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
	641383	6rh6	34395	cing	1-original	2	AMBER	distance	NOE	simple

# Restraints file 2: NECAP_C_combined_180525.rst
#  2  SER HA  3  PRO HA
 &rst iat= 13,32, r1= 0, r2= 0, r3= 4.6, r4= 5.1,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  2  SER HA  3  PRO QD
 &rst iat= 13, -1, r1= 0, r2= 0, r3= 3.472, r4= 4.032,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 23,24,
&end
#
#  3  PRO HA  4  ASN HA
 &rst iat= 32,38, r1= 0, r2= 0, r3= 5.2, r4= 5.7,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  4  ASN HA  4  ASN QD
 &rst iat= 38, -1, r1= 0, r2= 0, r3= 6.72, r4= 7.28,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 45,46,
&end
#
#  4  ASN HA  5  SER HA
 &rst iat= 38,52, r1= 0, r2= 0, r3= 5.4, r4= 5.9,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  5  SER QB  6  MET H
 &rst iat= -1,61, r1= 0, r2= 0, r3= 5.936, r4= 6.496,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 54,55,
&end
#
#  5  SER HA  7  ALA H
 &rst iat= 52,78, r1= 0, r2= 0, r3= 5.8, r4= 6.3,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  6  MET H  7  ALA QB
 &rst iat= 61, -1, r1= 0, r2= 0, r3= 6, r4= 6.6,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 82,83,84,
&end
#
#  6  MET HA  7  ALA QB
 &rst iat= 63, -1, r1= 0, r2= 0, r3= 6.6, r4= 7.2,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 82,83,84,
&end
#
#  6  MET HA  8  THR H
 &rst iat= 63,88, r1= 0, r2= 0, r3= 5.6, r4= 6.1,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  7  ALA H  7  ALA QB
 &rst iat= 78, -1, r1= 0, r2= 0, r3= 4.8, r4= 5.4,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 82,83,84,
&end
#
#  7  ALA H  8  THR H
 &rst iat= 78,88, r1= 0, r2= 0, r3= 4.4, r4= 4.9,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  7  ALA HA  8  THR H
 &rst iat= 80,88, r1= 0, r2= 0, r3= 3.5, r4= 4,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  7  ALA HA  8  THR QG2
 &rst iat= 80, -1, r1= 0, r2= 0, r3= 6.6, r4= 7.2,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 94,95,96,
&end
#
#  7  ALA QB  8  THR H
 &rst iat= -1,88, r1= 0, r2= 0, r3= 6, r4= 6.6,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 82,83,84,
&end
#
#  7  ALA QB  8  THR HA
 &rst iat= -1,90, r1= 0, r2= 0, r3= 6.48, r4= 7.08,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 82,83,84,
&end
#
#  7  ALA QB  8  THR HB
 &rst iat= -1,92, r1= 0, r2= 0, r3= 6.72, r4= 7.32,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 82,83,84,
&end
#
#  7  ALA H  9  GLU H
 &rst iat= 78,102, r1= 0, r2= 0, r3= 5.9, r4= 6.4,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  7  ALA HA  9  GLU H
 &rst iat= 80,102, r1= 0, r2= 0, r3= 5, r4= 5.5,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  7  ALA QB  9  GLU H
 &rst iat= -1,102, r1= 0, r2= 0, r3= 7.2, r4= 7.8,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 82,83,84,
&end
#
#  8  THR H  8  THR QG2
 &rst iat= 88, -1, r1= 0, r2= 0, r3= 5.76, r4= 6.36,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 94,95,96,
&end
#
#  8  THR HA  8  THR HB
 &rst iat= 90,92, r1= 0, r2= 0, r3= 2.8, r4= 3.3,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  8  THR HA  8  THR QG2
 &rst iat= 90, -1, r1= 0, r2= 0, r3= 3.96, r4= 4.56,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 94,95,96,
&end
#
#  8  THR H  9  GLU H
 &rst iat= 88,102, r1= 0, r2= 0, r3= 4.3, r4= 4.8,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  8  THR HA  9  GLU H
 &rst iat= 90,102, r1= 0, r2= 0, r3= 3.3, r4= 3.8,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  8  THR HB  9  GLU H
 &rst iat= 92,102, r1= 0, r2= 0, r3= 4.3, r4= 4.8,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  8  THR QG2  9  GLU H
 &rst iat= -1,102, r1= 0, r2= 0, r3= 4.92, r4= 5.52,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 94,95,96,
&end
#
#  9  GLU HA  9  GLU QG
 &rst iat= 104, -1, r1= 0, r2= 0, r3= 3.92, r4= 4.48,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 109,110,
&end
#
#  9  GLU H  10  LEU H
 &rst iat= 102,117, r1= 0, r2= 0, r3= 4.6, r4= 5.1,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  9  GLU HA  10  LEU H
 &rst iat= 104,117, r1= 0, r2= 0, r3= 3, r4= 3.5,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  9  GLU HA  10  LEU QB
 &rst iat= 104, -1, r1= 0, r2= 0, r3= 5.936, r4= 6.496,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 121,122,
&end
#
#  9  GLU HA  10  LEU HG
 &rst iat= 104,124, r1= 0, r2= 0, r3= 5.6, r4= 6.1,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  9  GLU QG  10  LEU H
 &rst iat= -1,117, r1= 0, r2= 0, r3= 6.496, r4= 7.056,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 109,110,
&end
#
#  9  GLU QG  10  LEU HA
 &rst iat= -1,119, r1= 0, r2= 0, r3= 5.6, r4= 6.16,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 109,110,
&end
#
#  9  GLU QG  10  LEU QB
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.8992, r4= 7.5264,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 109,110,
igr2= 121,122,
&end
#
#  9  GLU QG  10  LEU HG
 &rst iat= -1,124, r1= 0, r2= 0, r3= 6.72, r4= 7.28,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 109,110,
&end
#
#  9  GLU H  11  GLU H
 &rst iat= 102,136, r1= 0, r2= 0, r3= 5.6, r4= 6.1,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  9  GLU QG  11  GLU H
 &rst iat= -1,136, r1= 0, r2= 0, r3= 5.04, r4= 5.6,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 109,110,
&end
#
#  9  GLU QG  11  GLU HA
 &rst iat= -1,138, r1= 0, r2= 0, r3= 3.92, r4= 4.48,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 109,110,
&end
#
#  9  GLU QG  11  GLU QB
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 4.51584, r4= 5.14304,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 109,110,
igr2= 140,141,
&end
#
#  9  GLU QG  11  GLU QG
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 3.01056, r4= 3.63776,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 109,110,
igr2= 143,144,
&end
#
#  10  LEU H  10  LEU QB
 &rst iat= 117, -1, r1= 0, r2= 0, r3= 4.032, r4= 4.592,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 121,122,
&end
#
#  10  LEU H  10  LEU HG
 &rst iat= 117,124, r1= 0, r2= 0, r3= 3.9, r4= 4.4,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  10  LEU H  10  LEU QD
 &rst iat= 117, -1, r1= 0, r2= 0, r3= 6.48, r4= 7.155,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 126,127,128,130,131,132,
&end
#
#  10  LEU HA  10  LEU HG
 &rst iat= 119,124, r1= 0, r2= 0, r3= 3.6, r4= 4.1,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  10  LEU HA  10  LEU QD
 &rst iat= 119, -1, r1= 0, r2= 0, r3= 4.05, r4= 4.725,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 126,127,128,130,131,132,
&end
#
#  10  LEU QB  10  LEU QD
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.1408, r4= 5.8968,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 121,122,
igr2= 126,127,128,130,131,132,
&end
#
#  10  LEU H  11  GLU QB
 &rst iat= 117, -1, r1= 0, r2= 0, r3= 5.488, r4= 6.048,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 140,141,
&end
#
#  10  LEU HA  11  GLU H
 &rst iat= 119,136, r1= 0, r2= 0, r3= 3.2, r4= 3.7,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  10  LEU QB  11  GLU H
 &rst iat= -1,136, r1= 0, r2= 0, r3= 4.816, r4= 5.376,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 121,122,
&end
#
#  10  LEU HG  11  GLU H
 &rst iat= 124,136, r1= 0, r2= 0, r3= 5.2, r4= 5.7,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  10  LEU QD  11  GLU H
 &rst iat= -1,136, r1= 0, r2= 0, r3= 7.29, r4= 7.965,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 126,127,128,130,131,132,
&end
#
#  10  LEU QD  12  TYR QE
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.048, r4= 6.804,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 126,127,128,130,131,132,
igr2= 161,166,
&end
#
#  11  GLU H  11  GLU QB
 &rst iat= 136, -1, r1= 0, r2= 0, r3= 4.368, r4= 4.928,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 140,141,
&end
#
#  11  GLU H  11  GLU QG
 &rst iat= 136, -1, r1= 0, r2= 0, r3= 5.712, r4= 6.272,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 143,144,
&end
#
#  11  GLU HA  11  GLU QG
 &rst iat= 138, -1, r1= 0, r2= 0, r3= 4.032, r4= 4.592,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 143,144,
&end
#
#  11  GLU HA  12  TYR H
 &rst iat= 138,151, r1= 0, r2= 0, r3= 3, r4= 3.5,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  11  GLU HA  12  TYR QD
 &rst iat= 138, -1, r1= 0, r2= 0, r3= 5.488, r4= 6.048,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 159,168,
&end
#
#  11  GLU QB  12  TYR H
 &rst iat= -1,151, r1= 0, r2= 0, r3= 5.152, r4= 5.712,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 140,141,
&end
#
#  11  GLU QB  12  TYR HA
 &rst iat= -1,153, r1= 0, r2= 0, r3= 5.152, r4= 5.712,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 140,141,
&end
#
#  11  GLU QB  12  TYR QB
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 7.02464, r4= 7.65184,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 140,141,
igr2= 155,156,
&end
#
#  11  GLU HA  57  LYS QD
 &rst iat= 138, -1, r1= 0, r2= 0, r3= 5.376, r4= 5.936,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 897,898,
&end
#
#  11  GLU HA  57  LYS QE
 &rst iat= 138, -1, r1= 0, r2= 0, r3= 5.376, r4= 5.936,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 900,901,
&end
#
#  11  GLU QB  57  LYS QG
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 7.5264, r4= 8.1536,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 140,141,
igr2= 894,895,
&end
#
#  11  GLU QB  57  LYS QD
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.77376, r4= 7.40096,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 140,141,
igr2= 897,898,
&end
#
#  12  TYR H  12  TYR QB
 &rst iat= 151, -1, r1= 0, r2= 0, r3= 3.584, r4= 4.144,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 155,156,
&end
#
#  12  TYR H  12  TYR QD
 &rst iat= 151, -1, r1= 0, r2= 0, r3= 4.704, r4= 5.264,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 159,168,
&end
#
#  12  TYR H  12  TYR QE
 &rst iat= 151, -1, r1= 0, r2= 0, r3= 5.376, r4= 5.936,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 161,166,
&end
#
#  12  TYR HA  12  TYR QB
 &rst iat= 153, -1, r1= 0, r2= 0, r3= 3.136, r4= 3.696,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 155,156,
&end
#
#  12  TYR HA  12  TYR QD
 &rst iat= 153, -1, r1= 0, r2= 0, r3= 4.256, r4= 4.816,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 159,168,
&end
#
#  12  TYR H  13  GLU H
 &rst iat= 151,172, r1= 0, r2= 0, r3= 4.6, r4= 5.1,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  12  TYR H  13  GLU QG
 &rst iat= 151, -1, r1= 0, r2= 0, r3= 6.72, r4= 7.28,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 179,180,
&end
#
#  12  TYR HA  13  GLU H
 &rst iat= 153,172, r1= 0, r2= 0, r3= 2.7, r4= 3.2,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  12  TYR HA  13  GLU HA
 &rst iat= 153,174, r1= 0, r2= 0, r3= 4.9, r4= 5.4,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  12  TYR HA  13  GLU QB
 &rst iat= 153, -1, r1= 0, r2= 0, r3= 5.152, r4= 5.712,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 176,177,
&end
#
#  12  TYR HA  13  GLU QG
 &rst iat= 153, -1, r1= 0, r2= 0, r3= 5.6, r4= 6.16,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 179,180,
&end
#
#  12  TYR QB  13  GLU H
 &rst iat= -1,172, r1= 0, r2= 0, r3= 3.808, r4= 4.368,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 155,156,
&end
#
#  12  TYR QB  13  GLU QB
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.52288, r4= 7.15008,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 155,156,
igr2= 176,177,
&end
#
#  12  TYR QB  13  GLU QG
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.14656, r4= 6.77376,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 155,156,
igr2= 179,180,
&end
#
#  12  TYR QD  13  GLU H
 &rst iat= -1,172, r1= 0, r2= 0, r3= 4.368, r4= 4.928,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 159,168,
&end
#
#  12  TYR QD  13  GLU HA
 &rst iat= -1,174, r1= 0, r2= 0, r3= 5.712, r4= 6.272,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 159,168,
&end
#
#  12  TYR QD  13  GLU QB
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.64832, r4= 7.27552,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 159,168,
igr2= 176,177,
&end
#
#  12  TYR QE  13  GLU H
 &rst iat= -1,172, r1= 0, r2= 0, r3= 5.712, r4= 6.272,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 161,166,
&end
#
#  12  TYR QB  14  SER H
 &rst iat= -1,187, r1= 0, r2= 0, r3= 5.712, r4= 6.272,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 155,156,
&end
#
#  12  TYR QD  14  SER H
 &rst iat= -1,187, r1= 0, r2= 0, r3= 6.72, r4= 7.28,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 159,168,
&end
#
#  12  TYR QD  14  SER QB
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.6448, r4= 6.272,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 159,168,
igr2= 191,192,
&end
#
#  12  TYR QE  14  SER HA
 &rst iat= -1,189, r1= 0, r2= 0, r3= 5.6, r4= 6.16,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 161,166,
&end
#
#  12  TYR QE  14  SER QB
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.26848, r4= 5.89568,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 161,166,
igr2= 191,192,
&end
#
#  12  TYR H  57  LYS QG
 &rst iat= 151, -1, r1= 0, r2= 0, r3= 6.272, r4= 6.832,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 894,895,
&end
#
#  12  TYR H  57  LYS QD
 &rst iat= 151, -1, r1= 0, r2= 0, r3= 6.608, r4= 7.168,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 897,898,
&end
#
#  12  TYR HA  57  LYS QB
 &rst iat= 153, -1, r1= 0, r2= 0, r3= 5.6, r4= 6.16,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 891,892,
&end
#
#  12  TYR HA  57  LYS QG
 &rst iat= 153, -1, r1= 0, r2= 0, r3= 5.824, r4= 6.384,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 894,895,
&end
#
#  12  TYR HA  57  LYS QD
 &rst iat= 153, -1, r1= 0, r2= 0, r3= 6.72, r4= 7.28,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 897,898,
&end
#
#  12  TYR HA  57  LYS QE
 &rst iat= 153, -1, r1= 0, r2= 0, r3= 5.488, r4= 6.048,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 900,901,
&end
#
#  12  TYR QB  57  LYS QB
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.77376, r4= 7.40096,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 155,156,
igr2= 891,892,
&end
#
#  12  TYR QB  57  LYS QE
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.89568, r4= 6.52288,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 155,156,
igr2= 900,901,
&end
#
#  12  TYR QD  57  LYS HA
 &rst iat= -1,889, r1= 0, r2= 0, r3= 5.264, r4= 5.824,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 159,168,
&end
#
#  12  TYR QD  57  LYS QB
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.272, r4= 6.8992,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 159,168,
igr2= 891,892,
&end
#
#  12  TYR QD  57  LYS QG
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.272, r4= 6.8992,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 159,168,
igr2= 894,895,
&end
#
#  12  TYR QD  57  LYS QD
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.77024, r4= 6.39744,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 159,168,
igr2= 897,898,
&end
#
#  12  TYR QD  57  LYS QE
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.89568, r4= 6.52288,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 159,168,
igr2= 900,901,
&end
#
#  12  TYR QE  57  LYS HA
 &rst iat= -1,889, r1= 0, r2= 0, r3= 5.712, r4= 6.272,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 161,166,
&end
#
#  12  TYR QE  57  LYS QB
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.52288, r4= 7.15008,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 161,166,
igr2= 891,892,
&end
#
#  12  TYR QE  57  LYS QD
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 4.76672, r4= 5.39392,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 161,166,
igr2= 897,898,
&end
#
#  12  TYR QE  57  LYS QE
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 7.5264, r4= 8.1536,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 161,166,
igr2= 900,901,
&end
#
#  13  GLU H  13  GLU QB
 &rst iat= 172, -1, r1= 0, r2= 0, r3= 4.144, r4= 4.704,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 176,177,
&end
#
#  13  GLU H  13  GLU QG
 &rst iat= 172, -1, r1= 0, r2= 0, r3= 4.704, r4= 5.264,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 179,180,
&end
#
#  13  GLU HA  13  GLU QG
 &rst iat= 174, -1, r1= 0, r2= 0, r3= 3.92, r4= 4.48,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 179,180,
&end
#
#  13  GLU H  14  SER H
 &rst iat= 172,187, r1= 0, r2= 0, r3= 4.6, r4= 5.1,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  13  GLU H  14  SER HA
 &rst iat= 172,189, r1= 0, r2= 0, r3= 5.6, r4= 6.1,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  13  GLU HA  14  SER H
 &rst iat= 174,187, r1= 0, r2= 0, r3= 3.2, r4= 3.7,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  13  GLU HA  14  SER HA
 &rst iat= 174,189, r1= 0, r2= 0, r3= 4.3, r4= 4.8,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  13  GLU HA  14  SER QB
 &rst iat= 174, -1, r1= 0, r2= 0, r3= 4.704, r4= 5.264,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 191,192,
&end
#
#  13  GLU QB  14  SER H
 &rst iat= -1,187, r1= 0, r2= 0, r3= 5.264, r4= 5.824,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 176,177,
&end
#
#  13  GLU QB  14  SER HA
 &rst iat= -1,189, r1= 0, r2= 0, r3= 6.496, r4= 7.056,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 176,177,
&end
#
#  13  GLU QG  14  SER H
 &rst iat= -1,187, r1= 0, r2= 0, r3= 4.704, r4= 5.264,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 179,180,
&end
#
#  13  GLU QG  14  SER HA
 &rst iat= -1,189, r1= 0, r2= 0, r3= 5.376, r4= 5.936,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 179,180,
&end
#
#  13  GLU QG  14  SER QB
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 7.02464, r4= 7.65184,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 179,180,
igr2= 191,192,
&end
#
#  13  GLU H  55  THR QG2
 &rst iat= 172, -1, r1= 0, r2= 0, r3= 7.2, r4= 7.8,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 868,869,870,
&end
#
#  13  GLU HA  55  THR HB
 &rst iat= 174,866, r1= 0, r2= 0, r3= 5.1, r4= 5.6,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  13  GLU HA  55  THR QG2
 &rst iat= 174, -1, r1= 0, r2= 0, r3= 6.48, r4= 7.08,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 868,869,870,
&end
#
#  13  GLU QB  55  THR HB
 &rst iat= -1,866, r1= 0, r2= 0, r3= 5.376, r4= 5.936,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 176,177,
&end
#
#  13  GLU QG  55  THR H
 &rst iat= -1,862, r1= 0, r2= 0, r3= 6.72, r4= 7.28,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 179,180,
&end
#
#  13  GLU QG  55  THR HA
 &rst iat= -1,864, r1= 0, r2= 0, r3= 5.6, r4= 6.16,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 179,180,
&end
#
#  13  GLU QG  55  THR HB
 &rst iat= -1,866, r1= 0, r2= 0, r3= 4.48, r4= 5.04,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 179,180,
&end
#
#  13  GLU QG  55  THR QG2
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.9136, r4= 6.5856,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 179,180,
igr2= 868,869,870,
&end
#
#  13  GLU H  56  SER H
 &rst iat= 172,876, r1= 0, r2= 0, r3= 6, r4= 6.5,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  13  GLU HA  56  SER H
 &rst iat= 174,876, r1= 0, r2= 0, r3= 5, r4= 5.5,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  13  GLU HA  56  SER HA
 &rst iat= 174,878, r1= 0, r2= 0, r3= 5, r4= 5.5,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  13  GLU QG  56  SER H
 &rst iat= -1,876, r1= 0, r2= 0, r3= 5.376, r4= 5.936,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 179,180,
&end
#
#  13  GLU QG  56  SER HA
 &rst iat= -1,878, r1= 0, r2= 0, r3= 6.496, r4= 7.056,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 179,180,
&end
#
#  13  GLU H  57  LYS HA
 &rst iat= 172,889, r1= 0, r2= 0, r3= 5.9, r4= 6.4,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  13  GLU H  57  LYS QG
 &rst iat= 172, -1, r1= 0, r2= 0, r3= 5.376, r4= 5.936,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 894,895,
&end
#
#  13  GLU H  57  LYS QD
 &rst iat= 172, -1, r1= 0, r2= 0, r3= 6.72, r4= 7.28,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 897,898,
&end
#
#  13  GLU H  57  LYS QE
 &rst iat= 172, -1, r1= 0, r2= 0, r3= 6.16, r4= 6.72,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 900,901,
&end
#
#  13  GLU HA  57  LYS H
 &rst iat= 174,887, r1= 0, r2= 0, r3= 3.6, r4= 4.1,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  13  GLU HA  57  LYS HA
 &rst iat= 174,889, r1= 0, r2= 0, r3= 3.2, r4= 3.7,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  13  GLU HA  57  LYS QB
 &rst iat= 174, -1, r1= 0, r2= 0, r3= 3.92, r4= 4.48,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 891,892,
&end
#
#  13  GLU HA  57  LYS QG
 &rst iat= 174, -1, r1= 0, r2= 0, r3= 4.368, r4= 4.928,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 894,895,
&end
#
#  13  GLU HA  57  LYS QD
 &rst iat= 174, -1, r1= 0, r2= 0, r3= 5.712, r4= 6.272,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 897,898,
&end
#
#  13  GLU HA  57  LYS QE
 &rst iat= 174, -1, r1= 0, r2= 0, r3= 5.936, r4= 6.496,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 900,901,
&end
#
#  13  GLU QB  57  LYS H
 &rst iat= -1,887, r1= 0, r2= 0, r3= 6.72, r4= 7.28,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 176,177,
&end
#
#  13  GLU QB  57  LYS HA
 &rst iat= -1,889, r1= 0, r2= 0, r3= 5.936, r4= 6.496,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 176,177,
&end
#
#  13  GLU QB  57  LYS QB
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 3.7632, r4= 4.3904,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 176,177,
igr2= 891,892,
&end
#
#  13  GLU QB  57  LYS QG
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.14656, r4= 6.77376,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 176,177,
igr2= 894,895,
&end
#
#  13  GLU QB  57  LYS QD
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.52288, r4= 7.15008,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 176,177,
igr2= 897,898,
&end
#
#  13  GLU QB  57  LYS QE
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.272, r4= 6.8992,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 176,177,
igr2= 900,901,
&end
#
#  13  GLU QG  57  LYS HA
 &rst iat= -1,889, r1= 0, r2= 0, r3= 6.72, r4= 7.28,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 179,180,
&end
#
#  13  GLU QB  62  TYR QD
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.77024, r4= 6.39744,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 176,177,
igr2= 970,979,
&end
#
#  13  GLU QB  64  LYS QD
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 7.5264, r4= 8.1536,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 176,177,
igr2= 1012,1013,
&end
#
#  13  GLU QB  64  LYS QE
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 7.40096, r4= 8.02816,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 176,177,
igr2= 1015,1016,
&end
#
#  13  GLU QG  64  LYS QD
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.89568, r4= 6.52288,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 179,180,
