= 0, r2= 0, r3= 5.264, r4= 5.824,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 871,872,
&end
#
#  57  PHE QB  61  CYS H
 &rst iat= -1,924, r1= 0, r2= 0, r3= 3.472, r4= 4.032,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 871,872,
&end
#
#  57  PHE QD  58  GLY H
 &rst iat= -1,887, r1= 0, r2= 0, r3= 5.6, r4= 6.16,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 875,883,
&end
#
#  57  PHE QD  60  ASN HA
 &rst iat= -1,912, r1= 0, r2= 0, r3= 6.944, r4= 7.504,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 875,883,
&end
#
#  57  PHE QD  61  CYS H
 &rst iat= -1,924, r1= 0, r2= 0, r3= 4.816, r4= 5.376,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 875,883,
&end
#
#  57  PHE H  58  GLY H
 &rst iat= 867,887, r1= 0, r2= 0, r3= 2.9, r4= 3.4,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  58  GLY QA  59  VAL QG
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 7.7112, r4= 8.4672,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 889,890,
igr2= 900,901,902,904,905,906,
&end
#
#  58  GLY QA  59  VAL QG
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 7.1064, r4= 7.8624,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 889,890,
igr2= 900,901,902,904,905,906,
&end
#
#  58  GLY QA  59  VAL H
 &rst iat= -1,894, r1= 0, r2= 0, r3= 3.024, r4= 3.584,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 889,890,
&end
#
#  58  GLY QA  60  ASN H
 &rst iat= -1,910, r1= 0, r2= 0, r3= 5.488, r4= 6.048,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 889,890,
&end
#
#  58  GLY QA  70  HIS HA
 &rst iat= -1,1085, r1= 0, r2= 0, r3= 5.264, r4= 5.824,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 889,890,
&end
#
#  58  GLY QA  70  HIS HD2
 &rst iat= -1,1096, r1= 0, r2= 0, r3= 4.48, r4= 5.04,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 889,890,
&end
#
#  58  GLY H  59  VAL QG
 &rst iat= 887, -1, r1= 0, r2= 0, r3= 8.37, r4= 9.045,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 900,901,902,904,905,906,
&end
#
#  58  GLY H  59  VAL QG
 &rst iat= 887, -1, r1= 0, r2= 0, r3= 7.965, r4= 8.64,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 900,901,902,904,905,906,
&end
#
#  58  GLY H  59  VAL H
 &rst iat= 887,894, r1= 0, r2= 0, r3= 4.3, r4= 4.8,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  58  GLY H  60  ASN H
 &rst iat= 887,910, r1= 0, r2= 0, r3= 4.8, r4= 5.3,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  58  GLY H  61  CYS QB
 &rst iat= 887, -1, r1= 0, r2= 0, r3= 5.488, r4= 6.048,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 929,928,
&end
#
#  58  GLY H  61  CYS H
 &rst iat= 887,924, r1= 0, r2= 0, r3= 5.2, r4= 5.7,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  58  GLY H  70  HIS QB
 &rst iat= 887, -1, r1= 0, r2= 0, r3= 5.6, r4= 6.16,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1087,1088,
&end
#
#  59  VAL HA  60  ASN H
 &rst iat= 896,910, r1= 0, r2= 0, r3= 3.3, r4= 3.8,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  59  VAL HA  61  CYS H
 &rst iat= 896,924, r1= 0, r2= 0, r3= 4.9, r4= 5.4,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  59  VAL HA  75  VAL H
 &rst iat= 896,1159, r1= 0, r2= 0, r3= 4.8, r4= 5.3,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  59  VAL HB  60  ASN H
 &rst iat= 898,910, r1= 0, r2= 0, r3= 5.4, r4= 5.9,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  59  VAL HB  74  ARG HA
 &rst iat= 898,1137, r1= 0, r2= 0, r3= 4.8, r4= 5.3,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  59  VAL HB  75  VAL H
 &rst iat= 898,1159, r1= 0, r2= 0, r3= 4.8, r4= 5.3,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  59  VAL QG  60  ASN HA
 &rst iat= -1,912, r1= 0, r2= 0, r3= 6.885, r4= 7.56,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 900,901,902,904,905,906,
&end