igr2= 1012,1013,
&end
#
#  13  GLU QG  64  LYS QE
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.0176, r4= 5.6448,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 179,180,
igr2= 1015,1016,
&end
#
#  14  SER H  14  SER QB
 &rst iat= 187, -1, r1= 0, r2= 0, r3= 3.696, r4= 4.256,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 191,192,
&end
#
#  14  SER HA  14  SER QB
 &rst iat= 189, -1, r1= 0, r2= 0, r3= 3.36, r4= 3.92,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 191,192,
&end
#
#  14  SER H  15  VAL H
 &rst iat= 187,198, r1= 0, r2= 0, r3= 4.8, r4= 5.3,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  14  SER H  15  VAL HA
 &rst iat= 187,200, r1= 0, r2= 0, r3= 6, r4= 6.5,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  14  SER H  15  VAL QG
 &rst iat= 187, -1, r1= 0, r2= 0, r3= 8.1, r4= 8.775,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 204,205,206,208,209,210,
&end
#
#  14  SER HA  15  VAL H
 &rst iat= 189,198, r1= 0, r2= 0, r3= 3.1, r4= 3.6,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  14  SER HA  15  VAL HA
 &rst iat= 189,200, r1= 0, r2= 0, r3= 4.9, r4= 5.4,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  14  SER HA  15  VAL HB
 &rst iat= 189,202, r1= 0, r2= 0, r3= 4.8, r4= 5.3,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  14  SER HA  15  VAL QG
 &rst iat= 189, -1, r1= 0, r2= 0, r3= 5.67, r4= 6.345,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 204,205,206,208,209,210,
&end
#
#  14  SER QB  15  VAL H
 &rst iat= -1,198, r1= 0, r2= 0, r3= 3.808, r4= 4.368,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 191,192,
&end
#
#  14  SER QB  15  VAL HA
 &rst iat= -1,200, r1= 0, r2= 0, r3= 5.6, r4= 6.16,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 191,192,
&end
#
#  14  SER QB  15  VAL HB
 &rst iat= -1,202, r1= 0, r2= 0, r3= 6.384, r4= 6.944,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 191,192,
&end
#
#  14  SER QB  15  VAL QG
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 7.4088, r4= 8.1648,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 191,192,
igr2= 204,205,206,208,209,210,
&end
#
#  14  SER H  16  LEU QD
 &rst iat= 187, -1, r1= 0, r2= 0, r3= 8.1, r4= 8.775,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 223,224,225,227,228,229,
&end
#
#  14  SER HA  16  LEU QD
 &rst iat= 189, -1, r1= 0, r2= 0, r3= 7.155, r4= 7.83,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 223,224,225,227,228,229,
&end
#
#  14  SER QB  16  LEU H
 &rst iat= -1,214, r1= 0, r2= 0, r3= 6.72, r4= 7.28,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 191,192,
&end
#
#  14  SER QB  16  LEU HA
 &rst iat= -1,216, r1= 0, r2= 0, r3= 6.048, r4= 6.608,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 191,192,
&end
#
#  14  SER QB  16  LEU HG
 &rst iat= -1,221, r1= 0, r2= 0, r3= 5.376, r4= 5.936,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 191,192,
&end
#
#  14  SER QB  16  LEU QD
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.4432, r4= 6.1992,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 191,192,
igr2= 223,224,225,227,228,229,
&end
#
#  14  SER H  55  THR HA
 &rst iat= 187,864, r1= 0, r2= 0, r3= 5.3, r4= 5.8,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  14  SER H  55  THR HB
 &rst iat= 187,866, r1= 0, r2= 0, r3= 5, r4= 5.5,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  14  SER H  55  THR QG2
 &rst iat= 187, -1, r1= 0, r2= 0, r3= 6.24, r4= 6.84,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 868,869,870,
&end
#
#  14  SER HA  55  THR HB
 &rst iat= 189,866, r1= 0, r2= 0, r3= 5, r4= 5.5,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  14  SER HA  55  THR QG2
 &rst iat= 189, -1, r1= 0, r2= 0, r3= 5.88, r4= 6.48,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 868,869,870,
&end
#
#  14  SER QB  55  THR HA
 &rst iat= -1,864, r1= 0, r2= 0, r3= 5.488, r4= 6.048,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 191,192,
&end
#
#  14  SER QB  55  THR HB
 &rst iat= -1,866, r1= 0, r2= 0, r3= 6.496, r4= 7.056,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 191,192,
&end
#
#  14  SER H  56  SER H
 &rst iat= 187,876, r1= 0, r2= 0, r3= 4, r4= 4.5,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  14  SER H  56  SER QB
 &rst iat= 187, -1, r1= 0, r2= 0, r3= 5.6, r4= 6.16,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 880,881,
&end
#
#  14  SER QB  56  SER H
 &rst iat= -1,876, r1= 0, r2= 0, r3= 4.816, r4= 5.376,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 191,192,
&end
#
#  14  SER QB  56  SER QB
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.14656, r4= 6.77376,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 191,192,
igr2= 880,881,
&end
#
#  14  SER H  57  LYS H
 &rst iat= 187,887, r1= 0, r2= 0, r3= 4.7, r4= 5.2,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  14  SER H  57  LYS HA
 &rst iat= 187,889, r1= 0, r2= 0, r3= 4.8, r4= 5.3,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  14  SER H  57  LYS QB
 &rst iat= 187, -1, r1= 0, r2= 0, r3= 4.704, r4= 5.264,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 891,892,
&end
#
#  14  SER H  57  LYS QG
 &rst iat= 187, -1, r1= 0, r2= 0, r3= 5.488, r4= 6.048,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 894,895,
&end
#
#  14  SER QB  57  LYS QG
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 7.5264, r4= 8.1536,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 191,192,
igr2= 894,895,
&end
#
#  14  SER H  58  GLY H
 &rst iat= 187,909, r1= 0, r2= 0, r3= 6, r4= 6.5,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  15  VAL H  15  VAL HB
 &rst iat= 198,202, r1= 0, r2= 0, r3= 3.5, r4= 4,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  15  VAL H  15  VAL QG
 &rst iat= 198, -1, r1= 0, r2= 0, r3= 4.455, r4= 5.13,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 204,205,206,208,209,210,
&end
#
#  15  VAL HA  15  VAL QG
 &rst iat= 200, -1, r1= 0, r2= 0, r3= 4.59, r4= 5.265,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 204,205,206,208,209,210,
&end
#
#  15  VAL H  16  LEU H
 &rst iat= 198,214, r1= 0, r2= 0, r3= 4.8, r4= 5.3,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  15  VAL H  16  LEU HA
 &rst iat= 198,216, r1= 0, r2= 0, r3= 6, r4= 6.5,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  15  VAL H  16  LEU HG
 &rst iat= 198,221, r1= 0, r2= 0, r3= 6, r4= 6.5,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  15  VAL H  16  LEU QD
 &rst iat= 198, -1, r1= 0, r2= 0, r3= 7.02, r4= 7.695,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 223,224,225,227,228,229,
&end
#
#  15  VAL HA  16  LEU HA
 &rst iat= 200,216, r1= 0, r2= 0, r3= 5, r4= 5.5,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  15  VAL HA  16  LEU HG
 &rst iat= 200,221, r1= 0, r2= 0, r3= 5, r4= 5.5,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  15  VAL HA  16  LEU QD
 &rst iat= 200, -1, r1= 0, r2= 0, r3= 6.345, r4= 7.02,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 223,224,225,227,228,229,
&end
#
#  15  VAL HB  16  LEU H
 &rst iat= 202,214, r1= 0, r2= 0, r3= 4.9, r4= 5.4,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  15  VAL QG  16  LEU H
 &rst iat= -1,214, r1= 0, r2= 0, r3= 5.265, r4= 5.94,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 204,205,206,208,209,210,
&end
#
#  15  VAL QG  16  LEU HA
 &rst iat= -1,216, r1= 0, r2= 0, r3= 6.75, r4= 7.425,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 204,205,206,208,209,210,
&end
#
#  15  VAL QG  16  LEU HG
 &rst iat= -1,221, r1= 0, r2= 0, r3= 7.155, r4= 7.83,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 204,205,206,208,209,210,
&end
#
#  15  VAL QG  16  LEU QD
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 8.20125, r4= 9.1125,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 204,205,206,208,209,210,
igr2= 223,224,225,227,228,229,
&end
#
#  15  VAL HA  17  CYS H
 &rst iat= 200,233, r1= 0, r2= 0, r3= 4.2, r4= 4.7,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  15  VAL HB  17  CYS H
 &rst iat= 202,233, r1= 0, r2= 0, r3= 6, r4= 6.5,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  15  VAL QG  17  CYS H
 &rst iat= -1,233, r1= 0, r2= 0, r3= 4.995, r4= 5.67,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 204,205,206,208,209,210,
&end
#
#  15  VAL QG  17  CYS HA
 &rst iat= -1,235, r1= 0, r2= 0, r3= 7.425, r4= 8.1,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 204,205,206,208,209,210,
&end
#
#  15  VAL QG  18  VAL H
 &rst iat= -1,244, r1= 0, r2= 0, r3= 8.1, r4= 8.775,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 204,205,206,208,209,210,
&end
#
#  15  VAL QG  18  VAL HA
 &rst iat= -1,246, r1= 0, r2= 0, r3= 6.75, r4= 7.425,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 204,205,206,208,209,210,
&end
#
#  15  VAL HB  53  ARG HE
 &rst iat= 202,832, r1= 0, r2= 0, r3= 6, r4= 6.5,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  15  VAL QG  53  ARG HA
 &rst iat= -1,821, r1= 0, r2= 0, r3= 7.425, r4= 8.1,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 204,205,206,208,209,210,
&end
#
#  15  VAL QG  53  ARG QG
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 7.1064, r4= 7.8624,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 204,205,206,208,209,210,
igr2= 826,827,
&end
#
#  15  VAL QG  53  ARG QD
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.804, r4= 7.56,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 204,205,206,208,209,210,
igr2= 829,830,
&end
#
#  15  VAL QG  53  ARG HE
 &rst iat= -1,832, r1= 0, r2= 0, r3= 6.885, r4= 7.56,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 204,205,206,208,209,210,
&end
#
#  15  VAL HA  54  ILE H
 &rst iat= 200,843, r1= 0, r2= 0, r3= 6, r4= 6.5,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  15  VAL HA  54  ILE QG2
 &rst iat= 200, -1, r1= 0, r2= 0, r3= 6.84, r4= 7.44,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 849,850,851,
&end
#
#  15  VAL QG  54  ILE H
 &rst iat= -1,843, r1= 0, r2= 0, r3= 6.345, r4= 7.02,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 204,205,206,208,209,210,
&end
#
#  15  VAL QG  54  ILE QG2
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 8.586, r4= 9.396,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 204,205,206,208,209,210,
igr2= 849,850,851,
&end
#
#  15  VAL H  55  THR HA
 &rst iat= 198,864, r1= 0, r2= 0, r3= 5.3, r4= 5.8,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  15  VAL H  55  THR HB
 &rst iat= 198,866, r1= 0, r2= 0, r3= 6, r4= 6.5,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  15  VAL HA  55  THR H
 &rst iat= 200,862, r1= 0, r2= 0, r3= 5.9, r4= 6.4,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  15  VAL HA  55  THR HA
 &rst iat= 200,864, r1= 0, r2= 0, r3= 3.8, r4= 4.3,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  15  VAL HA  55  THR HB
 &rst iat= 200,866, r1= 0, r2= 0, r3= 4.6, r4= 5.1,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  15  VAL HA  55  THR QG2
 &rst iat= 200, -1, r1= 0, r2= 0, r3= 4.44, r4= 5.04,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 868,869,870,
&end
#
#  15  VAL HB  55  THR HA
 &rst iat= 202,864, r1= 0, r2= 0, r3= 5, r4= 5.5,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  15  VAL HB  55  THR QG2
 &rst iat= 202, -1, r1= 0, r2= 0, r3= 7.08, r4= 7.68,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 868,869,870,
&end
#
#  15  VAL QG  55  THR HA
 &rst iat= -1,864, r1= 0, r2= 0, r3= 5.805, r4= 6.48,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 204,205,206,208,209,210,
&end
#
#  15  VAL QG  55  THR HB
 &rst iat= -1,866, r1= 0, r2= 0, r3= 7.425, r4= 8.1,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 204,205,206,208,209,210,
&end
#
#  15  VAL H  56  SER H
 &rst iat= 198,876, r1= 0, r2= 0, r3= 5.2, r4= 5.7,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  15  VAL HA  56  SER H
 &rst iat= 200,876, r1= 0, r2= 0, r3= 4.9, r4= 5.4,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  15  VAL QG  56  SER H
 &rst iat= -1,876, r1= 0, r2= 0, r3= 7.83, r4= 8.505,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 204,205,206,208,209,210,
&end
#
#  16  LEU H  16  LEU HG
 &rst iat= 214,221, r1= 0, r2= 0, r3= 4.2, r4= 4.7,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  16  LEU H  16  LEU QD
 &rst iat= 214, -1, r1= 0, r2= 0, r3= 5.535, r4= 6.21,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 223,224,225,227,228,229,
&end
#
#  16  LEU HA  16  LEU QD
 &rst iat= 216, -1, r1= 0, r2= 0, r3= 4.32, r4= 4.995,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 223,224,225,227,228,229,
&end
#
#  16  LEU QB  16  LEU QD
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.048, r4= 6.804,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 218,219,
igr2= 223,224,225,227,228,229,
&end
#
#  16  LEU H  17  CYS H
 &rst iat= 214,233, r1= 0, r2= 0, r3= 3.7, r4= 4.2,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  16  LEU H  17  CYS HA
 &rst iat= 214,235, r1= 0, r2= 0, r3= 5.4, r4= 5.9,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  16  LEU H  17  CYS QB
 &rst iat= 214, -1, r1= 0, r2= 0, r3= 6.608, r4= 7.168,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 237,238,
&end
#
#  16  LEU QB  17  CYS H
 &rst iat= -1,233, r1= 0, r2= 0, r3= 5.6, r4= 6.16,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 218,219,
&end
#
#  16  LEU HG  17  CYS H
 &rst iat= 221,233, r1= 0, r2= 0, r3= 4.9, r4= 5.4,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  16  LEU QD  17  CYS H
 &rst iat= -1,233, r1= 0, r2= 0, r3= 5.805, r4= 6.48,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 223,224,225,227,228,229,
&end
#
#  16  LEU QD  17  CYS HA
 &rst iat= -1,235, r1= 0, r2= 0, r3= 8.1, r4= 8.775,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 223,224,225,227,228,229,
&end
#
#  16  LEU H  53  ARG HA
 &rst iat= 214,821, r1= 0, r2= 0, r3= 6, r4= 6.5,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  16  LEU H  53  ARG QD
 &rst iat= 214, -1, r1= 0, r2= 0, r3= 6.72, r4= 7.28,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 829,830,
&end
#
#  16  LEU H  54  ILE H
 &rst iat= 214,843, r1= 0, r2= 0, r3= 5, r4= 5.5,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  16  LEU H  54  ILE HB
 &rst iat= 214,847, r1= 0, r2= 0, r3= 5.2, r4= 5.7,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  16  LEU H  54  ILE QG2
 &rst iat= 214, -1, r1= 0, r2= 0, r3= 6.24, r4= 6.84,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 849,850,851,
&end
#
#  16  LEU HA  54  ILE QG2
 &rst iat= 216, -1, r1= 0, r2= 0, r3= 6.36, r4= 6.96,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 849,850,851,
&end
#
#  16  LEU QB  54  ILE H
 &rst iat= -1,843, r1= 0, r2= 0, r3= 6.384, r4= 6.944,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 218,219,
&end
#
#  16  LEU QB  54  ILE HB
 &rst iat= -1,847, r1= 0, r2= 0, r3= 5.6, r4= 6.16,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 218,219,
&end
#
#  16  LEU QB  54  ILE QG2
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.2416, r4= 5.9136,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 218,219,
igr2= 849,850,851,
&end
#
#  16  LEU QB  54  ILE QD1
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 7.392, r4= 8.064,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 218,219,
igr2= 856,857,858,
&end
#
#  16  LEU HG  54  ILE QG2
 &rst iat= 221, -1, r1= 0, r2= 0, r3= 6.48, r4= 7.08,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 849,850,851,
&end
#
#  16  LEU QD  54  ILE HA
 &rst iat= -1,845, r1= 0, r2= 0, r3= 7.155, r4= 7.83,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 223,224,225,227,228,229,
&end
#
#  16  LEU QD  54  ILE HB
 &rst iat= -1,847, r1= 0, r2= 0, r3= 7.425, r4= 8.1,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 223,224,225,227,228,229,
&end
#
#  16  LEU QD  54  ILE QG2
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.508, r4= 6.318,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 223,224,225,227,228,229,
igr2= 849,850,851,
&end
#
#  16  LEU QD  54  ILE QD1
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 7.29, r4= 8.1,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 223,224,225,227,228,229,
igr2= 856,857,858,
&end
#
#  16  LEU H  55  THR HA
 &rst iat= 214,864, r1= 0, r2= 0, r3= 4.2, r4= 4.7,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  16  LEU H  55  THR QG2
 &rst iat= 214, -1, r1= 0, r2= 0, r3= 5.16, r4= 5.76,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 868,869,870,
&end
#
#  16  LEU HG  55  THR HA
 &rst iat= 221,864, r1= 0, r2= 0, r3= 4.9, r4= 5.4,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  16  LEU HG  55  THR QG2
 &rst iat= 221, -1, r1= 0, r2= 0, r3= 6.72, r4= 7.32,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 868,869,870,
&end
#
#  16  LEU QD  55  THR H
 &rst iat= -1,862, r1= 0, r2= 0, r3= 6.615, r4= 7.29,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 223,224,225,227,228,229,
&end
#
#  16  LEU QD  55  THR HA
 &rst iat= -1,864, r1= 0, r2= 0, r3= 6.75, r4= 7.425,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 223,224,225,227,228,229,
&end
#
#  16  LEU H  56  SER H
 &rst iat= 214,876, r1= 0, r2= 0, r3= 5.6, r4= 6.1,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  16  LEU HG  56  SER H
 &rst iat= 221,876, r1= 0, r2= 0, r3= 5, r4= 5.5,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  16  LEU HG  56  SER HA
 &rst iat= 221,878, r1= 0, r2= 0, r3= 6, r4= 6.5,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  16  LEU HG  56  SER QB
 &rst iat= 221, -1, r1= 0, r2= 0, r3= 5.6, r4= 6.16,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 880,881,
&end
#
#  16  LEU QD  56  SER H
 &rst iat= -1,876, r1= 0, r2= 0, r3= 6.48, r4= 7.155,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 223,224,225,227,228,229,
&end
#
#  16  LEU QD  56  SER HA
 &rst iat= -1,878, r1= 0, r2= 0, r3= 6.75, r4= 7.425,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 223,224,225,227,228,229,
&end
#
#  16  LEU QD  56  SER QB
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.7456, r4= 6.5016,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 223,224,225,227,228,229,
igr2= 880,881,
&end
#
#  16  LEU QD  57  LYS H
 &rst iat= -1,887, r1= 0, r2= 0, r3= 8.1, r4= 8.775,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 223,224,225,227,228,229,
&end
#
#  16  LEU QD  61  ALA HA
 &rst iat= -1,954, r1= 0, r2= 0, r3= 7.155, r4= 7.83,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 223,224,225,227,228,229,
&end
#
#  16  LEU QD  61  ALA QB
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.48, r4= 7.29,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 223,224,225,227,228,229,
igr2= 956,957,958,
&end
#
#  16  LEU QD  62  TYR H
 &rst iat= -1,962, r1= 0, r2= 0, r3= 8.1, r4= 8.775,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 223,224,225,227,228,229,
&end
#
#  16  LEU QD  63  ILE QD1
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 9.72, r4= 10.53,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 223,224,225,227,228,229,
igr2= 996,997,998,
&end
#
#  16  LEU QB  127  SER QB
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.89568, r4= 6.52288,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 218,219,
igr2= 1961,1962,
&end
#
#  16  LEU QD  127  SER HA
 &rst iat= -1,1959, r1= 0, r2= 0, r3= 7.155, r4= 7.83,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 223,224,225,227,228,229,
&end
#
#  16  LEU QD  127  SER QB
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 7.56, r4= 8.316,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 223,224,225,227,228,229,
igr2= 1961,1962,
&end
#
#  16  LEU QD  128  LEU HA
 &rst iat= -1,1970, r1= 0, r2= 0, r3= 6.48, r4= 7.155,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 223,224,225,227,228,229,
&end
#
#  16  LEU QD  128  LEU QD
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 8.56575, r4= 9.477,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 223,224,225,227,228,229,
igr2= 1977,1978,1979,1981,1982,1983,
&end
#
#  16  LEU QD  130  ASP H
 &rst iat= -1,2004, r1= 0, r2= 0, r3= 8.1, r4= 8.775,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 223,224,225,227,228,229,
&end
#
#  16  LEU QD  131  HIS H
 &rst iat= -1,2016, r1= 0, r2= 0, r3= 6.885, r4= 7.56,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 223,224,225,227,228,229,
&end
#
#  16  LEU QD  131  HIS HA
 &rst iat= -1,2018, r1= 0, r2= 0, r3= 5.94, r4= 6.615,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 223,224,225,227,228,229,
&end
#
#  16  LEU QD  131  HIS QB
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.3504, r4= 7.1064,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 223,224,225,227,228,229,
igr2= 2020,2021,
&end
#
#  16  LEU QD  131  HIS HE1
 &rst iat= -1,2025, r1= 0, r2= 0, r3= 6.75, r4= 7.425,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 223,224,225,227,228,229,
&end
#
#  16  LEU QD  132  PHE H
 &rst iat= -1,2033, r1= 0, r2= 0, r3= 8.1, r4= 8.775,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 223,224,225,227,228,229,
&end
#
#  17  CYS H  18  VAL H
 &rst iat= 233,244, r1= 0, r2= 0, r3= 4.6, r4= 5.1,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  17  CYS H  18  VAL HA
 &rst iat= 233,246, r1= 0, r2= 0, r3= 5.6, r4= 6.1,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  17  CYS H  18  VAL HB
 &rst iat= 233,248, r1= 0, r2= 0, r3= 6, r4= 6.5,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  17  CYS HA  18  VAL H
 &rst iat= 235,244, r1= 0, r2= 0, r3= 3, r4= 3.5,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  17  CYS HA  18  VAL HA
 &rst iat= 235,246, r1= 0, r2= 0, r3= 4.7, r4= 5.2,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  17  CYS HA  18  VAL HB
 &rst iat= 235,248, r1= 0, r2= 0, r3= 4.5, r4= 5,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  17  CYS HA  18  VAL QG
 &rst iat= 235, -1, r1= 0, r2= 0, r3= 5.67, r4= 6.345,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 250,251,252,254,255,256,
&end
#
#  17  CYS QB  18  VAL H
 &rst iat= -1,244, r1= 0, r2= 0, r3= 4.928, r4= 5.488,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 237,238,
&end
#
#  17  CYS QB  18  VAL HA
 &rst iat= -1,246, r1= 0, r2= 0, r3= 6.72, r4= 7.28,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 237,238,
&end
#
#  17  CYS QB  18  VAL QG
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 7.8624, r4= 8.6184,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 237,238,
igr2= 250,251,252,254,255,256,
&end
#
#  17  CYS HA  19  LYS H
 &rst iat= 235,260, r1= 0, r2= 0, r3= 6, r4= 6.5,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  17  CYS QB  19  LYS H
 &rst iat= -1,260, r1= 0, r2= 0, r3= 6.72, r4= 7.28,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 237,238,
&end
#
#  17  CYS QB  19  LYS QE
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.52288, r4= 7.15008,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 237,238,
igr2= 273,274,
&end
#
#  17  CYS H  52  LEU QD
 &rst iat= 233, -1, r1= 0, r2= 0, r3= 7.425, r4= 8.1,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 809,810,811,813,814,815,
&end
#
#  17  CYS QB  52  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= 237,238,
igr2= 809,810,811,813,814,815,
&end