#
#  59  VAL QG  60  ASN QD2
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 7.4088, r4= 8.1648,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 900,901,902,904,905,906,
igr2= 919,920,
&end
#
#  59  VAL QG  60  ASN H
 &rst iat= -1,910, r1= 0, r2= 0, r3= 5.805, r4= 6.48,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 900,901,902,904,905,906,
&end
#
#  59  VAL QG  61  CYS H
 &rst iat= -1,924, r1= 0, r2= 0, r3= 7.29, r4= 7.965,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 900,901,902,904,905,906,
&end
#
#  59  VAL QG  70  HIS HA
 &rst iat= -1,1085, r1= 0, r2= 0, r3= 7.965, r4= 8.64,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 900,901,902,904,905,906,
&end
#
#  59  VAL QG  71  PRO QB
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 7.2576, r4= 8.0136,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 900,901,902,904,905,906,
igr2= 1107,1108,
&end
#
#  59  VAL QG  71  PRO QD
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 7.2576, r4= 8.0136,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 900,901,902,904,905,906,
igr2= 1101,1102,
&end
#
#  59  VAL QG  73  GLY H
 &rst iat= -1,1128, r1= 0, r2= 0, r3= 8.37, r4= 9.045,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 900,901,902,904,905,906,
&end
#
#  59  VAL QG  74  ARG HA
 &rst iat= -1,1137, r1= 0, r2= 0, r3= 5.94, r4= 6.615,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 900,901,902,904,905,906,
&end
#
#  59  VAL QG  74  ARG H
 &rst iat= -1,1135, r1= 0, r2= 0, r3= 5.535, r4= 6.21,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 900,901,902,904,905,906,
&end
#
#  59  VAL QG  60  ASN QB
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 8.7696, r4= 9.5256,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 900,901,902,904,905,906,
igr2= 914,915,
&end
#
#  59  VAL QG  60  ASN QD2
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 7.8624, r4= 8.6184,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 900,901,902,904,905,906,
igr2= 919,920,
&end
#
#  59  VAL QG  60  ASN H
 &rst iat= -1,910, r1= 0, r2= 0, r3= 6.21, r4= 6.885,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 900,901,902,904,905,906,
&end
#
#  59  VAL QG  71  PRO QB
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 7.2576, r4= 8.0136,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 900,901,902,904,905,906,
igr2= 1107,1108,
&end
#
#  59  VAL QG  71  PRO QD
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 8.0136, r4= 8.7696,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 900,901,902,904,905,906,
igr2= 1101,1102,
&end
#
#  59  VAL QG  71  PRO QG
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.804, r4= 7.56,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 900,901,902,904,905,906,
igr2= 1104,1105,
&end
#
#  59  VAL QG  74  ARG HA
 &rst iat= -1,1137, r1= 0, r2= 0, r3= 6.21, r4= 6.885,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 900,901,902,904,905,906,
&end
#
#  59  VAL QG  74  ARG QB
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 7.1064, r4= 7.8624,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 900,901,902,904,905,906,
igr2= 1139,1140,
&end
#
#  59  VAL QG  74  ARG QD
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 8.1648, r4= 8.9208,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 900,901,902,904,905,906,
igr2= 1145,1146,
&end
#
#  59  VAL QG  74  ARG H
 &rst iat= -1,1135, r1= 0, r2= 0, r3= 6.615, r4= 7.29,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 900,901,902,904,905,906,
&end
#
#  59  VAL H  60  ASN HA
 &rst iat= 894,912, r1= 0, r2= 0, r3= 5.2, r4= 5.7,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  59  VAL H  60  ASN QB
 &rst iat= 894, -1, r1= 0, r2= 0, r3= 5.824, r4= 6.384,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 914,915,
&end
#
#  59  VAL H  60  ASN QD2
 &rst iat= 894, -1, r1= 0, r2= 0, r3= 4.032, r4= 4.592,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 919,920,
&end
#
#  59  VAL H  60  ASN H
 &rst iat= 894,910, r1= 0, r2= 0, r3= 3, r4= 3.5,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  59  VAL H  61  CYS H
 &rst iat= 894,924, r1= 0, r2= 0, r3= 4.9, r4= 5.4,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  59  VAL H  70  HIS QB
 &rst iat= 894, -1, r1= 0, r2= 0, r3= 5.824, r4= 6.384,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1087,1088,
&end
#
#  59  VAL H  71  PRO QD
 &rst iat= 894, -1, r1= 0, r2= 0, r3= 5.488, r4= 6.048,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1101,1102,
&end
#
#  59  VAL H  71  PRO QG
 &rst iat= 894, -1, r1= 0, r2= 0, r3= 3.696, r4= 4.256,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1104,1105,
&end
#
#  60  ASN HA  61  CYS H
 &rst iat= 912,924, r1= 0, r2= 0, r3= 4.2, r4= 4.7,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  60  ASN QB  61  CYS H
 &rst iat= -1,924, r1= 0, r2= 0, r3= 4.144, r4= 4.704,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 914,915,
&end
#
#  60  ASN H  61  CYS QB
 &rst iat= 910, -1, r1= 0, r2= 0, r3= 5.824, r4= 6.384,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 929,928,
&end
#
#  60  ASN H  61  CYS H
 &rst iat= 910,924, r1= 0, r2= 0, r3= 2.8, r4= 3.3,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  61  CYS HA  62  LYS H
 &rst iat= 926,934, r1= 0, r2= 0, r3= 3, r4= 3.5,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  61  CYS HA  63  ASN H
 &rst iat= 926,956, r1= 0, r2= 0, r3= 4.8, r4= 5.3,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  61  CYS HA  76  LEU QD
 &rst iat= 926, -1, r1= 0, r2= 0, r3= 7.56, r4= 8.235,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1184,1185,1186,1188,1189,1190,
&end
#
#  61  CYS QB  70  HIS HD2
 &rst iat= -1,1096, r1= 0, r2= 0, r3= 4.032, r4= 4.592,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 929,928,
&end
#
#  61  CYS QB  76  LEU QD
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 8.7696, r4= 9.5256,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 929,928,
igr2= 1184,1185,1186,1188,1189,1190,
&end
#
#  62  LYS HA  63  ASN H
 &rst iat= 936,956, r1= 0, r2= 0, r3= 3.4, r4= 3.9,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  62  LYS HA  76  LEU QD
 &rst iat= 936, -1, r1= 0, r2= 0, r3= 5.94, r4= 6.615,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1184,1185,1186,1188,1189,1190,
&end
#
#  62  LYS QB  63  ASN H
 &rst iat= -1,956, r1= 0, r2= 0, r3= 5.376, r4= 5.936,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 938,939,
&end
#
#  62  LYS QE  75  VAL QG
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 8.6184, r4= 9.3744,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 947,948,
igr2= 1165,1166,1167,1169,1170,1171,
&end
#
#  62  LYS QE  76  LEU QD
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 8.9208, r4= 9.6768,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 947,948,
igr2= 1184,1185,1186,1188,1189,1190,
&end
#
#  62  LYS QG  63  ASN H
 &rst iat= -1,956, r1= 0, r2= 0, r3= 5.712, r4= 6.272,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 941,942,
&end
#
#  62  LYS H  63  ASN QB
 &rst iat= 934, -1, r1= 0, r2= 0, r3= 6.384, r4= 6.944,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 960,961,
&end
#
#  62  LYS H  63  ASN H
 &rst iat= 934,956, r1= 0, r2= 0, r3= 3.2, r4= 3.7,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  63  ASN HA  64  ILE QD1
 &rst iat= 958, -1, r1= 0, r2= 0, r3= 6.24, r4= 6.84,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 983,984,985,
&end
#
#  63  ASN HA  64  ILE QG2
 &rst iat= 958, -1, r1= 0, r2= 0, r3= 6.96, r4= 7.56,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 976,977,978,
&end