#
#  17  CYS H  53  ARG QD
 &rst iat= 233, -1, r1= 0, r2= 0, r3= 6.72, r4= 7.28,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 829,830,
&end
#
#  17  CYS H  54  ILE H
 &rst iat= 233,843, r1= 0, r2= 0, r3= 4.1, r4= 4.6,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  17  CYS H  54  ILE HA
 &rst iat= 233,845, r1= 0, r2= 0, r3= 6, r4= 6.5,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  17  CYS H  54  ILE HB
 &rst iat= 233,847, r1= 0, r2= 0, r3= 4.4, r4= 4.9,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  17  CYS H  54  ILE QG2
 &rst iat= 233, -1, r1= 0, r2= 0, r3= 5.52, r4= 6.12,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 849,850,851,
&end
#
#  17  CYS H  54  ILE QD1
 &rst iat= 233, -1, r1= 0, r2= 0, r3= 6.24, r4= 6.84,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 856,857,858,
&end
#
#  17  CYS HA  54  ILE H
 &rst iat= 235,843, r1= 0, r2= 0, r3= 6, r4= 6.5,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  17  CYS HA  54  ILE QG2
 &rst iat= 235, -1, r1= 0, r2= 0, r3= 6.36, r4= 6.96,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 849,850,851,
&end
#
#  17  CYS HA  54  ILE QD1
 &rst iat= 235, -1, r1= 0, r2= 0, r3= 7.08, r4= 7.68,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 856,857,858,
&end
#
#  17  CYS QB  54  ILE H
 &rst iat= -1,843, r1= 0, r2= 0, r3= 5.376, r4= 5.936,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 237,238,
&end
#
#  17  CYS QB  54  ILE HB
 &rst iat= -1,847, r1= 0, r2= 0, r3= 4.928, r4= 5.488,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 237,238,
&end
#
#  17  CYS QB  54  ILE QG1
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.6448, r4= 6.272,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 237,238,
igr2= 853,854,
&end
#
#  17  CYS QB  54  ILE QG2
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.048, r4= 6.72,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 237,238,
igr2= 849,850,851,
&end
#
#  17  CYS QB  54  ILE QD1
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.5104, r4= 6.1824,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 237,238,
igr2= 856,857,858,
&end
#
#  17  CYS H  55  THR HA
 &rst iat= 233,864, r1= 0, r2= 0, r3= 4.7, r4= 5.2,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  17  CYS H  55  THR QG2
 &rst iat= 233, -1, r1= 0, r2= 0, r3= 6, r4= 6.6,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 868,869,870,
&end
#
#  17  CYS H  127  SER QB
 &rst iat= 233, -1, r1= 0, r2= 0, r3= 6.72, r4= 7.28,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1961,1962,
&end
#
#  17  CYS HA  127  SER QB
 &rst iat= 235, -1, r1= 0, r2= 0, r3= 5.824, r4= 6.384,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1961,1962,
&end
#
#  17  CYS QB  127  SER H
 &rst iat= -1,1957, r1= 0, r2= 0, r3= 6.72, r4= 7.28,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 237,238,
&end
#
#  17  CYS QB  127  SER HA
 &rst iat= -1,1959, r1= 0, r2= 0, r3= 5.712, r4= 6.272,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 237,238,
&end
#
#  17  CYS QB  127  SER QB
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.89568, r4= 6.52288,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 237,238,
igr2= 1961,1962,
&end
#
#  18  VAL H  18  VAL HB
 &rst iat= 244,248, r1= 0, r2= 0, r3= 3.7, r4= 4.2,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  18  VAL H  18  VAL QG
 &rst iat= 244, -1, r1= 0, r2= 0, r3= 4.995, r4= 5.67,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 250,251,252,254,255,256,
&end
#
#  18  VAL HA  18  VAL QG
 &rst iat= 246, -1, r1= 0, r2= 0, r3= 4.725, r4= 5.4,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 250,251,252,254,255,256,
&end
#
#  18  VAL H  19  LYS H
 &rst iat= 244,260, r1= 0, r2= 0, r3= 4.9, r4= 5.4,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  18  VAL H  19  LYS HA
 &rst iat= 244,262, r1= 0, r2= 0, r3= 6, r4= 6.5,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  18  VAL H  19  LYS QD
 &rst iat= 244, -1, r1= 0, r2= 0, r3= 6.72, r4= 7.28,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 270,271,
&end
#
#  18  VAL HA  19  LYS H
 &rst iat= 246,260, r1= 0, r2= 0, r3= 3.5, r4= 4,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  18  VAL QG  19  LYS H
 &rst iat= -1,260, r1= 0, r2= 0, r3= 4.995, r4= 5.67,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 250,251,252,254,255,256,
&end
#
#  18  VAL QG  19  LYS HA
 &rst iat= -1,262, r1= 0, r2= 0, r3= 7.155, r4= 7.83,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 250,251,252,254,255,256,
&end
#
#  18  VAL QG  19  LYS QG
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 8.4672, r4= 9.2232,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 250,251,252,254,255,256,
igr2= 267,268,
&end
#
#  18  VAL QG  19  LYS QE
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 9.072, r4= 9.828,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 250,251,252,254,255,256,
igr2= 273,274,
&end
#
#  18  VAL QG  20  PRO HA
 &rst iat= -1,292, r1= 0, r2= 0, r3= 6.885, r4= 7.56,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 250,251,252,254,255,256,
&end
#
#  18  VAL QG  20  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= 250,251,252,254,255,256,
igr2= 283,284,
&end
#
#  18  VAL QG  51  ARG HA
 &rst iat= -1,778, r1= 0, r2= 0, r3= 7.155, r4= 7.83,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 250,251,252,254,255,256,
&end
#
#  18  VAL QG  51  ARG QB
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 8.9208, r4= 9.6768,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 250,251,252,254,255,256,
igr2= 780,781,
&end
#
#  18  VAL QG  51  ARG QG
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 7.8624, r4= 8.6184,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 250,251,252,254,255,256,
igr2= 783,784,
&end
#
#  18  VAL HA  52  LEU HG
 &rst iat= 246,807, r1= 0, r2= 0, r3= 4.7, r4= 5.2,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  18  VAL HA  52  LEU QD
 &rst iat= 246, -1, r1= 0, r2= 0, r3= 6.345, r4= 7.02,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 809,810,811,813,814,815,
&end
#
#  18  VAL QG  52  LEU H
 &rst iat= -1,800, r1= 0, r2= 0, r3= 7.155, r4= 7.83,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 250,251,252,254,255,256,
&end
#
#  18  VAL H  53  ARG HA
 &rst iat= 244,821, r1= 0, r2= 0, r3= 5, r4= 5.5,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  18  VAL H  53  ARG QD
 &rst iat= 244, -1, r1= 0, r2= 0, r3= 6.72, r4= 7.28,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 829,830,
&end
#
#  18  VAL HA  53  ARG HA
 &rst iat= 246,821, r1= 0, r2= 0, r3= 3.9, r4= 4.4,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  18  VAL HA  53  ARG QB
 &rst iat= 246, -1, r1= 0, r2= 0, r3= 5.376, r4= 5.936,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 823,824,
&end
#
#  18  VAL HA  53  ARG QG
 &rst iat= 246, -1, r1= 0, r2= 0, r3= 5.488, r4= 6.048,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 826,827,
&end
#
#  18  VAL HA  53  ARG QD
 &rst iat= 246, -1, r1= 0, r2= 0, r3= 6.608, r4= 7.168,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 829,830,
&end
#
#  18  VAL HB  53  ARG HA
 &rst iat= 248,821, r1= 0, r2= 0, r3= 4.6, r4= 5.1,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  18  VAL HB  53  ARG QB
 &rst iat= 248, -1, r1= 0, r2= 0, r3= 6.272, r4= 6.832,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 823,824,
&end
#
#  18  VAL HB  53  ARG QG
 &rst iat= 248, -1, r1= 0, r2= 0, r3= 5.376, r4= 5.936,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 826,827,
&end
#
#  18  VAL HB  53  ARG QD
 &rst iat= 248, -1, r1= 0, r2= 0, r3= 4.592, r4= 5.152,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 829,830,
&end
#
#  18  VAL HB  53  ARG HE
 &rst iat= 248,832, r1= 0, r2= 0, r3= 6, r4= 6.5,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  18  VAL QG  53  ARG HA
 &rst iat= -1,821, r1= 0, r2= 0, r3= 5.535, r4= 6.21,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 250,251,252,254,255,256,
&end
#
#  18  VAL QG  53  ARG QB
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.804, r4= 7.56,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 250,251,252,254,255,256,
igr2= 823,824,
&end
#
#  18  VAL QG  53  ARG QG
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.048, r4= 6.804,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 250,251,252,254,255,256,
igr2= 826,827,
&end
#
#  18  VAL QG  53  ARG QD
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.8968, r4= 6.6528,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 250,251,252,254,255,256,
igr2= 829,830,
&end
#
#  18  VAL QG  53  ARG HE
 &rst iat= -1,832, r1= 0, r2= 0, r3= 6.75, r4= 7.425,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 250,251,252,254,255,256,
&end
#
#  18  VAL H  54  ILE H
 &rst iat= 244,843, r1= 0, r2= 0, r3= 5.2, r4= 5.7,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  18  VAL H  54  ILE HB
 &rst iat= 244,847, r1= 0, r2= 0, r3= 6, r4= 6.5,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  18  VAL H  54  ILE QG1
 &rst iat= 244, -1, r1= 0, r2= 0, r3= 6.72, r4= 7.28,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 853,854,
&end
#
#  18  VAL H  54  ILE QD1
 &rst iat= 244, -1, r1= 0, r2= 0, r3= 6.96, r4= 7.56,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 856,857,858,
&end
#
#  18  VAL HA  54  ILE H
 &rst iat= 246,843, r1= 0, r2= 0, r3= 4.2, r4= 4.7,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  18  VAL HB  54  ILE H
 &rst iat= 248,843, r1= 0, r2= 0, r3= 6, r4= 6.5,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  18  VAL QG  54  ILE H
 &rst iat= -1,843, r1= 0, r2= 0, r3= 6.885, r4= 7.56,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 250,251,252,254,255,256,
&end
#
#  19  LYS H  19  LYS QG
 &rst iat= 260, -1, r1= 0, r2= 0, r3= 6.496, r4= 7.056,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 267,268,
&end
#
#  19  LYS HA  19  LYS QD
 &rst iat= 262, -1, r1= 0, r2= 0, r3= 5.04, r4= 5.6,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 270,271,
&end
#
#  19  LYS QB  19  LYS QD
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 4.89216, r4= 5.51936,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 264,265,
igr2= 270,271,
&end
#
#  19  LYS H  20  PRO HA
 &rst iat= 260,292, r1= 0, r2= 0, r3= 6, r4= 6.5,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  19  LYS H  20  PRO QD
 &rst iat= 260, -1, r1= 0, r2= 0, r3= 6.16, r4= 6.72,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 283,284,
&end
#
#  19  LYS HA  20  PRO QG
 &rst iat= 262, -1, r1= 0, r2= 0, r3= 5.264, r4= 5.824,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 286,287,
&end
#
#  19  LYS QB  20  PRO QD
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.39392, r4= 6.02112,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 264,265,
igr2= 283,284,
&end
#
#  19  LYS QG  20  PRO QD
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 7.5264, r4= 8.1536,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 267,268,
igr2= 283,284,
&end
#
#  19  LYS QD  20  PRO QG
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.272, r4= 6.8992,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 270,271,
igr2= 286,287,
&end
#
#  19  LYS QE  20  PRO QG
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.8992, r4= 7.5264,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 273,274,
igr2= 286,287,
&end
#
#  19  LYS QE  20  PRO QD
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.77376, r4= 7.40096,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 273,274,
igr2= 283,284,
&end
#
#  19  LYS HA  21  ASP H
 &rst iat= 262,296, r1= 0, r2= 0, r3= 5.7, r4= 6.2,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  19  LYS QB  21  ASP H
 &rst iat= -1,296, r1= 0, r2= 0, r3= 5.6, r4= 6.16,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 264,265,
&end
#
#  19  LYS H  22  VAL QG
 &rst iat= 260, -1, r1= 0, r2= 0, r3= 8.1, r4= 8.775,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 314,315,316,318,319,320,
&end
#
#  19  LYS QB  22  VAL QG
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 8.4672, r4= 9.2232,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 264,265,
igr2= 314,315,316,318,319,320,
&end
#
#  19  LYS H  52  LEU H
 &rst iat= 260,800, r1= 0, r2= 0, r3= 4.5, r4= 5,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  19  LYS H  52  LEU HG
 &rst iat= 260,807, r1= 0, r2= 0, r3= 5.5, r4= 6,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  19  LYS H  52  LEU QD
 &rst iat= 260, -1, r1= 0, r2= 0, r3= 6.075, r4= 6.75,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 809,810,811,813,814,815,
&end
#
#  19  LYS QB  52  LEU H
 &rst iat= -1,800, r1= 0, r2= 0, r3= 6.048, r4= 6.608,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 264,265,
&end
#
#  19  LYS QG  52  LEU QB
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 7.40096, r4= 8.02816,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 267,268,
igr2= 804,805,
&end
#
#  19  LYS QG  52  LEU QD
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 9.072, r4= 9.828,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 267,268,
igr2= 809,810,811,813,814,815,
&end
#
#  19  LYS H  53  ARG H
 &rst iat= 260,819, r1= 0, r2= 0, r3= 5.6, r4= 6.1,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  19  LYS H  53  ARG HA
 &rst iat= 260,821, r1= 0, r2= 0, r3= 4.5, r4= 5,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  19  LYS H  53  ARG QD
 &rst iat= 260, -1, r1= 0, r2= 0, r3= 6.72, r4= 7.28,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 829,830,
&end
#
#  19  LYS H  54  ILE H
 &rst iat= 260,843, r1= 0, r2= 0, r3= 5.2, r4= 5.7,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  19  LYS H  54  ILE QD1
 &rst iat= 260, -1, r1= 0, r2= 0, r3= 7.2, r4= 7.8,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 856,857,858,
&end
#
#  19  LYS H  115  PHE QE
 &rst iat= 260, -1, r1= 0, r2= 0, r3= 6.384, r4= 6.944,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1786,1790,
&end
#
#  19  LYS QB  115  PHE QE
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.52288, r4= 7.15008,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 264,265,
igr2= 1786,1790,
&end
#
#  19  LYS QB  115  PHE HZ
 &rst iat= -1,1788, r1= 0, r2= 0, r3= 6.72, r4= 7.28,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 264,265,
&end
#
#  19  LYS QG  115  PHE QE
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.52288, r4= 7.15008,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 267,268,
igr2= 1786,1790,
&end
#
#  19  LYS QG  115  PHE HZ
 &rst iat= -1,1788, r1= 0, r2= 0, r3= 6.608, r4= 7.168,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 267,268,
&end
#
#  19  LYS QB  121  ALA HA
 &rst iat= -1,1867, r1= 0, r2= 0, r3= 6.608, r4= 7.168,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 264,265,
&end
#
#  19  LYS QG  121  ALA HA
 &rst iat= -1,1867, r1= 0, r2= 0, r3= 6.272, r4= 6.832,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 267,268,
&end
#
#  19  LYS QD  121  ALA H
 &rst iat= -1,1865, r1= 0, r2= 0, r3= 6.72, r4= 7.28,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 270,271,
&end
#
#  19  LYS QB  123  ASP QB
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 7.15008, r4= 7.77728,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 264,265,
igr2= 1899,1900,
&end
#
#  19  LYS QD  123  ASP H
 &rst iat= -1,1895, r1= 0, r2= 0, r3= 6.72, r4= 7.28,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 270,271,
&end
#
#  19  LYS QD  123  ASP QB
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.51936, r4= 6.14656,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 270,271,
igr2= 1899,1900,
&end
#
#  19  LYS QE  123  ASP H
 &rst iat= -1,1895, r1= 0, r2= 0, r3= 6.72, r4= 7.28,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 273,274,
&end
#
#  19  LYS QE  123  ASP HA
 &rst iat= -1,1897, r1= 0, r2= 0, r3= 6.048, r4= 6.608,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 273,274,
&end
#
#  19  LYS QE  123  ASP QB
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.272, r4= 6.8992,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 273,274,
igr2= 1899,1900,
&end
#
#  20  PRO QB  21  ASP H
 &rst iat= -1,296, r1= 0, r2= 0, r3= 4.816, r4= 5.376,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 289,290,
&end
#
#  20  PRO QB  21  ASP QB
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.39392, r4= 6.02112,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 289,290,
igr2= 300,301,
&end
#
#  20  PRO QG  21  ASP H
 &rst iat= -1,296, r1= 0, r2= 0, r3= 4.368, r4= 4.928,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 286,287,
&end
#
#  20  PRO QG  21  ASP QB
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.77024, r4= 6.39744,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 286,287,
igr2= 300,301,
&end
#
#  20  PRO QD  21  ASP H
 &rst iat= -1,296, r1= 0, r2= 0, r3= 5.488, r4= 6.048,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 283,284,
&end
#
#  20  PRO HA  51  ARG HA
 &rst iat= 292,778, r1= 0, r2= 0, r3= 4.6, r4= 5.1,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  20  PRO HA  51  ARG QB
 &rst iat= 292, -1, r1= 0, r2= 0, r3= 5.264, r4= 5.824,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 780,781,
&end
#
#  20  PRO HA  51  ARG QD
 &rst iat= 292, -1, r1= 0, r2= 0, r3= 5.936, r4= 6.496,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 786,787,
&end
#
#  20  PRO HA  52  LEU H
 &rst iat= 292,800, r1= 0, r2= 0, r3= 5, r4= 5.5,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  20  PRO QD  115  PHE QE
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 7.02464, r4= 7.65184,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 283,284,
igr2= 1786,1790,
&end
#
#  21  ASP H  21  ASP QB
 &rst iat= 296, -1, r1= 0, r2= 0, r3= 4.032, r4= 4.592,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 300,301,
&end
#
#  21  ASP H  22  VAL H
 &rst iat= 296,308, r1= 0, r2= 0, r3= 5.6, r4= 6.1,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  21  ASP H  22  VAL HB
 &rst iat= 296,312, r1= 0, r2= 0, r3= 4.9, r4= 5.4,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  21  ASP H  22  VAL QG
 &rst iat= 296, -1, r1= 0, r2= 0, r3= 8.1, r4= 8.775,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 314,315,316,318,319,320,
&end
#
#  21  ASP HA  22  VAL H
 &rst iat= 298,308, r1= 0, r2= 0, r3= 3.4, r4= 3.9,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  21  ASP HA  22  VAL HA
 &rst iat= 298,310, r1= 0, r2= 0, r3= 4.9, r4= 5.4,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  21  ASP HA  22  VAL HB
 &rst iat= 298,312, r1= 0, r2= 0, r3= 5.1, r4= 5.6,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  21  ASP HA  22  VAL QG
 &rst iat= 298, -1, r1= 0, r2= 0, r3= 5.13, r4= 5.805,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 314,315,316,318,319,320,
&end
#
#  21  ASP QB  22  VAL H
 &rst iat= -1,308, r1= 0, r2= 0, r3= 4.592, r4= 5.152,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 300,301,
&end
#
#  21  ASP QB  22  VAL HA
 &rst iat= -1,310, r1= 0, r2= 0, r3= 6.272, r4= 6.832,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 300,301,
&end
#
#  21  ASP HA  50  GLY H
 &rst iat= 298,769, r1= 0, r2= 0, r3= 5.3, r4= 5.8,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  21  ASP QB  50  GLY H
 &rst iat= -1,769, r1= 0, r2= 0, r3= 6.72, r4= 7.28,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 300,301,
&end
#
#  21  ASP H  52  LEU H
 &rst iat= 296,800, r1= 0, r2= 0, r3= 5.2, r4= 5.7,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  21  ASP HA  68  LYS QE
 &rst iat= 298, -1, r1= 0, r2= 0, r3= 5.264, r4= 5.824,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1083,1084,
&end
#
#  21  ASP QB  68  LYS QE
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.89568, r4= 6.52288,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 300,301,
igr2= 1083,1084,
&end
#
#  21  ASP QB  116  THR QG2
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 7.2576, r4= 7.9296,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 300,301,
igr2= 1802,1803,1804,
&end
#
#  22  VAL H  22  VAL HB
 &rst iat= 308,312, r1= 0, r2= 0, r3= 4, r4= 4.5,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  22  VAL H  22  VAL QG
 &rst iat= 308, -1, r1= 0, r2= 0, r3= 4.995, r4= 5.67,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 314,315,316,318,319,320,
&end
#
#  22  VAL HA  22  VAL QG
 &rst iat= 310, -1, r1= 0, r2= 0, r3= 4.86, r4= 5.535,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 314,315,316,318,319,320,
&end
#
#  22  VAL H  23  SER H
 &rst iat= 308,324, r1= 0, r2= 0, r3= 5.4, r4= 5.9,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  22  VAL HA  23  SER H
 &rst iat= 310,324, r1= 0, r2= 0, r3= 3.2, r4= 3.7,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  22  VAL HA  23  SER QB
 &rst iat= 310, -1, r1= 0, r2= 0, r3= 6.496, r4= 7.056,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 328,329,
&end
#
#  22  VAL HB  23  SER H
 &rst iat= 312,324, r1= 0, r2= 0, r3= 4.2, r4= 4.7,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  22  VAL QG  23  SER H
 &rst iat= -1,324, r1= 0, r2= 0, r3= 4.995, r4= 5.67,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 314,315,316,318,319,320,
&end
#
#  22  VAL QG  23  SER QB
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 8.0136, r4= 8.7696,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 314,315,316,318,319,320,
igr2= 328,329,
&end
#
#  22  VAL QG  24  VAL H
 &rst iat= -1,335, r1= 0, r2= 0, r3= 8.1, r4= 8.775,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 314,315,316,318,319,320,
&end
#
#  22  VAL QG  24  VAL HA
 &rst iat= -1,337, r1= 0, r2= 0, r3= 6.48, r4= 7.155,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 314,315,316,318,319,320,
&end
#
#  22  VAL QG  24  VAL QG
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 9.65925, r4= 10.5705,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 314,315,316,318,319,320,
igr2= 341,342,343,345,346,347,
&end
#
#  22  VAL H  48  TRP HZ3
 &rst iat= 308,748, r1= 0, r2= 0, r3= 6, r4= 6.5,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  22  VAL HB  48  TRP HZ3
 &rst iat= 312,748, r1= 0, r2= 0, r3= 5.2, r4= 5.7,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  22  VAL QG  48  TRP HE3
 &rst iat= -1,750, r1= 0, r2= 0, r3= 6.21, r4= 6.885,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 314,315,316,318,319,320,
&end
#
#  22  VAL QG  48  TRP HZ3
 &rst iat= -1,748, r1= 0, r2= 0, r3= 5.4, r4= 6.075,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 314,315,316,318,319,320,
&end
#
#  22  VAL QG  48  TRP HH2
 &rst iat= -1,746, r1= 0, r2= 0, r3= 7.02, r4= 7.695,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 314,315,316,318,319,320,
&end
#
#  22  VAL H  49  THR HA
 &rst iat= 308,757, r1= 0, r2= 0, r3= 5.3, r4= 5.8,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  22  VAL H  49  THR HB
 &rst iat= 308,759, r1= 0, r2= 0, r3= 4.8, r4= 5.3,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  22  VAL H  49  THR QG2
 &rst iat= 308, -1, r1= 0, r2= 0, r3= 6, r4= 6.6,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 761,762,763,
&end
#
#  22  VAL QG  49  THR HA
 &rst iat= -1,757, r1= 0, r2= 0, r3= 6.48, r4= 7.155,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 314,315,316,318,319,320,
&end
#
#  22  VAL QG  49  THR HB
 &rst iat= -1,759, r1= 0, r2= 0, r3= 7.695, r4= 8.37,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 314,315,316,318,319,320,
&end
#
#  22  VAL H  50  GLY H
 &rst iat= 308,769, r1= 0, r2= 0, r3= 4, r4= 4.5,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  22  VAL H  50  GLY QA
 &rst iat= 308, -1, r1= 0, r2= 0, r3= 6.72, r4= 7.28,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 771,772,
&end
#
#  22  VAL HA  50  GLY H
 &rst iat= 310,769, r1= 0, r2= 0, r3= 5.2, r4= 5.7,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  22  VAL HB  50  GLY H
 &rst iat= 312,769, r1= 0, r2= 0, r3= 5.8, r4= 6.3,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  22  VAL QG  50  GLY H
 &rst iat= -1,769, r1= 0, r2= 0, r3= 5.67, r4= 6.345,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 314,315,316,318,319,320,
&end
#
#  22  VAL H  51  ARG H
 &rst iat= 308,776, r1= 0, r2= 0, r3= 5, r4= 5.5,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  22  VAL QG  51  ARG H
 &rst iat= -1,776, r1= 0, r2= 0, r3= 6.21, r4= 6.885,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 314,315,316,318,319,320,
&end
#
#  22  VAL QG  51  ARG HA
 &rst iat= -1,778, r1= 0, r2= 0, r3= 6.21, r4= 6.885,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 314,315,316,318,319,320,
&end
#
#  22  VAL QG  51  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= 314,315,316,318,319,320,
igr2= 780,781,
&end
#
#  22  VAL HA  52  LEU QD
 &rst iat= 310, -1, r1= 0, r2= 0, r3= 8.1, r4= 8.775,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 809,810,811,813,814,815,
&end
#
#  22  VAL HB  52  LEU QB
 &rst iat= 312, -1, r1= 0, r2= 0, r3= 5.04, r4= 5.6,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 804,805,
&end
#
#  22  VAL HB  52  LEU QD
 &rst iat= 312, -1, r1= 0, r2= 0, r3= 6.615, r4= 7.29,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 809,810,811,813,814,815,
&end
#
#  22  VAL QG  52  LEU H
 &rst iat= -1,800, r1= 0, r2= 0, r3= 8.1, r4= 8.775,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 314,315,316,318,319,320,
&end
#
#  22  VAL QG  52  LEU HA
 &rst iat= -1,802, r1= 0, r2= 0, r3= 6.075, r4= 6.75,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 314,315,316,318,319,320,
&end
#
#  22  VAL QG  52  LEU QB
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 4.9896, r4= 5.7456,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 314,315,316,318,319,320,
igr2= 804,805,
&end
#
#  22  VAL QG  52  LEU QD
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 7.29, r4= 8.20125,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 314,315,316,318,319,320,
igr2= 809,810,811,813,814,815,
&end
#
#  22  VAL QG  53  ARG H
 &rst iat= -1,819, r1= 0, r2= 0, r3= 6.75, r4= 7.425,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 314,315,316,318,319,320,
&end
#
#  22  VAL H  65  LEU QD
 &rst iat= 308, -1, r1= 0, r2= 0, r3= 8.1, r4= 8.775,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1033,1034,1035,1037,1038,1039,
&end
#
#  22  VAL HA  65  LEU QD
 &rst iat= 310, -1, r1= 0, r2= 0, r3= 7.425, r4= 8.1,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1033,1034,1035,1037,1038,1039,
&end
#
#  22  VAL HB  65  LEU QD
 &rst iat= 312, -1, r1= 0, r2= 0, r3= 6.885, r4= 7.56,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1033,1034,1035,1037,1038,1039,
&end
#
#  22  VAL QG  65  LEU HA
 &rst iat= -1,1026, r1= 0, r2= 0, r3= 7.56, r4= 8.235,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 314,315,316,318,319,320,
&end
#
#  22  VAL QG  65  LEU QB
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 7.4088, r4= 8.1648,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 314,315,316,318,319,320,
igr2= 1028,1029,
&end
#
#  22  VAL QG  65  LEU QD
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.832, r4= 6.74325,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 314,315,316,318,319,320,
igr2= 1033,1034,1035,1037,1038,1039,
&end
#
#  22  VAL QG  66  GLU H
 &rst iat= -1,1043, r1= 0, r2= 0, r3= 8.1, r4= 8.775,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 314,315,316,318,319,320,
&end
#
#  22  VAL H  68  LYS QE
 &rst iat= 308, -1, r1= 0, r2= 0, r3= 6.72, r4= 7.28,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1083,1084,
&end
#
#  22  VAL QG  68  LYS QE
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 8.7696, r4= 9.5256,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 314,315,316,318,319,320,
igr2= 1083,1084,
&end
#
#  22  VAL HA  113  ILE QG2
 &rst iat= 310, -1, r1= 0, r2= 0, r3= 7.2, r4= 7.8,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1756,1757,1758,
&end
#
#  22  VAL QG  113  ILE HA
 &rst iat= -1,1752, r1= 0, r2= 0, r3= 6.345, r4= 7.02,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 314,315,316,318,319,320,
&end
#
#  22  VAL QG  113  ILE HB
 &rst iat= -1,1754, r1= 0, r2= 0, r3= 6.48, r4= 7.155,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 314,315,316,318,319,320,
&end
#
#  22  VAL QG  113  ILE QG2
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 7.128, r4= 7.938,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 314,315,316,318,319,320,
igr2= 1756,1757,1758,
&end
#
#  22  VAL QG  113  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= 314,315,316,318,319,320,
igr2= 1763,1764,1765,
&end
#
#  22  VAL QG  114  GLY H
 &rst iat= -1,1769, r1= 0, r2= 0, r3= 5.535, r4= 6.21,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 314,315,316,318,319,320,
&end
#
#  22  VAL QG  114  GLY QA
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 9.072, r4= 9.828,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 314,315,316,318,319,320,
igr2= 1771,1772,
&end
#
#  22  VAL HA  115  PHE H
 &rst iat= 310,1776, r1= 0, r2= 0, r3= 5.7, r4= 6.2,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  22  VAL HA  115  PHE HA
 &rst iat= 310,1778, r1= 0, r2= 0, r3= 4.4, r4= 4.9,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  22  VAL HA  115  PHE QB
 &rst iat= 310, -1, r1= 0, r2= 0, r3= 5.824, r4= 6.384,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1780,1781,
&end
#
#  22  VAL HA  115  PHE QD
 &rst iat= 310, -1, r1= 0, r2= 0, r3= 4.48, r4= 5.04,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1784,1792,
&end
#
#  22  VAL HB  115  PHE HA
 &rst iat= 312,1778, r1= 0, r2= 0, r3= 5.9, r4= 6.4,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  22  VAL HB  115  PHE QD
 &rst iat= 312, -1, r1= 0, r2= 0, r3= 5.488, r4= 6.048,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1784,1792,
&end
#
#  22  VAL QG  115  PHE H
 &rst iat= -1,1776, r1= 0, r2= 0, r3= 8.1, r4= 8.775,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 314,315,316,318,319,320,
&end
#
#  22  VAL QG  115  PHE HA
 &rst iat= -1,1778, r1= 0, r2= 0, r3= 6.075, r4= 6.75,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 314,315,316,318,319,320,
&end
#
#  22  VAL QG  115  PHE QB
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 8.0136, r4= 8.7696,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 314,315,316,318,319,320,
igr2= 1780,1781,
&end
#
#  22  VAL QG  115  PHE QD
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.5016, r4= 7.2576,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 314,315,316,318,319,320,
igr2= 1784,1792,
&end
#
#  22  VAL QG  115  PHE QE
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.1992, r4= 6.9552,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 314,315,316,318,319,320,
igr2= 1786,1790,
&end
#
#  22  VAL QG  115  PHE HZ
 &rst iat= -1,1788, r1= 0, r2= 0, r3= 6.75, r4= 7.425,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 314,315,316,318,319,320,
&end
#
#  22  VAL HA  116  THR H
 &rst iat= 310,1796, r1= 0, r2= 0, r3= 6, r4= 6.5,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  22  VAL QG  124  PHE QD
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 7.7112, r4= 8.4672,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 314,315,316,318,319,320,
igr2= 1915,1923,
&end
#
#  22  VAL QG  124  PHE QE
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 8.1648, r4= 8.9208,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 314,315,316,318,319,320,
igr2= 1917,1921,
&end
#
#  23  SER H  24  VAL H
 &rst iat= 324,335, r1= 0, r2= 0, r3= 5.5, r4= 6,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  23  SER H  24  VAL QG
 &rst iat= 324, -1, r1= 0, r2= 0, r3= 7.83, r4= 8.505,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 341,342,343,345,346,347,
&end
#
#  23  SER QB  24  VAL H
 &rst iat= -1,335, r1= 0, r2= 0, r3= 4.704, r4= 5.264,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 328,329,
&end
#
#  23  SER HA  46  PRO QB
 &rst iat= 326, -1, r1= 0, r2= 0, r3= 5.376, r4= 5.936,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 712,713,
&end
#
#  23  SER QB  46  PRO HA
 &rst iat= -1,715, r1= 0, r2= 0, r3= 5.6, r4= 6.16,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 328,329,
&end
#
#  23  SER QB  46  PRO QB
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 4.76672, r4= 5.39392,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 328,329,
igr2= 712,713,
&end
#
#  23  SER QB  46  PRO QG
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.02112, r4= 6.64832,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 328,329,
igr2= 709,710,
&end
#
#  23  SER QB  47  ASP H
 &rst iat= -1,719, r1= 0, r2= 0, r3= 6.608, r4= 7.168,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 328,329,
&end
#
#  23  SER HA  48  TRP H
 &rst iat= 326,731, r1= 0, r2= 0, r3= 5.3, r4= 5.8,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  23  SER HA  48  TRP HE3
 &rst iat= 326,750, r1= 0, r2= 0, r3= 4.9, r4= 5.4,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  23  SER QB  48  TRP H
 &rst iat= -1,731, r1= 0, r2= 0, r3= 6.16, r4= 6.72,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 328,329,
&end
#
#  23  SER H  49  THR HA
 &rst iat= 324,757, r1= 0, r2= 0, r3= 5.2, r4= 5.7,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  23  SER H  49  THR QG2
 &rst iat= 324, -1, r1= 0, r2= 0, r3= 7.2, r4= 7.8,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 761,762,763,
&end
#
#  23  SER HA  49  THR H
 &rst iat= 326,755, r1= 0, r2= 0, r3= 5.5, r4= 6,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  23  SER HA  49  THR HA
 &rst iat= 326,757, r1= 0, r2= 0, r3= 3.9, r4= 4.4,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  23  SER HA  49  THR HB
 &rst iat= 326,759, r1= 0, r2= 0, r3= 4.2, r4= 4.7,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  23  SER HA  49  THR QG2
 &rst iat= 326, -1, r1= 0, r2= 0, r3= 4.32, r4= 4.92,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 761,762,763,
&end
#
#  23  SER QB  49  THR HA
 &rst iat= -1,757, r1= 0, r2= 0, r3= 5.376, r4= 5.936,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 328,329,
&end
#
#  23  SER QB  49  THR HB
 &rst iat= -1,759, r1= 0, r2= 0, r3= 4.368, r4= 4.928,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 328,329,
&end
#
#  23  SER QB  49  THR QG2
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.376, r4= 6.048,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 328,329,
igr2= 761,762,763,
&end
#
#  23  SER HA  50  GLY H
 &rst iat= 326,769, r1= 0, r2= 0, r3= 4.3, r4= 4.8,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  23  SER H  113  ILE QG2
 &rst iat= 324, -1, r1= 0, r2= 0, r3= 7.2, r4= 7.8,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1756,1757,1758,
&end
#
#  23  SER H  113  ILE QD1
 &rst iat= 324, -1, r1= 0, r2= 0, r3= 7.2, r4= 7.8,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1763,1764,1765,
&end
#
#  23  SER H  114  GLY H
 &rst iat= 324,1769, r1= 0, r2= 0, r3= 4.3, r4= 4.8,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  23  SER QB  114  GLY H
 &rst iat= -1,1769, r1= 0, r2= 0, r3= 5.712, r4= 6.272,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 328,329,
&end
#
#  23  SER H  115  PHE H
 &rst iat= 324,1776, r1= 0, r2= 0, r3= 6, r4= 6.5,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  23  SER H  115  PHE QD
 &rst iat= 324, -1, r1= 0, r2= 0, r3= 6.72, r4= 7.28,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1784,1792,
&end
#
#  23  SER H  116  THR H
 &rst iat= 324,1796, r1= 0, r2= 0, r3= 4.9, r4= 5.4,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  23  SER H  116  THR HB
 &rst iat= 324,1800, r1= 0, r2= 0, r3= 5.5, r4= 6,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  24  VAL H  24  VAL HB
 &rst iat= 335,339, r1= 0, r2= 0, r3= 4.2, r4= 4.7,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  24  VAL H  24  VAL QG
 &rst iat= 335, -1, r1= 0, r2= 0, r3= 5.535, r4= 6.21,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 341,342,343,345,346,347,
&end
#
#  24  VAL HA  24  VAL QG
 &rst iat= 337, -1, r1= 0, r2= 0, r3= 5.265, r4= 5.94,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 341,342,343,345,346,347,
&end
#
#  24  VAL H  25  TYR H
 &rst iat= 335,351, r1= 0, r2= 0, r3= 5.4, r4= 5.9,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  24  VAL HB  25  TYR H
 &rst iat= 339,351, r1= 0, r2= 0, r3= 6, r4= 6.5,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  24  VAL QG  25  TYR H
 &rst iat= -1,351, r1= 0, r2= 0, r3= 5.4, r4= 6.075,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 341,342,343,345,346,347,
&end
#
#  24  VAL QG  25  TYR HA
 &rst iat= -1,353, r1= 0, r2= 0, r3= 6.885, r4= 7.56,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 341,342,343,345,346,347,
&end
#
#  24  VAL QG  25  TYR QB
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 9.072, r4= 9.828,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 341,342,343,345,346,347,
igr2= 355,356,
&end
#
#  24  VAL QG  25  TYR QE
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 8.316, r4= 9.072,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 341,342,343,345,346,347,
igr2= 361,366,
&end
#
#  24  VAL QG  26  ARG H
 &rst iat= -1,372, r1= 0, r2= 0, r3= 7.29, r4= 7.965,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 341,342,343,345,346,347,
&end
#
#  24  VAL QG  26  ARG HA
 &rst iat= -1,374, r1= 0, r2= 0, r3= 8.1, r4= 8.775,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 341,342,343,345,346,347,
&end
#
#  24  VAL QG  27  ILE H
 &rst iat= -1,396, r1= 0, r2= 0, r3= 8.1, r4= 8.775,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 341,342,343,345,346,347,
&end
#
#  24  VAL H  46  PRO HA
 &rst iat= 335,715, r1= 0, r2= 0, r3= 5.7, r4= 6.2,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  24  VAL H  46  PRO QB
 &rst iat= 335, -1, r1= 0, r2= 0, r3= 5.04, r4= 5.6,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 712,713,
&end
#
#  24  VAL HB  47  ASP QB
 &rst iat= 339, -1, r1= 0, r2= 0, r3= 6.048, r4= 6.608,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 723,724,
&end
#
#  24  VAL QG  47  ASP H
 &rst iat= -1,719, r1= 0, r2= 0, r3= 6.75, r4= 7.425,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 341,342,343,345,346,347,
&end
#
#  24  VAL QG  47  ASP HA
 &rst iat= -1,721, r1= 0, r2= 0, r3= 8.1, r4= 8.775,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 341,342,343,345,346,347,
&end
#
#  24  VAL QG  47  ASP QB
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 7.2576, r4= 8.0136,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 341,342,343,345,346,347,
igr2= 723,724,
&end
#
#  24  VAL H  48  TRP H
 &rst iat= 335,731, r1= 0, r2= 0, r3= 4.3, r4= 4.8,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  24  VAL H  48  TRP HA
 &rst iat= 335,733, r1= 0, r2= 0, r3= 5.3, r4= 5.8,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  24  VAL H  48  TRP QB
 &rst iat= 335, -1, r1= 0, r2= 0, r3= 6.048, r4= 6.608,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 735,736,
&end
#
#  24  VAL H  48  TRP HE3
 &rst iat= 335,750, r1= 0, r2= 0, r3= 4.6, r4= 5.1,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  24  VAL H  48  TRP HZ3
 &rst iat= 335,748, r1= 0, r2= 0, r3= 5.8, r4= 6.3,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  24  VAL HB  48  TRP H
 &rst iat= 339,731, r1= 0, r2= 0, r3= 5.1, r4= 5.6,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  24  VAL HB  48  TRP QB
 &rst iat= 339, -1, r1= 0, r2= 0, r3= 6.272, r4= 6.832,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 735,736,
&end
#
#  24  VAL HB  48  TRP HE3
 &rst iat= 339,750, r1= 0, r2= 0, r3= 5.4, r4= 5.9,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  24  VAL HB  48  TRP HZ3
 &rst iat= 339,748, r1= 0, r2= 0, r3= 6, r4= 6.5,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  24  VAL QG  48  TRP H
 &rst iat= -1,731, r1= 0, r2= 0, r3= 5.94, r4= 6.615,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 341,342,343,345,346,347,
&end
#
#  24  VAL QG  48  TRP HA
 &rst iat= -1,733, r1= 0, r2= 0, r3= 7.155, r4= 7.83,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 341,342,343,345,346,347,
&end
#
#  24  VAL QG  48  TRP QB
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 7.2576, r4= 8.0136,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 341,342,343,345,346,347,
igr2= 735,736,
&end
#
#  24  VAL QG  48  TRP HE3
 &rst iat= -1,750, r1= 0, r2= 0, r3= 4.86, r4= 5.535,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 341,342,343,345,346,347,
&end
#
#  24  VAL QG  48  TRP HZ3
 &rst iat= -1,748, r1= 0, r2= 0, r3= 5.4, r4= 6.075,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 341,342,343,345,346,347,
&end
#
#  24  VAL QG  48  TRP HH2
 &rst iat= -1,746, r1= 0, r2= 0, r3= 6.75, r4= 7.425,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 341,342,343,345,346,347,
&end
#
#  24  VAL H  49  THR HA
 &rst iat= 335,757, r1= 0, r2= 0, r3= 5, r4= 5.5,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  24  VAL H  49  THR HB
 &rst iat= 335,759, r1= 0, r2= 0, r3= 5.4, r4= 5.9,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  24  VAL H  49  THR QG2
 &rst iat= 335, -1, r1= 0, r2= 0, r3= 4.92, r4= 5.52,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 761,762,763,
&end
#
#  24  VAL QG  49  THR HA
 &rst iat= -1,757, r1= 0, r2= 0, r3= 7.425, r4= 8.1,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 341,342,343,345,346,347,
&end
#
#  24  VAL H  50  GLY H
 &rst iat= 335,769, r1= 0, r2= 0, r3= 5.7, r4= 6.2,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  24  VAL HA  65  LEU QD
 &rst iat= 337, -1, r1= 0, r2= 0, r3= 7.29, r4= 7.965,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1033,1034,1035,1037,1038,1039,
&end
#
#  24  VAL HB  65  LEU QD
 &rst iat= 339, -1, r1= 0, r2= 0, r3= 6.75, r4= 7.425,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1033,1034,1035,1037,1038,1039,
&end
#
#  24  VAL QG  65  LEU QB
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 8.0136, r4= 8.7696,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 341,342,343,345,346,347,
igr2= 1028,1029,
&end
#
#  24  VAL QG  65  LEU HG
 &rst iat= -1,1031, r1= 0, r2= 0, r3= 8.1, r4= 8.775,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 341,342,343,345,346,347,
&end
#
#  24  VAL QG  65  LEU QD
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 7.10775, r4= 8.019,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 341,342,343,345,346,347,
igr2= 1033,1034,1035,1037,1038,1039,
&end
#
#  24  VAL HA  74  PHE QE
 &rst iat= 337, -1, r1= 0, r2= 0, r3= 5.712, r4= 6.272,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1170,1174,
&end
#
#  24  VAL HB  74  PHE QE
 &rst iat= 339, -1, r1= 0, r2= 0, r3= 5.6, r4= 6.16,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1170,1174,
&end
#
#  24  VAL QG  74  PHE QD
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 7.56, r4= 8.316,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 341,342,343,345,346,347,
igr2= 1168,1176,
&end
#
#  24  VAL QG  74  PHE QE
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.4432, r4= 6.1992,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 341,342,343,345,346,347,
igr2= 1170,1174,
&end
#
#  24  VAL QG  74  PHE HZ
 &rst iat= -1,1172, r1= 0, r2= 0, r3= 4.725, r4= 5.4,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 341,342,343,345,346,347,
&end
#
#  24  VAL HA  111  ILE QG2
 &rst iat= 337, -1, r1= 0, r2= 0, r3= 6.72, r4= 7.32,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1730,1731,1732,
&end
#
#  24  VAL HA  111  ILE QD1
 &rst iat= 337, -1, r1= 0, r2= 0, r3= 5.76, r4= 6.36,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1737,1738,1739,
&end
#
#  24  VAL HB  111  ILE QD1
 &rst iat= 339, -1, r1= 0, r2= 0, r3= 6.72, r4= 7.32,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1737,1738,1739,
&end
#
#  24  VAL QG  111  ILE HB
 &rst iat= -1,1728, r1= 0, r2= 0, r3= 5.67, r4= 6.345,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 341,342,343,345,346,347,
&end
#
#  24  VAL QG  111  ILE QG1
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 9.072, r4= 9.828,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 341,342,343,345,346,347,
igr2= 1734,1735,
&end
#
#  24  VAL QG  111  ILE QG2
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.156, r4= 6.966,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 341,342,343,345,346,347,
igr2= 1730,1731,1732,
&end
#
#  24  VAL QG  111  ILE QD1
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.832, r4= 6.642,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 341,342,343,345,346,347,
igr2= 1737,1738,1739,
&end
#
#  24  VAL QG  112  GLY H
 &rst iat= -1,1743, r1= 0, r2= 0, r3= 7.425, r4= 8.1,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 341,342,343,345,346,347,
&end
#
#  24  VAL H  113  ILE QG2
 &rst iat= 335, -1, r1= 0, r2= 0, r3= 6.84, r4= 7.44,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1756,1757,1758,
&end
#
#  24  VAL HA  113  ILE HA
 &rst iat= 337,1752, r1= 0, r2= 0, r3= 4.2, r4= 4.7,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  24  VAL HA  113  ILE HB
 &rst iat= 337,1754, r1= 0, r2= 0, r3= 5.9, r4= 6.4,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  24  VAL HA  113  ILE QG1
 &rst iat= 337, -1, r1= 0, r2= 0, r3= 6.272, r4= 6.832,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1760,1761,
&end
#
#  24  VAL HA  113  ILE QG2
 &rst iat= 337, -1, r1= 0, r2= 0, r3= 5.04, r4= 5.64,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1756,1757,1758,
&end
#
#  24  VAL HB  113  ILE QG2
 &rst iat= 339, -1, r1= 0, r2= 0, r3= 6.72, r4= 7.32,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1756,1757,1758,
&end
#
#  24  VAL HB  113  ILE QD1
 &rst iat= 339, -1, r1= 0, r2= 0, r3= 6.84, r4= 7.44,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1763,1764,1765,
&end
#
#  24  VAL QG  113  ILE HA
 &rst iat= -1,1752, r1= 0, r2= 0, r3= 6.615, r4= 7.29,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 341,342,343,345,346,347,
&end
#
#  24  VAL QG  113  ILE QG1
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.5016, r4= 7.2576,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 341,342,343,345,346,347,
igr2= 1760,1761,
&end
#
#  24  VAL QG  113  ILE QG2
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.994, r4= 6.804,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 341,342,343,345,346,347,
igr2= 1756,1757,1758,
&end
#
#  24  VAL QG  113  ILE QD1
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 7.29, r4= 8.1,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 341,342,343,345,346,347,