#
#  63  ASN HA  64  ILE H
 &rst iat= 958,970, r1= 0, r2= 0, r3= 2.7, r4= 3.2,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  63  ASN QB  64  ILE H
 &rst iat= -1,970, r1= 0, r2= 0, r3= 5.824, r4= 6.384,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 960,961,
&end
#
#  63  ASN QD2  65  TYR QB
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.52288, r4= 7.15008,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 965,966,
igr2= 993,994,
&end
#
#  63  ASN QD2  65  TYR QD
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.26848, r4= 5.89568,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 965,966,
igr2= 997,1006,
&end
#
#  63  ASN QD2  65  TYR QE
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.39392, r4= 6.02112,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 965,966,
igr2= 999,1004,
&end
#
#  63  ASN QD2  66  CYS QB
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.272, r4= 6.8992,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 965,966,
igr2= 1015,1014,
&end
#
#  63  ASN H  64  ILE H
 &rst iat= 956,970, r1= 0, r2= 0, r3= 5, r4= 5.5,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  63  ASN H  66  CYS QB
 &rst iat= 956, -1, r1= 0, r2= 0, r3= 4.816, r4= 5.376,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1015,1014,
&end
#
#  64  ILE HA  65  TYR H
 &rst iat= 972,989, r1= 0, r2= 0, r3= 3.4, r4= 3.9,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  64  ILE HA  66  CYS H
 &rst iat= 972,1010, r1= 0, r2= 0, r3= 4.4, r4= 4.9,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  64  ILE HA  76  LEU QD
 &rst iat= 972, -1, r1= 0, r2= 0, r3= 5.94, r4= 6.615,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1184,1185,1186,1188,1189,1190,
&end
#
#  64  ILE HB  65  TYR QE
 &rst iat= 974, -1, r1= 0, r2= 0, r3= 5.712, r4= 6.272,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 999,1004,
&end
#
#  64  ILE HB  65  TYR H
 &rst iat= 974,989, r1= 0, r2= 0, r3= 4.7, r4= 5.2,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  64  ILE QD1  65  TYR QD
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 7.6608, r4= 8.3328,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 983,984,985,
igr2= 997,1006,
&end
#
#  64  ILE QD1  65  TYR QE
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.9888, r4= 7.6608,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 983,984,985,
igr2= 999,1004,
&end
#
#  64  ILE QD1  65  TYR H
 &rst iat= -1,989, r1= 0, r2= 0, r3= 6.12, r4= 6.72,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 983,984,985,
&end
#
#  64  ILE QD1  66  CYS H
 &rst iat= -1,1010, r1= 0, r2= 0, r3= 7.08, r4= 7.68,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 983,984,985,
&end
#
#  64  ILE QD1  76  LEU QB
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.9888, r4= 7.6608,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 983,984,985,
igr2= 1179,1180,
&end
#
#  64  ILE QD1  76  LEU QD
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 7.776, r4= 8.586,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 983,984,985,
igr2= 1184,1185,1186,1188,1189,1190,
&end
#
#  64  ILE QD1  77  PRO QB
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 7.5264, r4= 8.1984,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 983,984,985,
igr2= 1201,1202,
&end
#
#  64  ILE QD1  77  PRO QD
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.4512, r4= 7.1232,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 983,984,985,
igr2= 1195,1196,
&end
#
#  64  ILE QD1  77  PRO QG
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 7.392, r4= 8.064,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 983,984,985,
igr2= 1198,1199,
&end
#
#  64  ILE QG1  65  TYR QD
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.39392, r4= 6.02112,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 980,981,
igr2= 997,1006,