igr2= 1763,1764,1765,
&end
#
#  24  VAL H  114  GLY H
 &rst iat= 335,1769, r1= 0, r2= 0, r3= 6, r4= 6.5,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  24  VAL QG  114  GLY H
 &rst iat= -1,1769, r1= 0, r2= 0, r3= 7.02, r4= 7.695,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 341,342,343,345,346,347,
&end
#
#  25  TYR HA  25  TYR QD
 &rst iat= 353, -1, r1= 0, r2= 0, r3= 5.04, r4= 5.6,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 359,368,
&end
#
#  25  TYR H  26  ARG H
 &rst iat= 351,372, r1= 0, r2= 0, r3= 5, r4= 5.5,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  25  TYR HA  26  ARG H
 &rst iat= 353,372, r1= 0, r2= 0, r3= 3.2, r4= 3.7,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  25  TYR HA  26  ARG HA
 &rst iat= 353,374, r1= 0, r2= 0, r3= 5.3, r4= 5.8,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  25  TYR HA  26  ARG QB
 &rst iat= 353, -1, r1= 0, r2= 0, r3= 5.488, r4= 6.048,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 376,377,
&end
#
#  25  TYR HA  26  ARG QG
 &rst iat= 353, -1, r1= 0, r2= 0, r3= 5.824, r4= 6.384,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 379,380,
&end
#
#  25  TYR QB  26  ARG H
 &rst iat= -1,372, r1= 0, r2= 0, r3= 4.928, r4= 5.488,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 355,356,
&end
#
#  25  TYR H  27  ILE QG2
 &rst iat= 351, -1, r1= 0, r2= 0, r3= 6.48, r4= 7.08,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 402,403,404,
&end
#
#  25  TYR HA  27  ILE QG2
 &rst iat= 353, -1, r1= 0, r2= 0, r3= 6.84, r4= 7.44,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 402,403,404,
&end
#
#  25  TYR QB  27  ILE QG2
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.048, r4= 6.72,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 355,356,
igr2= 402,403,404,
&end
#
#  25  TYR QD  27  ILE QG2
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 7.2576, r4= 7.9296,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 359,368,
igr2= 402,403,404,
&end
#
#  25  TYR HA  42  LYS QB
 &rst iat= 353, -1, r1= 0, r2= 0, r3= 6.72, r4= 7.28,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 639,640,
&end
#
#  25  TYR QB  42  LYS QB
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.39744, r4= 7.02464,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 355,356,
igr2= 639,640,
&end
#
#  25  TYR QD  42  LYS QD
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.272, r4= 6.8992,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 359,368,
igr2= 645,646,
&end
#
#  25  TYR QE  44  ASP H
 &rst iat= -1,676, r1= 0, r2= 0, r3= 6.72, r4= 7.28,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 361,366,
&end
#
#  25  TYR QE  44  ASP HA
 &rst iat= -1,678, r1= 0, r2= 0, r3= 5.936, r4= 6.496,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 361,366,
&end
#
#  25  TYR QD  45  GLN H
 &rst iat= -1,688, r1= 0, r2= 0, r3= 5.936, r4= 6.496,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 359,368,
&end
#
#  25  TYR QE  45  GLN H
 &rst iat= -1,688, r1= 0, r2= 0, r3= 5.712, r4= 6.272,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 361,366,
&end
#
#  25  TYR QE  45  GLN QB
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 7.5264, r4= 8.1536,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 361,366,
igr2= 692,693,
&end
#
#  25  TYR HA  46  PRO HA
 &rst iat= 353,715, r1= 0, r2= 0, r3= 3.4, r4= 3.9,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  25  TYR HA  46  PRO QB
 &rst iat= 353, -1, r1= 0, r2= 0, r3= 6.72, r4= 7.28,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 712,713,
&end
#
#  25  TYR QB  46  PRO HA
 &rst iat= -1,715, r1= 0, r2= 0, r3= 6.608, r4= 7.168,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 355,356,
&end
#
#  25  TYR QD  46  PRO HA
 &rst iat= -1,715, r1= 0, r2= 0, r3= 5.712, r4= 6.272,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 359,368,
&end
#
#  25  TYR QD  46  PRO QD
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.77376, r4= 7.40096,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 359,368,
igr2= 706,707,
&end
#
#  25  TYR QE  46  PRO HA
 &rst iat= -1,715, r1= 0, r2= 0, r3= 5.712, r4= 6.272,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 361,366,
&end
#
#  25  TYR QE  46  PRO QG
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 7.5264, r4= 8.1536,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 361,366,
igr2= 709,710,
&end
#
#  25  TYR HA  47  ASP H
 &rst iat= 353,719, r1= 0, r2= 0, r3= 4.6, r4= 5.1,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  25  TYR HA  47  ASP QB
 &rst iat= 353, -1, r1= 0, r2= 0, r3= 5.6, r4= 6.16,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 723,724,
&end
#
#  25  TYR QB  47  ASP H
 &rst iat= -1,719, r1= 0, r2= 0, r3= 6.384, r4= 6.944,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 355,356,
&end
#
#  25  TYR QE  47  ASP H
 &rst iat= -1,719, r1= 0, r2= 0, r3= 6.72, r4= 7.28,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 361,366,
&end
#
#  25  TYR H  111  ILE QG2
 &rst iat= 351, -1, r1= 0, r2= 0, r3= 6.12, r4= 6.72,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1730,1731,1732,
&end
#
#  25  TYR H  111  ILE QD1
 &rst iat= 351, -1, r1= 0, r2= 0, r3= 6.48, r4= 7.08,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1737,1738,1739,
&end
#
#  25  TYR H  112  GLY H
 &rst iat= 351,1743, r1= 0, r2= 0, r3= 4.9, r4= 5.4,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  25  TYR H  112  GLY QA
 &rst iat= 351, -1, r1= 0, r2= 0, r3= 5.6, r4= 6.16,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1745,1746,
&end
#
#  25  TYR H  113  ILE H
 &rst iat= 351,1750, r1= 0, r2= 0, r3= 6, r4= 6.5,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  25  TYR H  113  ILE HA
 &rst iat= 351,1752, r1= 0, r2= 0, r3= 4.4, r4= 4.9,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  25  TYR H  113  ILE HB
 &rst iat= 351,1754, r1= 0, r2= 0, r3= 6, r4= 6.5,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  25  TYR H  113  ILE QG1
 &rst iat= 351, -1, r1= 0, r2= 0, r3= 6.72, r4= 7.28,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1760,1761,
&end
#
#  25  TYR H  113  ILE QG2
 &rst iat= 351, -1, r1= 0, r2= 0, r3= 5.64, r4= 6.24,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1756,1757,1758,
&end
#
#  25  TYR QE  113  ILE QG2
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.5856, r4= 7.2576,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 361,366,
igr2= 1756,1757,1758,
&end
#
#  25  TYR H  114  GLY H
 &rst iat= 351,1769, r1= 0, r2= 0, r3= 4.7, r4= 5.2,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  25  TYR QD  114  GLY QA
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.77024, r4= 6.39744,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 359,368,
igr2= 1771,1772,
&end
#
#  26  ARG H  26  ARG QB
 &rst iat= 372, -1, r1= 0, r2= 0, r3= 4.256, r4= 4.816,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 376,377,
&end
#
#  26  ARG H  26  ARG QG
 &rst iat= 372, -1, r1= 0, r2= 0, r3= 4.368, r4= 4.928,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 379,380,
&end
#
#  26  ARG HA  26  ARG QG
 &rst iat= 374, -1, r1= 0, r2= 0, r3= 4.48, r4= 5.04,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 379,380,
&end
#
#  26  ARG H  27  ILE H
 &rst iat= 372,396, r1= 0, r2= 0, r3= 4.9, r4= 5.4,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  26  ARG H  27  ILE QG2
 &rst iat= 372, -1, r1= 0, r2= 0, r3= 6.96, r4= 7.56,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 402,403,404,
&end
#
#  26  ARG HA  27  ILE H
 &rst iat= 374,396, r1= 0, r2= 0, r3= 3.1, r4= 3.6,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  26  ARG HA  27  ILE QG1
 &rst iat= 374, -1, r1= 0, r2= 0, r3= 5.488, r4= 6.048,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 406,407,
&end
#
#  26  ARG HA  27  ILE QG2
 &rst iat= 374, -1, r1= 0, r2= 0, r3= 5.76, r4= 6.36,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 402,403,404,
&end
#
#  26  ARG HA  27  ILE QD1
 &rst iat= 374, -1, r1= 0, r2= 0, r3= 6, r4= 6.6,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 409,410,411,
&end
#
#  26  ARG QB  27  ILE H
 &rst iat= -1,396, r1= 0, r2= 0, r3= 5.152, r4= 5.712,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 376,377,
&end
#
#  26  ARG QG  27  ILE H
 &rst iat= -1,396, r1= 0, r2= 0, r3= 5.04, r4= 5.6,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 379,380,
&end
#
#  26  ARG QG  27  ILE QG2
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 7.7952, r4= 8.4672,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 379,380,
igr2= 402,403,404,
&end
#
#  26  ARG H  42  LYS QB
 &rst iat= 372, -1, r1= 0, r2= 0, r3= 6.384, r4= 6.944,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 639,640,
&end
#
#  26  ARG H  46  PRO HA
 &rst iat= 372,715, r1= 0, r2= 0, r3= 6, r4= 6.5,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  26  ARG H  47  ASP H
 &rst iat= 372,719, r1= 0, r2= 0, r3= 4.8, r4= 5.3,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  26  ARG H  47  ASP QB
 &rst iat= 372, -1, r1= 0, r2= 0, r3= 4.928, r4= 5.488,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 723,724,
&end
#
#  26  ARG QG  47  ASP QB
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.272, r4= 6.8992,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 379,380,
igr2= 723,724,
&end
#
#  26  ARG H  48  TRP H
 &rst iat= 372,731, r1= 0, r2= 0, r3= 5.7, r4= 6.2,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  26  ARG H  111  ILE HA
 &rst iat= 372,1726, r1= 0, r2= 0, r3= 5.8, r4= 6.3,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  26  ARG H  111  ILE HB
 &rst iat= 372,1728, r1= 0, r2= 0, r3= 4, r4= 4.5,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  26  ARG H  111  ILE QG2
 &rst iat= 372, -1, r1= 0, r2= 0, r3= 6.72, r4= 7.32,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1730,1731,1732,
&end
#
#  26  ARG H  111  ILE QD1
 &rst iat= 372, -1, r1= 0, r2= 0, r3= 7.2, r4= 7.8,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1737,1738,1739,
&end
#
#  26  ARG HA  111  ILE H
 &rst iat= 374,1724, r1= 0, r2= 0, r3= 6, r4= 6.5,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  26  ARG HA  111  ILE HA
 &rst iat= 374,1726, r1= 0, r2= 0, r3= 4.8, r4= 5.3,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  26  ARG HA  111  ILE HB
 &rst iat= 374,1728, r1= 0, r2= 0, r3= 4.8, r4= 5.3,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  26  ARG HA  111  ILE QG1
 &rst iat= 374, -1, r1= 0, r2= 0, r3= 6.384, r4= 6.944,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1734,1735,
&end
#
#  26  ARG HA  111  ILE QG2
 &rst iat= 374, -1, r1= 0, r2= 0, r3= 5.04, r4= 5.64,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1730,1731,1732,
&end
#
#  26  ARG HA  111  ILE QD1
 &rst iat= 374, -1, r1= 0, r2= 0, r3= 6.24, r4= 6.84,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1737,1738,1739,
&end
#
#  26  ARG QG  111  ILE HA
 &rst iat= -1,1726, r1= 0, r2= 0, r3= 6.72, r4= 7.28,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 379,380,
&end
#
#  26  ARG QG  111  ILE QG2
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 7.1232, r4= 7.7952,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 379,380,
igr2= 1730,1731,1732,
&end
#
#  26  ARG QG  111  ILE QD1
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 8.064, r4= 8.736,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 379,380,
igr2= 1737,1738,1739,
&end
#
#  26  ARG HA  112  GLY H
 &rst iat= 374,1743, r1= 0, r2= 0, r3= 5.8, r4= 6.3,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  26  ARG QG  112  GLY H
 &rst iat= -1,1743, r1= 0, r2= 0, r3= 6.72, r4= 7.28,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 379,380,
&end
#
#  27  ILE H  27  ILE HB
 &rst iat= 396,400, r1= 0, r2= 0, r3= 4.1, r4= 4.6,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  27  ILE H  27  ILE QG1
 &rst iat= 396, -1, r1= 0, r2= 0, r3= 4.144, r4= 4.704,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 406,407,
&end
#
#  27  ILE H  27  ILE QG2
 &rst iat= 396, -1, r1= 0, r2= 0, r3= 4.68, r4= 5.28,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 402,403,404,
&end
#
#  27  ILE H  27  ILE QD1
 &rst iat= 396, -1, r1= 0, r2= 0, r3= 4.8, r4= 5.4,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 409,410,411,
&end
#
#  27  ILE HA  27  ILE QD1
 &rst iat= 398, -1, r1= 0, r2= 0, r3= 6.6, r4= 7.2,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 409,410,411,
&end
#
#  27  ILE HB  27  ILE QD1
 &rst iat= 400, -1, r1= 0, r2= 0, r3= 4.44, r4= 5.04,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 409,410,411,
&end
#
#  27  ILE QG2  27  ILE QG1
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.376, r4= 6.048,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 402,403,404,
igr2= 406,407,
&end
#
#  27  ILE QG2  27  ILE QD1
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.04, r4= 5.76,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 402,403,404,
igr2= 409,410,411,
&end
#
#  27  ILE H  28  PRO QD
 &rst iat= 396, -1, r1= 0, r2= 0, r3= 6.384, r4= 6.944,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 416,417,
&end
#
#  27  ILE HA  28  PRO QG
 &rst iat= 398, -1, r1= 0, r2= 0, r3= 5.376, r4= 5.936,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 419,420,
&end
#
#  27  ILE HA  28  PRO QD
 &rst iat= 398, -1, r1= 0, r2= 0, r3= 4.032, r4= 4.592,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 416,417,
&end
#
#  27  ILE HB  28  PRO QG
 &rst iat= 400, -1, r1= 0, r2= 0, r3= 5.376, r4= 5.936,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 419,420,
&end
#
#  27  ILE HB  28  PRO QD
 &rst iat= 400, -1, r1= 0, r2= 0, r3= 4.368, r4= 4.928,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 416,417,
&end
#
#  27  ILE QG2  28  PRO QG
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 7.2576, r4= 7.9296,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 402,403,404,
igr2= 419,420,
&end
#
#  27  ILE QG1  28  PRO QD
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.64832, r4= 7.27552,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 406,407,
igr2= 416,417,
&end
#
#  27  ILE QG2  28  PRO QD
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.7792, r4= 6.4512,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 402,403,404,
igr2= 416,417,
&end
#
#  27  ILE QD1  28  PRO QD
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.72, r4= 7.392,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 409,410,411,
igr2= 416,417,
&end
#
#  27  ILE H  29  PRO QD
 &rst iat= 396, -1, r1= 0, r2= 0, r3= 6.72, r4= 7.28,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 430,431,
&end
#
#  27  ILE HA  29  PRO QG
 &rst iat= 398, -1, r1= 0, r2= 0, r3= 5.936, r4= 6.496,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 433,434,
&end
#
#  27  ILE HA  29  PRO QD
 &rst iat= 398, -1, r1= 0, r2= 0, r3= 5.264, r4= 5.824,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 430,431,
&end
#
#  27  ILE HB  29  PRO QD
 &rst iat= 400, -1, r1= 0, r2= 0, r3= 5.936, r4= 6.496,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 430,431,
&end
#
#  27  ILE QG1  29  PRO QD
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 7.5264, r4= 8.1536,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 406,407,
igr2= 430,431,
&end
#
#  27  ILE QG2  29  PRO QD
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 7.5264, r4= 8.1984,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 402,403,404,
igr2= 430,431,
&end
#
#  27  ILE QD1  29  PRO QD
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 7.6608, r4= 8.3328,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 409,410,411,
igr2= 430,431,
&end
#
#  27  ILE QD1  30  ARG H
 &rst iat= -1,443, r1= 0, r2= 0, r3= 7.2, r4= 7.8,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 409,410,411,
&end
#
#  27  ILE HB  36  TYR QD
 &rst iat= 400, -1, r1= 0, r2= 0, r3= 5.04, r4= 5.6,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 541,550,
&end
#
#  27  ILE QG2  36  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= 402,403,404,
igr2= 541,550,
&end
#
#  27  ILE QG2  36  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= 402,403,404,
igr2= 543,548,
&end
#
#  27  ILE QD1  36  TYR HA
 &rst iat= -1,535, r1= 0, r2= 0, r3= 7.2, r4= 7.8,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 409,410,411,
&end
#
#  27  ILE QD1  36  TYR QB
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 8.064, r4= 8.736,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 409,410,411,
igr2= 537,538,
&end
#
#  27  ILE QD1  36  TYR QD
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.376, r4= 6.048,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 409,410,411,
igr2= 541,550,
&end
#
#  27  ILE QD1  36  TYR QE
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 4.8384, r4= 5.5104,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 409,410,411,
igr2= 543,548,
&end
#
#  27  ILE QG2  40  ASP QB
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 7.6608, r4= 8.3328,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 402,403,404,
igr2= 603,604,
&end
#
#  27  ILE HB  41  TRP QB
 &rst iat= 400, -1, r1= 0, r2= 0, r3= 5.488, r4= 6.048,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 615,616,
&end
#
#  27  ILE HB  41  TRP HD1
 &rst iat= 400,619, r1= 0, r2= 0, r3= 4.2, r4= 4.7,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  27  ILE HB  41  TRP HE1
 &rst iat= 400,621, r1= 0, r2= 0, r3= 5.2, r4= 5.7,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  27  ILE QG2  41  TRP H
 &rst iat= -1,611, r1= 0, r2= 0, r3= 7.2, r4= 7.8,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 402,403,404,
&end
#
#  27  ILE QG2  41  TRP HA
 &rst iat= -1,613, r1= 0, r2= 0, r3= 6.24, r4= 6.84,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 402,403,404,
&end
#
#  27  ILE QG2  41  TRP QB
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.7792, r4= 6.4512,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 402,403,404,
igr2= 615,616,
&end
#
#  27  ILE QG1  41  TRP HD1
 &rst iat= -1,619, r1= 0, r2= 0, r3= 5.936, r4= 6.496,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 406,407,
&end
#
#  27  ILE QG2  41  TRP HD1
 &rst iat= -1,619, r1= 0, r2= 0, r3= 5.04, r4= 5.64,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 402,403,404,
&end
#
#  27  ILE QG1  41  TRP HE1
 &rst iat= -1,621, r1= 0, r2= 0, r3= 5.936, r4= 6.496,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 406,407,
&end
#
#  27  ILE QG2  41  TRP HE1
 &rst iat= -1,621, r1= 0, r2= 0, r3= 5.04, r4= 5.64,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 402,403,404,
&end
#
#  27  ILE QG2  41  TRP HZ2
 &rst iat= -1,624, r1= 0, r2= 0, r3= 5.16, r4= 5.76,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 402,403,404,
&end
#
#  27  ILE QG2  41  TRP HZ3
 &rst iat= -1,628, r1= 0, r2= 0, r3= 6.96, r4= 7.56,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 402,403,404,
&end
#
#  27  ILE QG2  41  TRP HH2
 &rst iat= -1,626, r1= 0, r2= 0, r3= 6.24, r4= 6.84,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 402,403,404,
&end
#
#  27  ILE QD1  41  TRP HD1
 &rst iat= -1,619, r1= 0, r2= 0, r3= 5.52, r4= 6.12,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 409,410,411,
&end
#
#  27  ILE QD1  41  TRP HE1
 &rst iat= -1,621, r1= 0, r2= 0, r3= 5.28, r4= 5.88,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 409,410,411,
&end
#
#  27  ILE QD1  41  TRP HE3
 &rst iat= -1,630, r1= 0, r2= 0, r3= 6.48, r4= 7.08,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 409,410,411,
&end
#
#  27  ILE QD1  41  TRP HZ2
 &rst iat= -1,624, r1= 0, r2= 0, r3= 4.8, r4= 5.4,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 409,410,411,
&end
#
#  27  ILE QD1  41  TRP HZ3
 &rst iat= -1,628, r1= 0, r2= 0, r3= 6.24, r4= 6.84,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 409,410,411,
&end
#
#  27  ILE QD1  41  TRP HH2
 &rst iat= -1,626, r1= 0, r2= 0, r3= 6.24, r4= 6.84,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 409,410,411,
&end
#
#  27  ILE QG2  42  LYS H
 &rst iat= -1,635, r1= 0, r2= 0, r3= 7.2, r4= 7.8,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 402,403,404,
&end
#
#  27  ILE QG1  98  VAL QG
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.5016, r4= 7.2576,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 406,407,
igr2= 1530,1531,1532,1534,1535,1536,
&end
#
#  27  ILE QG2  98  VAL QG
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 7.776, r4= 8.586,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 402,403,404,
igr2= 1530,1531,1532,1534,1535,1536,
&end
#
#  27  ILE QD1  98  VAL HA
 &rst iat= -1,1526, r1= 0, r2= 0, r3= 5.88, r4= 6.48,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 409,410,411,
&end
#
#  27  ILE QD1  98  VAL HB
 &rst iat= -1,1528, r1= 0, r2= 0, r3= 6.48, r4= 7.08,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 409,410,411,
&end
#
#  27  ILE QD1  98  VAL QG
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.832, r4= 6.642,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 409,410,411,
igr2= 1530,1531,1532,1534,1535,1536,
&end
#
#  27  ILE QD1  99  ILE H
 &rst iat= -1,1540, r1= 0, r2= 0, r3= 6.24, r4= 6.84,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 409,410,411,
&end
#
#  27  ILE QG1  110  PHE QB
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.14656, r4= 6.77376,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 406,407,
igr2= 1708,1709,
&end
#
#  27  ILE QG2  110  PHE QB
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 8.064, r4= 8.736,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 402,403,404,
igr2= 1708,1709,
&end
#
#  27  ILE QD1  110  PHE H
 &rst iat= -1,1704, r1= 0, r2= 0, r3= 6.6, r4= 7.2,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 409,410,411,
&end
#
#  27  ILE QD1  110  PHE HA
 &rst iat= -1,1706, r1= 0, r2= 0, r3= 6.24, r4= 6.84,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 409,410,411,
&end
#
#  27  ILE QD1  110  PHE QB
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.6448, r4= 6.3168,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 409,410,411,
igr2= 1708,1709,
&end
#
#  27  ILE QD1  110  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= 409,410,411,
igr2= 1712,1720,
&end
#
#  27  ILE H  111  ILE HA
 &rst iat= 396,1726, r1= 0, r2= 0, r3= 4.3, r4= 4.8,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  27  ILE H  111  ILE HB
 &rst iat= 396,1728, r1= 0, r2= 0, r3= 4.6, r4= 5.1,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  27  ILE H  111  ILE QG1
 &rst iat= 396, -1, r1= 0, r2= 0, r3= 6.72, r4= 7.28,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1734,1735,
&end
#
#  27  ILE H  111  ILE QG2
 &rst iat= 396, -1, r1= 0, r2= 0, r3= 5.64, r4= 6.24,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1730,1731,1732,
&end
#
#  27  ILE QG1  111  ILE HA
 &rst iat= -1,1726, r1= 0, r2= 0, r3= 4.592, r4= 5.152,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 406,407,
&end
#
#  27  ILE QG2  111  ILE HA
 &rst iat= -1,1726, r1= 0, r2= 0, r3= 5.4, r4= 6,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 402,403,404,
&end
#
#  27  ILE QG2  111  ILE HB
 &rst iat= -1,1728, r1= 0, r2= 0, r3= 6.48, r4= 7.08,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 402,403,404,
&end
#
#  27  ILE QG2  111  ILE QG2
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 7.632, r4= 8.352,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 402,403,404,
igr2= 1730,1731,1732,
&end
#
#  27  ILE QG2  111  ILE QD1
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 8.64, r4= 9.36,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 402,403,404,
igr2= 1737,1738,1739,
&end
#
#  27  ILE QD1  111  ILE H
 &rst iat= -1,1724, r1= 0, r2= 0, r3= 5.76, r4= 6.36,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 409,410,411,
&end
#
#  27  ILE QD1  111  ILE HA
 &rst iat= -1,1726, r1= 0, r2= 0, r3= 5.04, r4= 5.64,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 409,410,411,
&end
#
#  27  ILE QD1  111  ILE HB
 &rst iat= -1,1728, r1= 0, r2= 0, r3= 6.12, r4= 6.72,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 409,410,411,
&end
#
#  27  ILE QD1  111  ILE QG1
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 7.1232, r4= 7.7952,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 409,410,411,
igr2= 1734,1735,
&end
#
#  27  ILE QD1  111  ILE QG2
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 7.488, r4= 8.208,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 409,410,411,
igr2= 1730,1731,1732,
&end
#
#  27  ILE H  112  GLY H
 &rst iat= 396,1743, r1= 0, r2= 0, r3= 5.3, r4= 5.8,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  27  ILE HB  112  GLY H
 &rst iat= 400,1743, r1= 0, r2= 0, r3= 5.1, r4= 5.6,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  27  ILE QG1  112  GLY H
 &rst iat= -1,1743, r1= 0, r2= 0, r3= 5.152, r4= 5.712,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 406,407,
&end
#
#  27  ILE QG2  112  GLY H
 &rst iat= -1,1743, r1= 0, r2= 0, r3= 4.92, r4= 5.52,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 402,403,404,
&end
#
#  27  ILE QG2  112  GLY QA
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.048, r4= 6.72,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 402,403,404,
igr2= 1745,1746,
&end
#
#  27  ILE QD1  112  GLY H
 &rst iat= -1,1743, r1= 0, r2= 0, r3= 5.28, r4= 5.88,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 409,410,411,
&end
#
#  27  ILE QD1  112  GLY QA
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.4512, r4= 7.1232,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 409,410,411,
igr2= 1745,1746,
&end
#
#  27  ILE QG2  113  ILE H
 &rst iat= -1,1750, r1= 0, r2= 0, r3= 6.96, r4= 7.56,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 402,403,404,
&end
#
#  28  PRO HA  29  PRO QG
 &rst iat= 425, -1, r1= 0, r2= 0, r3= 6.048, r4= 6.608,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 433,434,
&end
#
#  28  PRO HA  29  PRO QD
 &rst iat= 425, -1, r1= 0, r2= 0, r3= 4.032, r4= 4.592,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 430,431,
&end
#
#  28  PRO QB  29  PRO QD
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 4.64128, r4= 5.26848,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 422,423,
igr2= 430,431,
&end
#
#  28  PRO QG  29  PRO HA
 &rst iat= -1,439, r1= 0, r2= 0, r3= 5.936, r4= 6.496,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 419,420,
&end
#
#  28  PRO QG  29  PRO QB
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.89568, r4= 6.52288,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 419,420,
igr2= 436,437,
&end
#
#  28  PRO QG  29  PRO QD
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 4.76672, r4= 5.39392,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 419,420,
igr2= 430,431,
&end
#
#  28  PRO QD  29  PRO QB
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.39744, r4= 7.02464,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 416,417,
igr2= 436,437,
&end
#
#  28  PRO QD  29  PRO QG
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.39744, r4= 7.02464,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 416,417,
igr2= 433,434,
&end
#
#  28  PRO QD  29  PRO QD
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 4.26496, r4= 4.89216,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 416,417,
igr2= 430,431,
&end
#
#  28  PRO QD  41  TRP HA
 &rst iat= -1,613, r1= 0, r2= 0, r3= 5.712, r4= 6.272,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 416,417,
&end
#
#  28  PRO QD  41  TRP HD1
 &rst iat= -1,619, r1= 0, r2= 0, r3= 5.152, r4= 5.712,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 416,417,
&end
#
#  29  PRO HA  30  ARG H
 &rst iat= 439,443, r1= 0, r2= 0, r3= 2.9, r4= 3.4,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  29  PRO HA  30  ARG HA
 &rst iat= 439,445, r1= 0, r2= 0, r3= 4.7, r4= 5.2,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  29  PRO HA  30  ARG QB
 &rst iat= 439, -1, r1= 0, r2= 0, r3= 5.376, r4= 5.936,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 447,448,
&end
#
#  29  PRO QB  30  ARG H
 &rst iat= -1,443, r1= 0, r2= 0, r3= 4.256, r4= 4.816,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 436,437,
&end
#
#  29  PRO QG  30  ARG H
 &rst iat= -1,443, r1= 0, r2= 0, r3= 5.152, r4= 5.712,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 433,434,
&end
#
#  29  PRO QD  30  ARG H
 &rst iat= -1,443, r1= 0, r2= 0, r3= 6.16, r4= 6.72,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 430,431,
&end
#
#  29  PRO QG  31  ALA H
 &rst iat= -1,467, r1= 0, r2= 0, r3= 6.72, r4= 7.28,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 433,434,
&end
#
#  29  PRO QG  41  TRP HA
 &rst iat= -1,613, r1= 0, r2= 0, r3= 6.72, r4= 7.28,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 433,434,
&end
#
#  29  PRO QG  41  TRP HD1
 &rst iat= -1,619, r1= 0, r2= 0, r3= 5.376, r4= 5.936,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 433,434,
&end
#
#  29  PRO QD  41  TRP HA
 &rst iat= -1,613, r1= 0, r2= 0, r3= 6.72, r4= 7.28,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 430,431,
&end
#
#  29  PRO QD  41  TRP HD1
 &rst iat= -1,619, r1= 0, r2= 0, r3= 5.376, r4= 5.936,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 430,431,
&end
#
#  30  ARG H  30  ARG QB
 &rst iat= 443, -1, r1= 0, r2= 0, r3= 3.808, r4= 4.368,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 447,448,
&end
#
#  30  ARG H  30  ARG QG
 &rst iat= 443, -1, r1= 0, r2= 0, r3= 4.704, r4= 5.264,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 450,451,
&end
#
#  30  ARG H  30  ARG QD
 &rst iat= 443, -1, r1= 0, r2= 0, r3= 5.376, r4= 5.936,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 453,454,
&end
#
#  30  ARG HA  30  ARG QG
 &rst iat= 445, -1, r1= 0, r2= 0, r3= 4.144, r4= 4.704,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 450,451,
&end
#
#  30  ARG HA  30  ARG QD
 &rst iat= 445, -1, r1= 0, r2= 0, r3= 5.04, r4= 5.6,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 453,454,
&end
#
#  30  ARG QB  30  ARG QD
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 4.51584, r4= 5.14304,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 447,448,
igr2= 453,454,
&end
#
#  30  ARG H  31  ALA H
 &rst iat= 443,467, r1= 0, r2= 0, r3= 4.7, r4= 5.2,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  30  ARG H  31  ALA QB
 &rst iat= 443, -1, r1= 0, r2= 0, r3= 5.16, r4= 5.76,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 471,472,473,
&end
#
#  30  ARG HA  31  ALA HA
 &rst iat= 445,469, r1= 0, r2= 0, r3= 4.7, r4= 5.2,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  30  ARG HA  31  ALA QB
 &rst iat= 445, -1, r1= 0, r2= 0, r3= 5.04, r4= 5.64,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 471,472,473,
&end
#
#  30  ARG QB  31  ALA H
 &rst iat= -1,467, r1= 0, r2= 0, r3= 4.592, r4= 5.152,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 447,448,
&end
#
#  30  ARG QB  31  ALA HA
 &rst iat= -1,469, r1= 0, r2= 0, r3= 5.712, r4= 6.272,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 447,448,
&end
#
#  30  ARG QB  31  ALA QB
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 4.9728, r4= 5.6448,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 447,448,
igr2= 471,472,473,
&end
#
#  30  ARG QG  31  ALA H
 &rst iat= -1,467, r1= 0, r2= 0, r3= 5.712, r4= 6.272,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 450,451,
&end
#
#  30  ARG QG  31  ALA QB
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 4.5696, r4= 5.2416,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 450,451,
igr2= 471,472,473,
&end
#
#  30  ARG QD  31  ALA QB
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.1072, r4= 5.7792,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 453,454,
igr2= 471,472,473,
&end
#
#  30  ARG H  32  SER QB
 &rst iat= 443, -1, r1= 0, r2= 0, r3= 6.72, r4= 7.28,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 481,482,
&end
#
#  30  ARG HA  32  SER H
 &rst iat= 445,477, r1= 0, r2= 0, r3= 5.8, r4= 6.3,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  30  ARG QG  32  SER H
 &rst iat= -1,477, r1= 0, r2= 0, r3= 6.272, r4= 6.832,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 450,451,
&end
#
#  30  ARG H  36  TYR QD
 &rst iat= 443, -1, r1= 0, r2= 0, r3= 6.048, r4= 6.608,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 541,550,
&end
#
#  30  ARG H  36  TYR QE
 &rst iat= 443, -1, r1= 0, r2= 0, r3= 5.152, r4= 5.712,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 543,548,
&end
#
#  30  ARG HA  36  TYR QD
 &rst iat= 445, -1, r1= 0, r2= 0, r3= 5.376, r4= 5.936,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 541,550,
&end
#
#  30  ARG HA  36  TYR QE
 &rst iat= 445, -1, r1= 0, r2= 0, r3= 4.928, r4= 5.488,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 543,548,
&end
#
#  30  ARG QB  36  TYR QE
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.52288, r4= 7.15008,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 447,448,
igr2= 543,548,
&end
#
#  30  ARG QG  36  TYR QE
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.64832, r4= 7.27552,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 450,451,
igr2= 543,548,
&end
#
#  30  ARG HA  110  PHE QB
 &rst iat= 445, -1, r1= 0, r2= 0, r3= 6.496, r4= 7.056,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1708,1709,
&end
#
#  30  ARG QB  110  PHE QD
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.52288, r4= 7.15008,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 447,448,
igr2= 1712,1720,
&end
#
#  30  ARG QB  110  PHE QE
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 7.5264, r4= 8.1536,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 447,448,
igr2= 1714,1718,
&end
#
#  31  ALA H  31  ALA QB
 &rst iat= 467, -1, r1= 0, r2= 0, r3= 4.44, r4= 5.04,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 471,472,473,
&end
#
#  31  ALA H  32  SER H
 &rst iat= 467,477, r1= 0, r2= 0, r3= 6, r4= 6.5,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  31  ALA H  32  SER QB
 &rst iat= 467, -1, r1= 0, r2= 0, r3= 6.72, r4= 7.28,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 481,482,
&end
#
#  31  ALA HA  32  SER HA
 &rst iat= 469,479, r1= 0, r2= 0, r3= 4.4, r4= 4.9,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  31  ALA QB  32  SER H
 &rst iat= -1,477, r1= 0, r2= 0, r3= 5.16, r4= 5.76,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 471,472,473,
&end
#
#  31  ALA QB  32  SER HA
 &rst iat= -1,479, r1= 0, r2= 0, r3= 5.76, r4= 6.36,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 471,472,473,
&end
#
#  31  ALA QB  32  SER QB
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.5856, r4= 7.2576,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 471,472,473,
igr2= 481,482,
&end
#
#  31  ALA HA  33  ASN H
 &rst iat= 469,488, r1= 0, r2= 0, r3= 6, r4= 6.5,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  31  ALA QB  33  ASN H
 &rst iat= -1,488, r1= 0, r2= 0, r3= 7.2, r4= 7.8,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 471,472,473,
&end
#
#  31  ALA QB  33  ASN HA
 &rst iat= -1,490, r1= 0, r2= 0, r3= 6.96, r4= 7.56,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 471,472,473,
&end
#
#  31  ALA QB  35  GLY H
 &rst iat= -1,526, r1= 0, r2= 0, r3= 7.2, r4= 7.8,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 471,472,473,
&end
#
#  31  ALA QB  35  GLY QA
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.4512, r4= 7.1232,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 471,472,473,
igr2= 528,529,
&end
#
#  31  ALA QB  36  TYR HA
 &rst iat= -1,535, r1= 0, r2= 0, r3= 7.2, r4= 7.8,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 471,472,473,
&end
#
#  32  SER H  32  SER QB
 &rst iat= 477, -1, r1= 0, r2= 0, r3= 4.704, r4= 5.264,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 481,482,
&end
#
#  32  SER HA  32  SER QB
 &rst iat= 479, -1, r1= 0, r2= 0, r3= 3.136, r4= 3.696,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 481,482,
&end
#
#  32  SER H  33  ASN H
 &rst iat= 477,488, r1= 0, r2= 0, r3= 5.6, r4= 6.1,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  32  SER H  33  ASN HA
 &rst iat= 477,490, r1= 0, r2= 0, r3= 5.6, r4= 6.1,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  32  SER HA  33  ASN HA
 &rst iat= 479,490, r1= 0, r2= 0, r3= 5, r4= 5.5,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  32  SER HA  33  ASN QD
 &rst iat= 479, -1, r1= 0, r2= 0, r3= 6.72, r4= 7.28,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 497,498,
&end
#
#  32  SER QB  33  ASN H
 &rst iat= -1,488, r1= 0, r2= 0, r3= 5.6, r4= 6.16,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 481,482,
&end
#
#  32  SER QB  33  ASN QD
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 7.5264, r4= 8.1536,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 481,482,
igr2= 497,498,
&end
#
#  32  SER QB  34  ARG H
 &rst iat= -1,502, r1= 0, r2= 0, r3= 6.496, r4= 7.056,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 481,482,
&end
#
#  32  SER H  35  GLY H
 &rst iat= 477,526, r1= 0, r2= 0, r3= 5.3, r4= 5.8,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  32  SER H  36  TYR HA
 &rst iat= 477,535, r1= 0, r2= 0, r3= 5.6, r4= 6.1,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  33  ASN H  33  ASN QD
 &rst iat= 488, -1, r1= 0, r2= 0, r3= 6.608, r4= 7.168,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 497,498,
&end
#
#  33  ASN HA  33  ASN QB
 &rst iat= 490, -1, r1= 0, r2= 0, r3= 3.248, r4= 3.808,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 492,493,
&end
#
#  33  ASN HA  33  ASN QD
 &rst iat= 490, -1, r1= 0, r2= 0, r3= 6.048, r4= 6.608,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 497,498,
&end
#
#  33  ASN QB  33  ASN QD
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 4.89216, r4= 5.51936,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 492,493,
igr2= 497,498,
&end
#
#  33  ASN H  34  ARG H
 &rst iat= 488,502, r1= 0, r2= 0, r3= 4.7, r4= 5.2,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  33  ASN H  34  ARG HA
 &rst iat= 488,504, r1= 0, r2= 0, r3= 6, r4= 6.5,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  33  ASN H  34  ARG QD
 &rst iat= 488, -1, r1= 0, r2= 0, r3= 5.6, r4= 6.16,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 512,513,
&end
#
#  33  ASN HA  34  ARG QG
 &rst iat= 490, -1, r1= 0, r2= 0, r3= 5.824, r4= 6.384,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 509,510,
&end
#
#  33  ASN QB  34  ARG H
 &rst iat= -1,502, r1= 0, r2= 0, r3= 5.04, r4= 5.6,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 492,493,
&end
#
#  33  ASN QB  34  ARG HA
 &rst iat= -1,504, r1= 0, r2= 0, r3= 5.488, r4= 6.048,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 492,493,
&end
#
#  33  ASN QB  34  ARG QB
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 7.5264, r4= 8.1536,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 492,493,
igr2= 506,507,
&end
#
#  33  ASN QD  34  ARG H
 &rst iat= -1,502, r1= 0, r2= 0, r3= 6.048, r4= 6.608,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 497,498,
&end
#
#  33  ASN QD  34  ARG QB
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 7.5264, r4= 8.1536,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 497,498,
igr2= 506,507,
&end
#
#  33  ASN QD  34  ARG QG
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 7.5264, r4= 8.1536,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 497,498,
igr2= 509,510,
&end
#
#  33  ASN QD  34  ARG QD
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 7.5264, r4= 8.1536,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 497,498,
igr2= 512,513,
&end
#
#  33  ASN H  35  GLY H
 &rst iat= 488,526, r1= 0, r2= 0, r3= 5.8, r4= 6.3,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  33  ASN QB  35  GLY H
 &rst iat= -1,526, r1= 0, r2= 0, r3= 6.72, r4= 7.28,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 492,493,
&end
#
#  33  ASN QD  35  GLY H
 &rst iat= -1,526, r1= 0, r2= 0, r3= 6.72, r4= 7.28,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 497,498,
&end
#
#  33  ASN QD  35  GLY QA
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 7.5264, r4= 8.1536,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 497,498,
igr2= 528,529,
&end
#
#  33  ASN QD  37  ARG QD
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 7.27552, r4= 7.90272,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 497,498,
igr2= 564,565,
&end
#
#  34  ARG H  34  ARG QB
 &rst iat= 502, -1, r1= 0, r2= 0, r3= 4.144, r4= 4.704,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 506,507,
&end
#
#  34  ARG H  34  ARG QG
 &rst iat= 502, -1, r1= 0, r2= 0, r3= 4.368, r4= 4.928,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 509,510,
&end
#
#  34  ARG H  34  ARG QD
 &rst iat= 502, -1, r1= 0, r2= 0, r3= 5.264, r4= 5.824,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 512,513,
&end
#
#  34  ARG HA  34  ARG QG
 &rst iat= 504, -1, r1= 0, r2= 0, r3= 3.696, r4= 4.256,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 509,510,
&end
#
#  34  ARG HA  34  ARG QD
 &rst iat= 504, -1, r1= 0, r2= 0, r3= 4.032, r4= 4.592,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 512,513,
&end
#
#  34  ARG QB  34  ARG QD
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 4.26496, r4= 4.89216,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 506,507,
igr2= 512,513,
&end
#
#  34  ARG QG  34  ARG QD
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 3.63776, r4= 4.26496,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 509,510,
igr2= 512,513,
&end
#
#  34  ARG H  35  GLY H
 &rst iat= 502,526, r1= 0, r2= 0, r3= 3.9, r4= 4.4,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  34  ARG H  35  GLY QA
 &rst iat= 502, -1, r1= 0, r2= 0, r3= 5.04, r4= 5.6,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 528,529,
&end
#
#  34  ARG HA  35  GLY QA
 &rst iat= 504, -1, r1= 0, r2= 0, r3= 4.704, r4= 5.264,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 528,529,
&end
#
#  34  ARG QB  35  GLY H
 &rst iat= -1,526, r1= 0, r2= 0, r3= 4.256, r4= 4.816,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 506,507,
&end
#
#  34  ARG QB  35  GLY QA
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.02112, r4= 6.64832,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 506,507,
igr2= 528,529,
&end
#
#  34  ARG QG  35  GLY H
 &rst iat= -1,526, r1= 0, r2= 0, r3= 4.816, r4= 5.376,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 509,510,
&end
#
#  34  ARG QD  35  GLY H
 &rst iat= -1,526, r1= 0, r2= 0, r3= 5.6, r4= 6.16,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 512,513,
&end
#
#  34  ARG H  36  TYR H
 &rst iat= 502,533, r1= 0, r2= 0, r3= 6, r4= 6.5,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  34  ARG QB  37  ARG QG
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.14656, r4= 6.77376,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 506,507,
igr2= 561,562,
&end
#
#  34  ARG QD  37  ARG QD
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 7.27552, r4= 7.90272,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 512,513,
igr2= 564,565,
&end
#
#  34  ARG QB  91  THR QG2
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.9888, r4= 7.6608,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 506,507,
igr2= 1417,1418,1419,
&end
#
#  34  ARG QG  91  THR QG2
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.5856, r4= 7.2576,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 509,510,
igr2= 1417,1418,1419,
&end
#
#  35  GLY H  36  TYR H
 &rst iat= 526,533, r1= 0, r2= 0, r3= 4.1, r4= 4.6,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  35  GLY H  36  TYR HA
 &rst iat= 526,535, r1= 0, r2= 0, r3= 5.8, r4= 6.3,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  35  GLY H  36  TYR QD
 &rst iat= 526, -1, r1= 0, r2= 0, r3= 6.72, r4= 7.28,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 541,550,
&end
#
#  35  GLY QA  36  TYR H
 &rst iat= -1,533, r1= 0, r2= 0, r3= 3.584, r4= 4.144,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 528,529,
&end
#
#  35  GLY QA  36  TYR HA
 &rst iat= -1,535, r1= 0, r2= 0, r3= 5.6, r4= 6.16,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 528,529,
&end
#
#  35  GLY QA  36  TYR QB
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.89568, r4= 6.52288,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 528,529,
igr2= 537,538,
&end
#
#  35  GLY QA  36  TYR QD
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.51936, r4= 6.14656,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 528,529,
igr2= 541,550,
&end
#
#  35  GLY QA  36  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= 528,529,
igr2= 543,548,
&end
#
#  35  GLY H  37  ARG H
 &rst iat= 526,554, r1= 0, r2= 0, r3= 6, r4= 6.5,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  35  GLY H  37  ARG QG
 &rst iat= 526, -1, r1= 0, r2= 0, r3= 5.936, r4= 6.496,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 561,562,
&end
#
#  35  GLY QA  37  ARG H
 &rst iat= -1,554, r1= 0, r2= 0, r3= 6.048, r4= 6.608,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 528,529,
&end
#
#  35  GLY QA  37  ARG QG
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 7.5264, r4= 8.1536,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 528,529,
igr2= 561,562,
&end
#
#  35  GLY QA  37  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= 528,529,
igr2= 564,565,
&end
#
#  35  GLY H  91  THR QG2
 &rst iat= 526, -1, r1= 0, r2= 0, r3= 5.4, r4= 6,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1417,1418,1419,
&end
#
#  35  GLY QA  91  THR QG2
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 4.704, r4= 5.376,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 528,529,
igr2= 1417,1418,1419,
&end
#
#  36  TYR H  36  TYR QB
 &rst iat= 533, -1, r1= 0, r2= 0, r3= 4.368, r4= 4.928,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 537,538,
&end
#
#  36  TYR H  36  TYR QD
 &rst iat= 533, -1, r1= 0, r2= 0, r3= 4.256, r4= 4.816,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 541,550,
&end
#
#  36  TYR HA  36  TYR QD
 &rst iat= 535, -1, r1= 0, r2= 0, r3= 3.92, r4= 4.48,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 541,550,
&end
#
#  36  TYR HA  36  TYR QE
 &rst iat= 535, -1, r1= 0, r2= 0, r3= 5.152, r4= 5.712,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 543,548,
&end
#
#  36  TYR H  37  ARG H
 &rst iat= 533,554, r1= 0, r2= 0, r3= 4.5, r4= 5,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  36  TYR H  37  ARG QD