&end
#
#  64  ILE QG1  65  TYR QE
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 4.76672, r4= 5.39392,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 980,981,
igr2= 999,1004,
&end
#
#  64  ILE QG1  65  TYR H
 &rst iat= -1,989, r1= 0, r2= 0, r3= 5.488, r4= 6.048,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 980,981,
&end
#
#  64  ILE QG1  77  PRO QD
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.89568, r4= 6.52288,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 980,981,
igr2= 1195,1196,
&end
#
#  64  ILE QG2  65  TYR HA
 &rst iat= -1,991, r1= 0, r2= 0, r3= 6.48, r4= 7.08,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 976,977,978,
&end
#
#  64  ILE QG2  65  TYR QB
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.72, r4= 7.392,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 976,977,978,
igr2= 993,994,
&end
#
#  64  ILE QG2  65  TYR QD
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 7.392, r4= 8.064,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 976,977,978,
igr2= 997,1006,
&end
#
#  64  ILE QG2  65  TYR QE
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 7.5264, r4= 8.1984,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 976,977,978,
igr2= 999,1004,
&end
#
#  64  ILE QG2  65  TYR H
 &rst iat= -1,989, r1= 0, r2= 0, r3= 4.68, r4= 5.28,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 976,977,978,
&end
#
#  64  ILE QG2  76  LEU HA
 &rst iat= -1,1177, r1= 0, r2= 0, r3= 6.96, r4= 7.56,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 976,977,978,
&end
#
#  64  ILE QG2  76  LEU QB
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.3168, r4= 6.9888,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 976,977,978,
igr2= 1179,1180,
&end
#
#  64  ILE QG2  77  PRO QB
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 8.064, r4= 8.736,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 976,977,978,
igr2= 1201,1202,
&end
#
#  64  ILE QG2  77  PRO QD
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 7.392, r4= 8.064,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 976,977,978,
igr2= 1195,1196,
&end
#
#  64  ILE QG2  77  PRO QG
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.5856, r4= 7.2576,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 976,977,978,
igr2= 1198,1199,
&end
#
#  64  ILE H  65  TYR H
 &rst iat= 970,989, r1= 0, r2= 0, r3= 3.1, r4= 3.6,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  64  ILE H  66  CYS H
 &rst iat= 970,1010, r1= 0, r2= 0, r3= 4.9, r4= 5.4,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  65  TYR HA  66  CYS H
 &rst iat= 991,1010, r1= 0, r2= 0, r3= 4.6, r4= 5.1,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  65  TYR QB  66  CYS H
 &rst iat= -1,1010, r1= 0, r2= 0, r3= 5.376, r4= 5.936,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 993,994,
&end
#
#  65  TYR QB  67  LEU QD
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 8.9208, r4= 9.6768,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 993,994,
igr2= 1029,1030,1031,1033,1034,1035,
&end
#
#  65  TYR QD  66  CYS H
 &rst iat= -1,1010, r1= 0, r2= 0, r3= 6.16, r4= 6.72,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 997,1006,
&end
#
#  65  TYR H  66  CYS QB
 &rst iat= 989, -1, r1= 0, r2= 0, r3= 4.144, r4= 4.704,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1015,1014,
&end
#
#  65  TYR H  66  CYS H
 &rst iat= 989,1010, r1= 0, r2= 0, r3= 2.9, r4= 3.4,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  66  CYS HA  67  LEU H
 &rst iat= 1012,1020, r1= 0, r2= 0, r3= 2.8, r4= 3.3,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  66  CYS HA  68  PHE H
 &rst iat= 1012,1039, r1= 0, r2= 0, r3= 4.6, r4= 5.1,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  66  CYS QB  70  HIS HE1