 &rst iat= 533, -1, r1= 0, r2= 0, r3= 4.928, r4= 5.488,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 564,565,
&end
#
#  36  TYR HA  37  ARG H
 &rst iat= 535,554, r1= 0, r2= 0, r3= 3.5, r4= 4,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  36  TYR HA  37  ARG QB
 &rst iat= 535, -1, r1= 0, r2= 0, r3= 5.936, r4= 6.496,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 558,559,
&end
#
#  36  TYR HA  37  ARG QD
 &rst iat= 535, -1, r1= 0, r2= 0, r3= 5.152, r4= 5.712,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 564,565,
&end
#
#  36  TYR QB  37  ARG H
 &rst iat= -1,554, r1= 0, r2= 0, r3= 5.152, r4= 5.712,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 537,538,
&end
#
#  36  TYR QB  37  ARG HA
 &rst iat= -1,556, r1= 0, r2= 0, r3= 5.824, r4= 6.384,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 537,538,
&end
#
#  36  TYR QB  37  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= 537,538,
igr2= 558,559,
&end
#
#  36  TYR QD  37  ARG H
 &rst iat= -1,554, r1= 0, r2= 0, r3= 4.928, r4= 5.488,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 541,550,
&end
#
#  36  TYR H  38  ALA H
 &rst iat= 533,578, r1= 0, r2= 0, r3= 6, r4= 6.5,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  36  TYR QB  38  ALA H
 &rst iat= -1,578, r1= 0, r2= 0, r3= 6.72, r4= 7.28,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 537,538,
&end
#
#  36  TYR QB  38  ALA HA
 &rst iat= -1,580, r1= 0, r2= 0, r3= 6.72, r4= 7.28,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 537,538,
&end
#
#  36  TYR HA  40  ASP QB
 &rst iat= 535, -1, r1= 0, r2= 0, r3= 5.6, r4= 6.16,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 603,604,
&end
#
#  36  TYR H  41  TRP HE1
 &rst iat= 533,621, r1= 0, r2= 0, r3= 5.8, r4= 6.3,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  36  TYR H  41  TRP HZ2
 &rst iat= 533,624, r1= 0, r2= 0, r3= 5.6, r4= 6.1,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  36  TYR HA  41  TRP HE1
 &rst iat= 535,621, r1= 0, r2= 0, r3= 5.5, r4= 6,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  36  TYR HA  41  TRP HZ2
 &rst iat= 535,624, r1= 0, r2= 0, r3= 5.5, r4= 6,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  36  TYR QB  41  TRP HZ2
 &rst iat= -1,624, r1= 0, r2= 0, r3= 5.824, r4= 6.384,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 537,538,
&end
#
#  36  TYR QB  41  TRP HH2
 &rst iat= -1,626, r1= 0, r2= 0, r3= 5.712, r4= 6.272,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 537,538,
&end
#
#  36  TYR QD  41  TRP HD1
 &rst iat= -1,619, r1= 0, r2= 0, r3= 5.264, r4= 5.824,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 541,550,
&end
#
#  36  TYR QD  41  TRP HE1
 &rst iat= -1,621, r1= 0, r2= 0, r3= 4.816, r4= 5.376,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 541,550,
&end
#
#  36  TYR QD  41  TRP HZ2
 &rst iat= -1,624, r1= 0, r2= 0, r3= 4.816, r4= 5.376,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 541,550,
&end
#
#  36  TYR QE  41  TRP HE1
 &rst iat= -1,621, r1= 0, r2= 0, r3= 6.72, r4= 7.28,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 543,548,
&end
#
#  36  TYR QD  88  GLU HA
 &rst iat= -1,1368, r1= 0, r2= 0, r3= 6.72, r4= 7.28,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 541,550,
&end
#
#  36  TYR QD  88  GLU QB
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.51936, r4= 6.14656,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 541,550,
igr2= 1370,1371,
&end
#
#  36  TYR QD  88  GLU QG
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 4.89216, r4= 5.51936,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 541,550,
igr2= 1373,1374,
&end
#
#  36  TYR QE  88  GLU QB
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.26848, r4= 5.89568,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 543,548,
igr2= 1370,1371,
&end
#
#  36  TYR QE  88  GLU QG
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.26848, r4= 5.89568,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 543,548,
igr2= 1373,1374,
&end
#
#  36  TYR QD  89  THR H
 &rst iat= -1,1381, r1= 0, r2= 0, r3= 6.384, r4= 6.944,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 541,550,
&end
#
#  36  TYR H  90  VAL HA
 &rst iat= 533,1397, r1= 0, r2= 0, r3= 5, r4= 5.5,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  36  TYR H  90  VAL HB
 &rst iat= 533,1399, r1= 0, r2= 0, r3= 5.3, r4= 5.8,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  36  TYR H  90  VAL QG
 &rst iat= 533, -1, r1= 0, r2= 0, r3= 6.48, r4= 7.155,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1401,1402,1403,1405,1406,1407,
&end
#
#  36  TYR HA  90  VAL HA
 &rst iat= 535,1397, r1= 0, r2= 0, r3= 5.3, r4= 5.8,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  36  TYR HA  90  VAL QG
 &rst iat= 535, -1, r1= 0, r2= 0, r3= 8.1, r4= 8.775,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1401,1402,1403,1405,1406,1407,
&end
#
#  36  TYR QB  90  VAL H
 &rst iat= -1,1395, r1= 0, r2= 0, r3= 6.496, r4= 7.056,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 537,538,
&end
#
#  36  TYR QB  90  VAL HA
 &rst iat= -1,1397, r1= 0, r2= 0, r3= 5.264, r4= 5.824,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 537,538,
&end
#
#  36  TYR QB  90  VAL QG
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.1992, r4= 6.9552,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 537,538,
igr2= 1401,1402,1403,1405,1406,1407,
&end
#
#  36  TYR QD  90  VAL HA
 &rst iat= -1,1397, r1= 0, r2= 0, r3= 5.488, r4= 6.048,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 541,550,
&end
#
#  36  TYR QD  90  VAL HB
 &rst iat= -1,1399, r1= 0, r2= 0, r3= 6.72, r4= 7.28,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 541,550,
&end
#
#  36  TYR QD  90  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= 541,550,
igr2= 1401,1402,1403,1405,1406,1407,
&end
#
#  36  TYR H  91  THR H
 &rst iat= 533,1411, r1= 0, r2= 0, r3= 5.4, r4= 5.9,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  36  TYR H  91  THR HB
 &rst iat= 533,1415, r1= 0, r2= 0, r3= 5.9, r4= 6.4,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  36  TYR H  91  THR QG2
 &rst iat= 533, -1, r1= 0, r2= 0, r3= 5.4, r4= 6,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1417,1418,1419,
&end
#
#  36  TYR QD  91  THR QG2
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 7.392, r4= 8.064,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 541,550,
igr2= 1417,1418,1419,
&end
#
#  36  TYR H  98  VAL QG
 &rst iat= 533, -1, r1= 0, r2= 0, r3= 7.425, r4= 8.1,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1530,1531,1532,1534,1535,1536,
&end
#
#  36  TYR HA  98  VAL QG
 &rst iat= 535, -1, r1= 0, r2= 0, r3= 7.02, r4= 7.695,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1530,1531,1532,1534,1535,1536,
&end
#
#  36  TYR QB  98  VAL QG
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.9552, r4= 7.7112,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 537,538,
igr2= 1530,1531,1532,1534,1535,1536,
&end
#
#  36  TYR QD  98  VAL HB
 &rst iat= -1,1528, r1= 0, r2= 0, r3= 5.264, r4= 5.824,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 541,550,
&end
#
#  36  TYR QD  98  VAL QG
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.5944, r4= 6.3504,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 541,550,
igr2= 1530,1531,1532,1534,1535,1536,
&end
#
#  36  TYR QE  98  VAL HB
 &rst iat= -1,1528, r1= 0, r2= 0, r3= 5.04, r4= 5.6,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 543,548,
&end
#
#  36  TYR QE  98  VAL QG
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.7456, r4= 6.5016,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 543,548,
igr2= 1530,1531,1532,1534,1535,1536,
&end
#
#  36  TYR QE  110  PHE QD
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.52288, r4= 7.15008,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 543,548,
igr2= 1712,1720,
&end
#
#  36  TYR QD  112  GLY QA
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 7.5264, r4= 8.1536,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 541,550,
igr2= 1745,1746,
&end
#
#  37  ARG H  37  ARG QB
 &rst iat= 554, -1, r1= 0, r2= 0, r3= 3.472, r4= 4.032,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 558,559,
&end
#
#  37  ARG H  37  ARG QG
 &rst iat= 554, -1, r1= 0, r2= 0, r3= 5.04, r4= 5.6,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 561,562,
&end
#
#  37  ARG H  37  ARG QD
 &rst iat= 554, -1, r1= 0, r2= 0, r3= 5.6, r4= 6.16,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 564,565,
&end
#
#  37  ARG HA  37  ARG H
 &rst iat= 556,554, r1= 0, r2= 0, r3= 2.7, r4= 3.2,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  37  ARG HA  37  ARG QD
 &rst iat= 556, -1, r1= 0, r2= 0, r3= 5.152, r4= 5.712,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 564,565,
&end
#
#  37  ARG QB  37  ARG QD
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 4.64128, r4= 5.26848,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 558,559,
igr2= 564,565,
&end
#
#  37  ARG H  38  ALA H
 &rst iat= 554,578, r1= 0, r2= 0, r3= 5.3, r4= 5.8,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  37  ARG H  38  ALA QB
 &rst iat= 554, -1, r1= 0, r2= 0, r3= 7.2, r4= 7.8,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 582,583,584,
&end
#
#  37  ARG HA  38  ALA H
 &rst iat= 556,578, r1= 0, r2= 0, r3= 2.5, r4= 3,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  37  ARG HA  38  ALA QB
 &rst iat= 556, -1, r1= 0, r2= 0, r3= 4.92, r4= 5.52,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 582,583,584,
&end
#
#  37  ARG QB  38  ALA H
 &rst iat= -1,578, r1= 0, r2= 0, r3= 6.496, r4= 7.056,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 558,559,
&end
#
#  37  ARG QG  38  ALA H
 &rst iat= -1,578, r1= 0, r2= 0, r3= 5.824, r4= 6.384,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 561,562,
&end
#
#  37  ARG QD  38  ALA H
 &rst iat= -1,578, r1= 0, r2= 0, r3= 6.72, r4= 7.28,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 564,565,
&end
#
#  37  ARG H  39  SER H
 &rst iat= 554,588, r1= 0, r2= 0, r3= 5.8, r4= 6.3,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  37  ARG QB  39  SER HA
 &rst iat= -1,590, r1= 0, r2= 0, r3= 6.72, r4= 7.28,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 558,559,
&end
#
#  37  ARG QB  39  SER QB
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.272, r4= 6.8992,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 558,559,
igr2= 592,593,
&end
#
#  37  ARG H  40  ASP H
 &rst iat= 554,599, r1= 0, r2= 0, r3= 5.7, r4= 6.2,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  37  ARG HA  40  ASP QB
 &rst iat= 556, -1, r1= 0, r2= 0, r3= 5.488, r4= 6.048,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 603,604,
&end
#
#  37  ARG QB  40  ASP H
 &rst iat= -1,599, r1= 0, r2= 0, r3= 5.264, r4= 5.824,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 558,559,
&end
#
#  37  ARG QB  40  ASP QB
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.14656, r4= 6.77376,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 558,559,
igr2= 603,604,
&end
#
#  37  ARG QG  40  ASP H
 &rst iat= -1,599, r1= 0, r2= 0, r3= 6.16, r4= 6.72,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 561,562,
&end
#
#  37  ARG QD  40  ASP H
 &rst iat= -1,599, r1= 0, r2= 0, r3= 4.928, r4= 5.488,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 564,565,
&end
#
#  37  ARG H  41  TRP HE1
 &rst iat= 554,621, r1= 0, r2= 0, r3= 4.8, r4= 5.3,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  37  ARG H  41  TRP HZ2
 &rst iat= 554,624, r1= 0, r2= 0, r3= 5.4, r4= 5.9,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  37  ARG HA  41  TRP HE1
 &rst iat= 556,621, r1= 0, r2= 0, r3= 5.6, r4= 6.1,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  37  ARG QD  41  TRP HE1
 &rst iat= -1,621, r1= 0, r2= 0, r3= 4.816, r4= 5.376,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 564,565,
&end
#
#  37  ARG H  90  VAL HA
 &rst iat= 554,1397, r1= 0, r2= 0, r3= 3.4, r4= 3.9,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  37  ARG H  90  VAL HB
 &rst iat= 554,1399, r1= 0, r2= 0, r3= 5.4, r4= 5.9,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  37  ARG H  90  VAL QG
 &rst iat= 554, -1, r1= 0, r2= 0, r3= 6.885, r4= 7.56,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1401,1402,1403,1405,1406,1407,
&end
#
#  37  ARG HA  90  VAL HB
 &rst iat= 556,1399, r1= 0, r2= 0, r3= 4.6, r4= 5.1,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  37  ARG HA  90  VAL QG
 &rst iat= 556, -1, r1= 0, r2= 0, r3= 6.345, r4= 7.02,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1401,1402,1403,1405,1406,1407,
&end
#
#  37  ARG QB  90  VAL HB
 &rst iat= -1,1399, r1= 0, r2= 0, r3= 5.824, r4= 6.384,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 558,559,
&end
#
#  37  ARG QG  90  VAL HA
 &rst iat= -1,1397, r1= 0, r2= 0, r3= 6.72, r4= 7.28,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 561,562,
&end
#
#  37  ARG QG  90  VAL QG
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 9.072, r4= 9.828,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 561,562,
igr2= 1401,1402,1403,1405,1406,1407,
&end
#
#  37  ARG H  91  THR QG2
 &rst iat= 554, -1, r1= 0, r2= 0, r3= 6.48, r4= 7.08,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1417,1418,1419,
&end
#
#  37  ARG HA  91  THR H
 &rst iat= 556,1411, r1= 0, r2= 0, r3= 4.7, r4= 5.2,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  37  ARG HA  91  THR HA
 &rst iat= 556,1413, r1= 0, r2= 0, r3= 4.8, r4= 5.3,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  37  ARG HA  91  THR QG2
 &rst iat= 556, -1, r1= 0, r2= 0, r3= 3.96, r4= 4.56,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1417,1418,1419,
&end
#
#  37  ARG QB  91  THR HB
 &rst iat= -1,1415, r1= 0, r2= 0, r3= 6.496, r4= 7.056,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 558,559,
&end
#
#  37  ARG QB  91  THR QG2
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.6448, r4= 6.3168,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 558,559,
igr2= 1417,1418,1419,
&end
#
#  37  ARG QG  91  THR QG2
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 4.4352, r4= 5.1072,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 561,562,
igr2= 1417,1418,1419,
&end
#
#  37  ARG QD  91  THR QG2
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.8544, r4= 7.5264,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 564,565,
igr2= 1417,1418,1419,
&end
#
#  37  ARG H  92  ASP H
 &rst iat= 554,1425, r1= 0, r2= 0, r3= 5.9, r4= 6.4,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  37  ARG HA  92  ASP H
 &rst iat= 556,1425, r1= 0, r2= 0, r3= 5.2, r4= 5.7,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  37  ARG H  98  VAL QG
 &rst iat= 554, -1, r1= 0, r2= 0, r3= 8.1, r4= 8.775,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1530,1531,1532,1534,1535,1536,
&end
#
#  38  ALA H  38  ALA QB
 &rst iat= 578, -1, r1= 0, r2= 0, r3= 4.44, r4= 5.04,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 582,583,584,
&end
#
#  38  ALA H  39  SER H
 &rst iat= 578,588, r1= 0, r2= 0, r3= 4.8, r4= 5.3,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  38  ALA H  39  SER HA
 &rst iat= 578,590, r1= 0, r2= 0, r3= 5.7, r4= 6.2,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  38  ALA H  39  SER QB
 &rst iat= 578, -1, r1= 0, r2= 0, r3= 6.72, r4= 7.28,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 592,593,
&end
#
#  38  ALA HA  39  SER HA
 &rst iat= 580,590, r1= 0, r2= 0, r3= 5.1, r4= 5.6,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  38  ALA HA  39  SER QB
 &rst iat= 580, -1, r1= 0, r2= 0, r3= 6.72, r4= 7.28,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 592,593,
&end
#
#  38  ALA QB  39  SER H
 &rst iat= -1,588, r1= 0, r2= 0, r3= 6, r4= 6.6,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 582,583,584,
&end
#
#  38  ALA QB  39  SER HA
 &rst iat= -1,590, r1= 0, r2= 0, r3= 5.28, r4= 5.88,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 582,583,584,
&end
#
#  38  ALA QB  39  SER QB
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.8544, r4= 7.5264,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 582,583,584,
igr2= 592,593,
&end
#
#  38  ALA H  40  ASP H
 &rst iat= 578,599, r1= 0, r2= 0, r3= 5.8, r4= 6.3,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  38  ALA HA  40  ASP H
 &rst iat= 580,599, r1= 0, r2= 0, r3= 4.6, r4= 5.1,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  38  ALA HA  40  ASP QB
 &rst iat= 580, -1, r1= 0, r2= 0, r3= 6.048, r4= 6.608,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 603,604,
&end
#
#  38  ALA QB  40  ASP H
 &rst iat= -1,599, r1= 0, r2= 0, r3= 6, r4= 6.6,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 582,583,584,
&end
#
#  38  ALA H  41  TRP H
 &rst iat= 578,611, r1= 0, r2= 0, r3= 6, r4= 6.5,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  38  ALA HA  41  TRP H
 &rst iat= 580,611, r1= 0, r2= 0, r3= 4.1, r4= 4.6,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  38  ALA HA  41  TRP QB
 &rst iat= 580, -1, r1= 0, r2= 0, r3= 5.824, r4= 6.384,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 615,616,
&end
#
#  38  ALA HA  41  TRP HD1
 &rst iat= 580,619, r1= 0, r2= 0, r3= 5.2, r4= 5.7,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  38  ALA HA  41  TRP HE1
 &rst iat= 580,621, r1= 0, r2= 0, r3= 4.5, r4= 5,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  38  ALA HA  41  TRP HE3
 &rst iat= 580,630, r1= 0, r2= 0, r3= 5, r4= 5.5,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  38  ALA HA  41  TRP HZ2
 &rst iat= 580,624, r1= 0, r2= 0, r3= 4.7, r4= 5.2,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  38  ALA HA  41  TRP HH2
 &rst iat= 580,626, r1= 0, r2= 0, r3= 4.6, r4= 5.1,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  38  ALA QB  41  TRP H
 &rst iat= -1,611, r1= 0, r2= 0, r3= 6.36, r4= 6.96,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 582,583,584,
&end
#
#  38  ALA QB  41  TRP QB
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 7.5264, r4= 8.1984,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 582,583,584,
igr2= 615,616,
&end
#
#  38  ALA QB  41  TRP HE1
 &rst iat= -1,621, r1= 0, r2= 0, r3= 7.2, r4= 7.8,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 582,583,584,
&end
#
#  38  ALA QB  41  TRP HE3
 &rst iat= -1,630, r1= 0, r2= 0, r3= 6.6, r4= 7.2,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 582,583,584,
&end
#
#  38  ALA QB  41  TRP HZ2
 &rst iat= -1,624, r1= 0, r2= 0, r3= 5.28, r4= 5.88,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 582,583,584,
&end
#
#  38  ALA QB  41  TRP HZ3
 &rst iat= -1,628, r1= 0, r2= 0, r3= 5.4, r4= 6,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 582,583,584,
&end
#
#  38  ALA QB  41  TRP HH2
 &rst iat= -1,626, r1= 0, r2= 0, r3= 5.28, r4= 5.88,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 582,583,584,
&end
#
#  38  ALA HA  43  LEU QD
 &rst iat= 580, -1, r1= 0, r2= 0, r3= 7.155, r4= 7.83,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 666,667,668,670,671,672,
&end
#
#  38  ALA QB  43  LEU HA
 &rst iat= -1,659, r1= 0, r2= 0, r3= 5.4, r4= 6,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 582,583,584,
&end
#
#  38  ALA QB  43  LEU QB
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 7.1232, r4= 7.7952,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 582,583,584,
igr2= 661,662,
&end
#
#  38  ALA QB  43  LEU HG
 &rst iat= -1,664, r1= 0, r2= 0, r3= 7.2, r4= 7.8,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 582,583,584,
&end
#
#  38  ALA QB  43  LEU QD
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.994, r4= 6.804,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 582,583,584,
igr2= 666,667,668,670,671,672,
&end
#
#  38  ALA H  90  VAL HB
 &rst iat= 578,1399, r1= 0, r2= 0, r3= 5.2, r4= 5.7,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  38  ALA H  90  VAL QG
 &rst iat= 578, -1, r1= 0, r2= 0, r3= 5.805, r4= 6.48,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1401,1402,1403,1405,1406,1407,
&end
#
#  38  ALA HA  90  VAL QG
 &rst iat= 580, -1, r1= 0, r2= 0, r3= 5.94, r4= 6.615,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1401,1402,1403,1405,1406,1407,
&end
#
#  38  ALA QB  90  VAL H
 &rst iat= -1,1395, r1= 0, r2= 0, r3= 7.2, r4= 7.8,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 582,583,584,
&end
#
#  38  ALA QB  90  VAL HA
 &rst iat= -1,1397, r1= 0, r2= 0, r3= 6.36, r4= 6.96,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 582,583,584,
&end
#
#  38  ALA QB  90  VAL HB
 &rst iat= -1,1399, r1= 0, r2= 0, r3= 5.76, r4= 6.36,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 582,583,584,
&end
#
#  38  ALA QB  90  VAL QG
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.832, r4= 6.642,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 582,583,584,
igr2= 1401,1402,1403,1405,1406,1407,
&end
#
#  38  ALA H  91  THR H
 &rst iat= 578,1411, r1= 0, r2= 0, r3= 5.5, r4= 6,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  38  ALA QB  91  THR H
 &rst iat= -1,1411, r1= 0, r2= 0, r3= 7.2, r4= 7.8,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 582,583,584,
&end
#
#  38  ALA QB  91  THR QG2
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 8.64, r4= 9.36,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 582,583,584,
igr2= 1417,1418,1419,
&end
#
#  38  ALA QB  92  ASP H
 &rst iat= -1,1425, r1= 0, r2= 0, r3= 7.2, r4= 7.8,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 582,583,584,
&end
#
#  38  ALA QB  93  SER QB
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 7.2576, r4= 7.9296,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 582,583,584,
igr2= 1441,1442,
&end
#
#  38  ALA H  96  TYR QD
 &rst iat= 578, -1, r1= 0, r2= 0, r3= 6.384, r4= 6.944,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1491,1500,
&end
#
#  38  ALA HA  96  TYR QB
 &rst iat= 580, -1, r1= 0, r2= 0, r3= 6.72, r4= 7.28,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1487,1488,
&end
#
#  38  ALA HA  96  TYR QD
 &rst iat= 580, -1, r1= 0, r2= 0, r3= 6.72, r4= 7.28,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1491,1500,
&end
#
#  38  ALA QB  96  TYR H
 &rst iat= -1,1483, r1= 0, r2= 0, r3= 6.24, r4= 6.84,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 582,583,584,
&end
#
#  38  ALA QB  96  TYR HA
 &rst iat= -1,1485, r1= 0, r2= 0, r3= 6.36, r4= 6.96,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 582,583,584,
&end
#
#  38  ALA QB  96  TYR QB
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.5104, r4= 6.1824,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 582,583,584,
igr2= 1487,1488,
&end
#
#  38  ALA QB  96  TYR QD
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 4.704, r4= 5.376,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 582,583,584,
igr2= 1491,1500,
&end
#
#  38  ALA QB  96  TYR QE
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 4.3008, r4= 4.9728,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 582,583,584,
igr2= 1493,1498,
&end
#
#  38  ALA QB  97  PHE H
 &rst iat= -1,1504, r1= 0, r2= 0, r3= 6.72, r4= 7.32,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 582,583,584,
&end
#
#  39  SER H  40  ASP H
 &rst iat= 588,599, r1= 0, r2= 0, r3= 4.7, r4= 5.2,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  39  SER HA  40  ASP HA