 &rst iat= -1,1092, r1= 0, r2= 0, r3= 3.696, r4= 4.256,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1015,1014,
&end
#
#  66  CYS H  67  LEU QD
 &rst iat= 1010, -1, r1= 0, r2= 0, r3= 7.83, r4= 8.505,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1029,1030,1031,1033,1034,1035,
&end
#
#  66  CYS H  67  LEU H
 &rst iat= 1010,1020, r1= 0, r2= 0, r3= 5.1, r4= 5.6,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  66  CYS H  70  HIS HE1
 &rst iat= 1010,1092, r1= 0, r2= 0, r3= 4.5, r4= 5,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  67  LEU HA  68  PHE H
 &rst iat= 1022,1039, r1= 0, r2= 0, r3= 3.3, r4= 3.8,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  67  LEU QB  68  PHE H
 &rst iat= -1,1039, r1= 0, r2= 0, r3= 5.6, r4= 6.16,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1024,1025,
&end
#
#  67  LEU QD  68  PHE H
 &rst iat= -1,1039, r1= 0, r2= 0, r3= 8.1, r4= 8.775,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1029,1030,1031,1033,1034,1035,
&end
#
#  67  LEU H  68  PHE H
 &rst iat= 1020,1039, r1= 0, r2= 0, r3= 3.1, r4= 3.6,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  68  PHE HA  69  ARG H
 &rst iat= 1041,1059, r1= 0, r2= 0, r3= 3.2, r4= 3.7,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  68  PHE QB  69  ARG H
 &rst iat= -1,1059, r1= 0, r2= 0, r3= 3.92, r4= 4.48,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1043,1044,
&end
#
#  68  PHE H  70  HIS HE1
 &rst iat= 1039,1092, r1= 0, r2= 0, r3= 4.5, r4= 5,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  69  ARG HA  70  HIS H
 &rst iat= 1061,1083, r1= 0, r2= 0, r3= 2.6, r4= 3.1,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  69  ARG QB  70  HIS H
 &rst iat= -1,1083, r1= 0, r2= 0, r3= 3.584, r4= 4.144,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1063,1064,
&end
#
#  70  HIS HA  71  PRO QB
 &rst iat= 1085, -1, r1= 0, r2= 0, r3= 5.376, r4= 5.936,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1107,1108,
&end
#
#  70  HIS HA  71  PRO QD
 &rst iat= 1085, -1, r1= 0, r2= 0, r3= 4.48, r4= 5.04,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1101,1102,
&end
#
#  70  HIS HA  71  PRO QG
 &rst iat= 1085, -1, r1= 0, r2= 0, r3= 4.928, r4= 5.488,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1104,1105,
&end
#
#  70  HIS QB  71  PRO QD
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.6448, r4= 6.272,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1087,1088,
igr2= 1101,1102,
&end
#
#  70  HIS HD2  71  PRO QD
 &rst iat= 1096, -1, r1= 0, r2= 0, r3= 4.704, r4= 5.264,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1101,1102,
&end
#
#  70  HIS H  71  PRO QD
 &rst iat= 1083, -1, r1= 0, r2= 0, r3= 5.376, r4= 5.936,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1101,1102,
&end
#
#  71  PRO HA  72  PRO QD
 &rst iat= 1110, -1, r1= 0, r2= 0, r3= 4.144, r4= 4.704,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1115,1116,
&end
#
#  71  PRO QB  72  PRO QD
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.26848, r4= 5.89568,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1107,1108,
igr2= 1115,1116,
&end
#
#  71  PRO QB  74  ARG QB
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.39744, r4= 7.02464,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1107,1108,
igr2= 1139,1140,
&end
#
#  71  PRO QD  72  PRO QD
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.77024, r4= 6.39744,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1101,1102,
igr2= 1115,1116,
&end
#
#  71  PRO QD  74  ARG QB
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.77376, r4= 7.40096,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1101,1102,
igr2= 1139,1140,
&end
#
#  72  PRO HA  73  GLY H
 &rst iat= 1124,1128, r1= 0, r2= 0, r3= 2.8, r4= 3.3,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  72  PRO HA  74  ARG H
 &rst iat= 1124,1135, r1= 0, r2= 0, r3= 4.7, r4= 5.2,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  72  PRO QB  73  GLY H
 &rst iat= -1,1128, r1= 0, r2= 0, r3= 5.264, r4= 5.824,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1121,1122,
&end
#
#  72  PRO QG  73  GLY H
 &rst iat= -1,1128, r1= 0, r2= 0, r3= 5.488, r4= 6.048,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1118,1119,
&end
#
#  73  GLY QA  74  ARG H
 &rst iat= -1,1135, r1= 0, r2= 0, r3= 4.704, r4= 5.264,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1130,1131,
&end
#
#  73  GLY H  74  ARG H
 &rst iat= 1128,1135, r1= 0, r2= 0, r3= 3.1, r4= 3.6,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  74  ARG HA  75  VAL QG
 &rst iat= 1137, -1, r1= 0, r2= 0, r3= 6.75, r4= 7.425,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1165,1166,1167,1169,1170,1171,
&end
#
#  74  ARG HA  75  VAL H
 &rst iat= 1137,1159, r1= 0, r2= 0, r3= 3.2, r4= 3.7,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  74  ARG QB  75  VAL H
 &rst iat= -1,1159, r1= 0, r2= 0, r3= 4.48, r4= 5.04,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1139,1140,
&end
#
#  74  ARG QB  76  LEU QD
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 7.1064, r4= 7.8624,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1139,1140,
igr2= 1184,1185,1186,1188,1189,1190,
&end
#
#  74  ARG QD  75  VAL H
 &rst iat= -1,1159, r1= 0, r2= 0, r3= 5.6, r4= 6.16,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1145,1146,
&end
#
#  74  ARG QD  76  LEU QD
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 7.7112, r4= 8.4672,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1145,1146,
igr2= 1184,1185,1186,1188,1189,1190,
&end
#
#  74  ARG HE  76  LEU QD
 &rst iat= 1148, -1, r1= 0, r2= 0, r3= 6.885, r4= 7.56,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1184,1185,1186,1188,1189,1190,
&end
#
#  74  ARG QG  75  VAL H
 &rst iat= -1,1159, r1= 0, r2= 0, r3= 4.816, r4= 5.376,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1142,1143,
&end
#
#  74  ARG H  75  VAL HA
 &rst iat= 1135,1161, r1= 0, r2= 0, r3= 5.2, r4= 5.7,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  74  ARG H  75  VAL H
 &rst iat= 1135,1159, r1= 0, r2= 0, r3= 4.5, r4= 5,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  75  VAL HA  76  LEU QB
 &rst iat= 1161, -1, r1= 0, r2= 0, r3= 4.704, r4= 5.264,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1179,1180,
&end
#
#  75  VAL HA  76  LEU QD
 &rst iat= 1161, -1, r1= 0, r2= 0, r3= 7.155, r4= 7.83,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1184,1185,1186,1188,1189,1190,
&end
#
#  75  VAL HA  76  LEU HG
 &rst iat= 1161,1182, r1= 0, r2= 0, r3= 4.3, r4= 4.8,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  75  VAL HA  76  LEU H
 &rst iat= 1161,1175, r1= 0, r2= 0, r3= 2.9, r4= 3.4,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  75  VAL HB  76  LEU H
 &rst iat= 1163,1175, r1= 0, r2= 0, r3= 4, r4= 4.5,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  75  VAL QG  76  LEU H
 &rst iat= -1,1175, r1= 0, r2= 0, r3= 5.67, r4= 6.345,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1165,1166,1167,1169,1170,1171,
&end
#
#  75  VAL QG  76  LEU HA
 &rst iat= -1,1177, r1= 0, r2= 0, r3= 7.965, r4= 8.64,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1165,1166,1167,1169,1170,1171,
&end
#
#  75  VAL QG  76  LEU QB
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 7.8624, r4= 8.6184,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1165,1166,1167,1169,1170,1171,
igr2= 1179,1180,
&end
#
#  75  VAL QG  76  LEU HG
 &rst iat= -1,1182, r1= 0, r2= 0, r3= 7.02, r4= 7.695,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1165,1166,1167,1169,1170,1171,
&end
#
#  75  VAL QG  76  LEU H
 &rst iat= -1,1175, r1= 0, r2= 0, r3= 5.535, r4= 6.21,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1165,1166,1167,1169,1170,1171,
&end
#
#  75  VAL QG  77  PRO HA
 &rst iat= -1,1204, r1= 0, r2= 0, r3= 7.425, r4= 8.1,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1165,1166,1167,1169,1170,1171,
&end
#
#  75  VAL H  76  LEU QD
 &rst iat= 1159, -1, r1= 0, r2= 0, r3= 7.965, r4= 8.64,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1184,1185,1186,1188,1189,1190,
&end
#
#  75  VAL H  76  LEU H
 &rst iat= 1159,1175, r1= 0, r2= 0, r3= 4.4, r4= 4.9,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  76  LEU HA  77  PRO QD
 &rst iat= 1177, -1, r1= 0, r2= 0, r3= 3.808, r4= 4.368,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1195,1196,
&end
#
#  76  LEU HA  77  PRO QG
 &rst iat= 1177, -1, r1= 0, r2= 0, r3= 4.704, r4= 5.264,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1198,1199,
&end
#
#  76  LEU QB  77  PRO QD
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.0176, r4= 5.6448,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1179,1180,
igr2= 1195,1196,
&end
#
#  76  LEU QD  77  PRO QB
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 8.1648, r4= 8.9208,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1184,1185,1186,1188,1189,1190,
igr2= 1201,1202,
&end
#
#  76  LEU QD  77  PRO QD
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.1992, r4= 6.9552,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1184,1185,1186,1188,1189,1190,
igr2= 1195,1196,
&end
#
#  76  LEU QD  77  PRO QG
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 7.1064, r4= 7.8624,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1184,1185,1186,1188,1189,1190,
igr2= 1198,1199,
&end
#
#  76  LEU H  77  PRO QD
 &rst iat= 1175, -1, r1= 0, r2= 0, r3= 5.376, r4= 5.936,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1195,1196,
&end
#
#  77  PRO HA  78  GLU H
 &rst iat= 1204,1208, r1= 0, r2= 0, r3= 2.4, r4= 2.9,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  77  PRO QB  78  GLU H
 &rst iat= -1,1208, r1= 0, r2= 0, r3= 4.256, r4= 4.816,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1201,1202,
&end
#
#  78  GLU HA  79  LYS H
 &rst iat= 1210,1223, r1= 0, r2= 0, r3= 2.5, r4= 3,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  78  GLU QB  79  LYS H
 &rst iat= -1,1223, r1= 0, r2= 0, r3= 4.704, r4= 5.264,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1212,1213,
&end
#
#  78  GLU QG  79  LYS H
 &rst iat= -1,1223, r1= 0, r2= 0, r3= 5.376, r4= 5.936,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1215,1216,
&end
#
#  79  LYS HA  80  LYS H
 &rst iat= 1225,1245, r1= 0, r2= 0, r3= 2.7, r4= 3.2,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  79  LYS QB  80  LYS H
 &rst iat= -1,1245, r1= 0, r2= 0, r3= 5.264, r4= 5.824,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1227,1228,
&end
#
#  79  LYS H  80  LYS H
 &rst iat= 1223,1245, r1= 0, r2= 0, r3= 4.5, r4= 5,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  7  LYS HA  8  SER H
 &rst iat= 79,99, r1= 0, r2= 0, r3= 3.1, r4= 3.6,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  12  CYS HA  27  HIS HD2
 &rst iat= 163,425, r1= 0, r2= 0, r3= 4.8, r4= 5.3,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  23  CYS HA  27  HIS HE1
 &rst iat= 337,421, r1= 0, r2= 0, r3= 4.8, r4= 5.3,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  45  CYS HA  49  HIS HE1
 &rst iat= 688,751, r1= 0, r2= 0, r3= 4.5, r4= 5,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  59  VAL H  59  VAL HB
 &rst iat= 894,898, r1= 0, r2= 0, r3= 4.8, r4= 5.3,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  67  LEU H  67  LEU HG
 &rst iat= 1020,1027, r1= 0, r2= 0, r3= 3.8, r4= 4.3,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#

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