 &rst iat= 590,601, r1= 0, r2= 0, r3= 5.3, r4= 5.8,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  39  SER HA  40  ASP QB
 &rst iat= 590, -1, r1= 0, r2= 0, r3= 6.608, r4= 7.168,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 603,604,
&end
#
#  39  SER QB  40  ASP H
 &rst iat= -1,599, r1= 0, r2= 0, r3= 5.04, r4= 5.6,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 592,593,
&end
#
#  39  SER QB  40  ASP HA
 &rst iat= -1,601, r1= 0, r2= 0, r3= 4.928, r4= 5.488,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 592,593,
&end
#
#  39  SER QB  40  ASP QB
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.52288, r4= 7.15008,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 592,593,
igr2= 603,604,
&end
#
#  39  SER H  41  TRP H
 &rst iat= 588,611, r1= 0, r2= 0, r3= 5.8, r4= 6.3,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  39  SER HA  41  TRP H
 &rst iat= 590,611, r1= 0, r2= 0, r3= 4.3, r4= 4.8,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  39  SER QB  41  TRP H
 &rst iat= -1,611, r1= 0, r2= 0, r3= 6.384, r4= 6.944,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 592,593,
&end
#
#  39  SER HA  43  LEU H
 &rst iat= 590,657, r1= 0, r2= 0, r3= 5, r4= 5.5,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  39  SER HA  43  LEU QB
 &rst iat= 590, -1, r1= 0, r2= 0, r3= 5.6, r4= 6.16,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 661,662,
&end
#
#  39  SER HA  43  LEU HG
 &rst iat= 590,664, r1= 0, r2= 0, r3= 5, r4= 5.5,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  39  SER HA  43  LEU QD
 &rst iat= 590, -1, r1= 0, r2= 0, r3= 5.265, r4= 5.94,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 666,667,668,670,671,672,
&end
#
#  39  SER QB  43  LEU QB
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 7.5264, r4= 8.1536,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 592,593,
igr2= 661,662,
&end
#
#  39  SER QB  43  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= 592,593,
igr2= 666,667,668,670,671,672,
&end
#
#  40  ASP H  40  ASP QB
 &rst iat= 599, -1, r1= 0, r2= 0, r3= 3.92, r4= 4.48,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 603,604,
&end
#
#  40  ASP H  41  TRP H
 &rst iat= 599,611, r1= 0, r2= 0, r3= 3.4, r4= 3.9,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  40  ASP H  41  TRP HA
 &rst iat= 599,613, r1= 0, r2= 0, r3= 5.9, r4= 6.4,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  40  ASP H  41  TRP HD1
 &rst iat= 599,619, r1= 0, r2= 0, r3= 4.5, r4= 5,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  40  ASP H  41  TRP HE1
 &rst iat= 599,621, r1= 0, r2= 0, r3= 5.5, r4= 6,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  40  ASP HA  41  TRP HD1
 &rst iat= 601,619, r1= 0, r2= 0, r3= 5.1, r4= 5.6,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  40  ASP QB  41  TRP H
 &rst iat= -1,611, r1= 0, r2= 0, r3= 5.264, r4= 5.824,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 603,604,
&end
#
#  40  ASP QB  41  TRP QB
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.39744, r4= 7.02464,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 603,604,
igr2= 615,616,
&end
#
#  40  ASP QB  41  TRP HD1
 &rst iat= -1,619, r1= 0, r2= 0, r3= 4.928, r4= 5.488,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 603,604,
&end
#
#  40  ASP QB  41  TRP HE1
 &rst iat= -1,621, r1= 0, r2= 0, r3= 5.376, r4= 5.936,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 603,604,
&end
#
#  41  TRP H  41  TRP QB
 &rst iat= 611, -1, r1= 0, r2= 0, r3= 4.48, r4= 5.04,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 615,616,
&end
#
#  41  TRP H  41  TRP HD1
 &rst iat= 611,619, r1= 0, r2= 0, r3= 4.2, r4= 4.7,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  41  TRP H  41  TRP HE1
 &rst iat= 611,621, r1= 0, r2= 0, r3= 5.3, r4= 5.8,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  41  TRP HA  41  TRP HD1
 &rst iat= 613,619, r1= 0, r2= 0, r3= 3.9, r4= 4.4,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  41  TRP HA  41  TRP HE3
 &rst iat= 613,630, r1= 0, r2= 0, r3= 5.2, r4= 5.7,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  41  TRP H  42  LYS H
 &rst iat= 611,635, r1= 0, r2= 0, r3= 4.4, r4= 4.9,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  41  TRP HA  42  LYS HA
 &rst iat= 613,637, r1= 0, r2= 0, r3= 5.7, r4= 6.2,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  41  TRP HA  42  LYS QB
 &rst iat= 613, -1, r1= 0, r2= 0, r3= 6.384, r4= 6.944,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 639,640,
&end
#
#  41  TRP HA  42  LYS QD
 &rst iat= 613, -1, r1= 0, r2= 0, r3= 6.496, r4= 7.056,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 645,646,
&end
#
#  41  TRP QB  42  LYS H
 &rst iat= -1,635, r1= 0, r2= 0, r3= 4.144, r4= 4.704,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 615,616,
&end
#
#  41  TRP QB  42  LYS HA
 &rst iat= -1,637, r1= 0, r2= 0, r3= 5.712, r4= 6.272,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 615,616,
&end
#
#  41  TRP QB  42  LYS QB
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.272, r4= 6.8992,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 615,616,
igr2= 639,640,
&end
#
#  41  TRP HE3  42  LYS HA
 &rst iat= 630,637, r1= 0, r2= 0, r3= 5.3, r4= 5.8,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  41  TRP H  43  LEU H
 &rst iat= 611,657, r1= 0, r2= 0, r3= 5.7, r4= 6.2,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  41  TRP H  43  LEU HA
 &rst iat= 611,659, r1= 0, r2= 0, r3= 6, r4= 6.5,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  41  TRP H  43  LEU QB
 &rst iat= 611, -1, r1= 0, r2= 0, r3= 6.72, r4= 7.28,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 661,662,
&end
#
#  41  TRP H  43  LEU QD
 &rst iat= 611, -1, r1= 0, r2= 0, r3= 6.885, r4= 7.56,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 666,667,668,670,671,672,
&end
#
#  41  TRP HA  43  LEU H
 &rst iat= 613,657, r1= 0, r2= 0, r3= 6, r4= 6.5,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  41  TRP QB  43  LEU H
 &rst iat= -1,657, r1= 0, r2= 0, r3= 6.048, r4= 6.608,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 615,616,
&end
#
#  41  TRP HE3  43  LEU HA
 &rst iat= 630,659, r1= 0, r2= 0, r3= 4.9, r4= 5.4,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  41  TRP HE3  43  LEU QD
 &rst iat= 630, -1, r1= 0, r2= 0, r3= 7.83, r4= 8.505,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 666,667,668,670,671,672,
&end
#
#  41  TRP HE1  90  VAL HA
 &rst iat= 621,1397, r1= 0, r2= 0, r3= 5.8, r4= 6.3,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  41  TRP HE1  90  VAL QG
 &rst iat= 621, -1, r1= 0, r2= 0, r3= 7.02, r4= 7.695,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1401,1402,1403,1405,1406,1407,
&end
#
#  41  TRP HZ2  90  VAL HA
 &rst iat= 624,1397, r1= 0, r2= 0, r3= 5.3, r4= 5.8,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  41  TRP HZ2  90  VAL QG
 &rst iat= 624, -1, r1= 0, r2= 0, r3= 5.265, r4= 5.94,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1401,1402,1403,1405,1406,1407,
&end
#
#  41  TRP HZ3  90  VAL QG
 &rst iat= 628, -1, r1= 0, r2= 0, r3= 6.075, r4= 6.75,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1401,1402,1403,1405,1406,1407,
&end
#
#  41  TRP HH2  90  VAL HA
 &rst iat= 626,1397, r1= 0, r2= 0, r3= 5.3, r4= 5.8,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  41  TRP HH2  90  VAL QG
 &rst iat= 626, -1, r1= 0, r2= 0, r3= 5.4, r4= 6.075,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1401,1402,1403,1405,1406,1407,
&end
#
#  41  TRP HH2  96  TYR QD
 &rst iat= 626, -1, r1= 0, r2= 0, r3= 5.376, r4= 5.936,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1491,1500,
&end
#
#  41  TRP HH2  97  PHE H
 &rst iat= 626,1504, r1= 0, r2= 0, r3= 4.9, r4= 5.4,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  41  TRP HE1  98  VAL QG
 &rst iat= 621, -1, r1= 0, r2= 0, r3= 8.1, r4= 8.775,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1530,1531,1532,1534,1535,1536,
&end
#
#  41  TRP HZ2  98  VAL QG
 &rst iat= 624, -1, r1= 0, r2= 0, r3= 4.59, r4= 5.265,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1530,1531,1532,1534,1535,1536,
&end
#
#  41  TRP HZ3  98  VAL QG
 &rst iat= 628, -1, r1= 0, r2= 0, r3= 7.425, r4= 8.1,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1530,1531,1532,1534,1535,1536,
&end
#
#  41  TRP HH2  98  VAL HA
 &rst iat= 626,1526, r1= 0, r2= 0, r3= 5.5, r4= 6,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  41  TRP HH2  98  VAL QG
 &rst iat= 626, -1, r1= 0, r2= 0, r3= 5.265, r4= 5.94,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1530,1531,1532,1534,1535,1536,
&end
#
#  42  LYS H  42  LYS QB
 &rst iat= 635, -1, r1= 0, r2= 0, r3= 3.808, r4= 4.368,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 639,640,
&end
#
#  42  LYS H  42  LYS QG
 &rst iat= 635, -1, r1= 0, r2= 0, r3= 4.368, r4= 4.928,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 642,643,
&end
#
#  42  LYS H  42  LYS QD
 &rst iat= 635, -1, r1= 0, r2= 0, r3= 4.928, r4= 5.488,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 645,646,
&end
#
#  42  LYS HA  42  LYS H
 &rst iat= 637,635, r1= 0, r2= 0, r3= 3, r4= 3.5,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  42  LYS HA  42  LYS QG
 &rst iat= 637, -1, r1= 0, r2= 0, r3= 4.144, r4= 4.704,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 642,643,
&end
#
#  42  LYS HA  42  LYS QD
 &rst iat= 637, -1, r1= 0, r2= 0, r3= 4.928, r4= 5.488,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 645,646,
&end
#
#  42  LYS HA  42  LYS QE
 &rst iat= 637, -1, r1= 0, r2= 0, r3= 4.928, r4= 5.488,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 648,649,
&end
#
#  42  LYS QB  42  LYS QD
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 4.01408, r4= 4.64128,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 639,640,
igr2= 645,646,
&end
#
#  42  LYS QB  42  LYS QE
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 4.51584, r4= 5.14304,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 639,640,
igr2= 648,649,
&end
#
#  42  LYS QG  42  LYS QD
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 3.7632, r4= 4.3904,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 642,643,
igr2= 645,646,
&end
#
#  42  LYS QG  42  LYS QE
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 4.64128, r4= 5.26848,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 642,643,
igr2= 648,649,
&end
#
#  42  LYS QD  42  LYS QE
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 3.7632, r4= 4.3904,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 645,646,
igr2= 648,649,
&end
#
#  42  LYS H  43  LEU H
 &rst iat= 635,657, r1= 0, r2= 0, r3= 4.4, r4= 4.9,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  42  LYS H  43  LEU HA
 &rst iat= 635,659, r1= 0, r2= 0, r3= 5.8, r4= 6.3,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  42  LYS HA  43  LEU H
 &rst iat= 637,657, r1= 0, r2= 0, r3= 2.9, r4= 3.4,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  42  LYS HA  43  LEU HA
 &rst iat= 637,659, r1= 0, r2= 0, r3= 5.4, r4= 5.9,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  42  LYS HA  43  LEU HG
 &rst iat= 637,664, r1= 0, r2= 0, r3= 5.7, r4= 6.2,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  42  LYS HA  43  LEU QD
 &rst iat= 637, -1, r1= 0, r2= 0, r3= 8.1, r4= 8.775,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 666,667,668,670,671,672,
&end
#
#  42  LYS QB  43  LEU H
 &rst iat= -1,657, r1= 0, r2= 0, r3= 4.816, r4= 5.376,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 639,640,
&end
#
#  42  LYS QG  43  LEU H
 &rst iat= -1,657, r1= 0, r2= 0, r3= 5.6, r4= 6.16,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 642,643,
&end
#
#  42  LYS QD  43  LEU H
 &rst iat= -1,657, r1= 0, r2= 0, r3= 6.496, r4= 7.056,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 645,646,
&end
#
#  42  LYS QB  44  ASP H
 &rst iat= -1,676, r1= 0, r2= 0, r3= 5.264, r4= 5.824,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 639,640,
&end
#
#  42  LYS HA  45  GLN H
 &rst iat= 637,688, r1= 0, r2= 0, r3= 4.8, r4= 5.3,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  42  LYS HA  45  GLN QB
 &rst iat= 637, -1, r1= 0, r2= 0, r3= 5.936, r4= 6.496,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 692,693,
&end
#
#  42  LYS HA  45  GLN QG
 &rst iat= 637, -1, r1= 0, r2= 0, r3= 5.936, r4= 6.496,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 695,696,
&end
#
#  42  LYS HA  45  GLN QE
 &rst iat= 637, -1, r1= 0, r2= 0, r3= 6.72, r4= 7.28,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 700,701,
&end
#
#  42  LYS QB  45  GLN H
 &rst iat= -1,688, r1= 0, r2= 0, r3= 4.368, r4= 4.928,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 639,640,
&end
#
#  42  LYS QB  45  GLN HA
 &rst iat= -1,690, r1= 0, r2= 0, r3= 5.264, r4= 5.824,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 639,640,
&end
#
#  42  LYS QB  45  GLN QE
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.39744, r4= 7.02464,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 639,640,
igr2= 700,701,
&end
#
#  42  LYS QG  45  GLN H
 &rst iat= -1,688, r1= 0, r2= 0, r3= 5.824, r4= 6.384,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 642,643,
&end
#
#  42  LYS QG  45  GLN QB
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.14656, r4= 6.77376,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 642,643,
igr2= 692,693,
&end
#
#  42  LYS QG  45  GLN QG
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.77376, r4= 7.40096,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 642,643,
igr2= 695,696,
&end
#
#  42  LYS QG  45  GLN QE
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 7.5264, r4= 8.1536,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 642,643,
igr2= 700,701,
&end
#
#  42  LYS QD  45  GLN HA
 &rst iat= -1,690, r1= 0, r2= 0, r3= 6.16, r4= 6.72,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 645,646,
&end
#
#  42  LYS QD  45  GLN QB
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 4.01408, r4= 4.64128,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 645,646,
igr2= 692,693,
&end
#
#  42  LYS QD  45  GLN QG
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.77024, r4= 6.39744,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 645,646,
igr2= 695,696,
&end
#
#  42  LYS QD  45  GLN QE
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.6448, r4= 6.272,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 645,646,
igr2= 700,701,
&end
#
#  42  LYS QE  45  GLN HA
 &rst iat= -1,690, r1= 0, r2= 0, r3= 5.712, r4= 6.272,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 648,649,
&end
#
#  42  LYS QE  45  GLN QB
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.51936, r4= 6.14656,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 648,649,
igr2= 692,693,
&end
#
#  42  LYS QE  45  GLN QG
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.6448, r4= 6.272,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 648,649,
igr2= 695,696,
&end
#
#  42  LYS QE  45  GLN QE
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.77376, r4= 7.40096,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 648,649,
igr2= 700,701,
&end
#
#  43  LEU H  43  LEU QB
 &rst iat= 657, -1, r1= 0, r2= 0, r3= 4.368, r4= 4.928,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 661,662,
&end
#
#  43  LEU H  43  LEU QD
 &rst iat= 657, -1, r1= 0, r2= 0, r3= 5.4, r4= 6.075,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 666,667,668,670,671,672,
&end
#
#  43  LEU HA  43  LEU QD
 &rst iat= 659, -1, r1= 0, r2= 0, r3= 5.4, r4= 6.075,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 666,667,668,670,671,672,
&end
#
#  43  LEU QB  43  LEU QD
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.5944, r4= 6.3504,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 661,662,
igr2= 666,667,668,670,671,672,
&end
#
#  43  LEU H  44  ASP H
 &rst iat= 657,676, r1= 0, r2= 0, r3= 3.8, r4= 4.3,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  43  LEU H  44  ASP QB
 &rst iat= 657, -1, r1= 0, r2= 0, r3= 6.496, r4= 7.056,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 680,681,
&end
#
#  43  LEU HA  44  ASP HA
 &rst iat= 659,678, r1= 0, r2= 0, r3= 6, r4= 6.5,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  43  LEU QB  44  ASP H
 &rst iat= -1,676, r1= 0, r2= 0, r3= 5.04, r4= 5.6,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 661,662,
&end
#
#  43  LEU QB  44  ASP QB
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.02112, r4= 6.64832,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 661,662,
igr2= 680,681,
&end
#
#  43  LEU HG  44  ASP HA
 &rst iat= 664,678, r1= 0, r2= 0, r3= 5.4, r4= 5.9,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  43  LEU HG  44  ASP QB
 &rst iat= 664, -1, r1= 0, r2= 0, r3= 5.376, r4= 5.936,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 680,681,
&end
#
#  43  LEU QD  44  ASP H
 &rst iat= -1,676, r1= 0, r2= 0, r3= 6.615, r4= 7.29,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 666,667,668,670,671,672,
&end
#
#  43  LEU QD  44  ASP HA
 &rst iat= -1,678, r1= 0, r2= 0, r3= 8.1, r4= 8.775,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 666,667,668,670,671,672,
&end
#
#  43  LEU H  45  GLN H
 &rst iat= 657,688, r1= 0, r2= 0, r3= 4.7, r4= 5.2,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  43  LEU H  45  GLN QB
 &rst iat= 657, -1, r1= 0, r2= 0, r3= 6.72, r4= 7.28,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 692,693,
&end
#
#  43  LEU H  45  GLN QG
 &rst iat= 657, -1, r1= 0, r2= 0, r3= 6.72, r4= 7.28,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 695,696,
&end
#
#  43  LEU HA  45  GLN H
 &rst iat= 659,688, r1= 0, r2= 0, r3= 4.7, r4= 5.2,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  43  LEU QB  45  GLN H
 &rst iat= -1,688, r1= 0, r2= 0, r3= 6.16, r4= 6.72,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 661,662,
&end
#
#  43  LEU HG  45  GLN H
 &rst iat= 664,688, r1= 0, r2= 0, r3= 6, r4= 6.5,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  43  LEU QD  45  GLN H
 &rst iat= -1,688, r1= 0, r2= 0, r3= 7.425, r4= 8.1,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 666,667,668,670,671,672,
&end
#
#  43  LEU HA  96  TYR QD
 &rst iat= 659, -1, r1= 0, r2= 0, r3= 5.376, r4= 5.936,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1491,1500,
&end
#
#  43  LEU HA  96  TYR QE
 &rst iat= 659, -1, r1= 0, r2= 0, r3= 5.264, r4= 5.824,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1493,1498,
&end
#
#  43  LEU QD  96  TYR QD
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 8.7696, r4= 9.5256,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 666,667,668,670,671,672,
igr2= 1491,1500,
&end
#
#  43  LEU QD  96  TYR QE
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.3504, r4= 7.1064,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 666,667,668,670,671,672,
igr2= 1493,1498,
&end
#
#  44  ASP H  44  ASP QB
 &rst iat= 676, -1, r1= 0, r2= 0, r3= 4.032, r4= 4.592,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 680,681,
&end
#
#  44  ASP HA  44  ASP QB
 &rst iat= 678, -1, r1= 0, r2= 0, r3= 3.36, r4= 3.92,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 680,681,
&end
#
#  44  ASP H  45  GLN H
 &rst iat= 676,688, r1= 0, r2= 0, r3= 3.2, r4= 3.7,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  44  ASP H  45  GLN HA
 &rst iat= 676,690, r1= 0, r2= 0, r3= 4.8, r4= 5.3,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  44  ASP H  45  GLN QB
 &rst iat= 676, -1, r1= 0, r2= 0, r3= 5.488, r4= 6.048,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 692,693,
&end
#
#  44  ASP H  45  GLN QG
 &rst iat= 676, -1, r1= 0, r2= 0, r3= 6.16, r4= 6.72,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 695,696,
&end
#
#  44  ASP H  45  GLN QE
 &rst iat= 676, -1, r1= 0, r2= 0, r3= 6.72, r4= 7.28,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 700,701,
&end
#
#  44  ASP HA  45  GLN HA
 &rst iat= 678,690, r1= 0, r2= 0, r3= 5.1, r4= 5.6,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  44  ASP HA  45  GLN QB
 &rst iat= 678, -1, r1= 0, r2= 0, r3= 6.72, r4= 7.28,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 692,693,
&end
#
#  44  ASP HA  45  GLN QG
 &rst iat= 678, -1, r1= 0, r2= 0, r3= 6.496, r4= 7.056,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 695,696,
&end
#
#  44  ASP QB  45  GLN H
 &rst iat= -1,688, r1= 0, r2= 0, r3= 5.04, r4= 5.6,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 680,681,
&end
#
#  44  ASP QB  45  GLN QG
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.14656, r4= 6.77376,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 680,681,
igr2= 695,696,
&end
#
#  44  ASP HA  46  PRO QD
 &rst iat= 678, -1, r1= 0, r2= 0, r3= 5.824, r4= 6.384,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 706,707,
&end
#
#  44  ASP HA  96  TYR QE
 &rst iat= 678, -1, r1= 0, r2= 0, r3= 5.824, r4= 6.384,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1493,1498,
&end
#
#  45  GLN H  45  GLN QB
 &rst iat= 688, -1, r1= 0, r2= 0, r3= 4.032, r4= 4.592,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 692,693,
&end
#
#  45  GLN H  45  GLN QG
 &rst iat= 688, -1, r1= 0, r2= 0, r3= 4.368, r4= 4.928,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 695,696,
&end
#
#  45  GLN HA  45  GLN QG
 &rst iat= 690, -1, r1= 0, r2= 0, r3= 3.696, r4= 4.256,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 695,696,
&end
#
#  45  GLN HA  45  GLN QE
 &rst iat= 690, -1, r1= 0, r2= 0, r3= 6.384, r4= 6.944,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 700,701,
&end
#
#  45  GLN QB  45  GLN QE
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 7.02464, r4= 7.65184,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 692,693,
igr2= 700,701,
&end
#
#  45  GLN QG  45  GLN QE
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.14304, r4= 5.77024,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 695,696,
igr2= 700,701,
&end
#
#  45  GLN H  46  PRO HA
 &rst iat= 688,715, r1= 0, r2= 0, r3= 5.7, r4= 6.2,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  45  GLN H  46  PRO QD
 &rst iat= 688, -1, r1= 0, r2= 0, r3= 4.592, r4= 5.152,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 706,707,
&end
#
#  45  GLN HA  46  PRO HA
 &rst iat= 690,715, r1= 0, r2= 0, r3= 4.8, r4= 5.3,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  45  GLN HA  46  PRO QB
 &rst iat= 690, -1, r1= 0, r2= 0, r3= 5.488, r4= 6.048,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 712,713,
&end
#
#  45  GLN HA  46  PRO QG
 &rst iat= 690, -1, r1= 0, r2= 0, r3= 5.152, r4= 5.712,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 709,710,
&end
#
#  45  GLN HA  46  PRO QD
 &rst iat= 690, -1, r1= 0, r2= 0, r3= 3.584, r4= 4.144,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 706,707,
&end
#
#  45  GLN QB  46  PRO QD
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.02112, r4= 6.64832,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 692,693,
igr2= 706,707,
&end
#
#  45  GLN QG  46  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= 695,696,
igr2= 706,707,
&end
#
#  46  PRO HA  47  ASP HA
 &rst iat= 715,721, r1= 0, r2= 0, r3= 4.8, r4= 5.3,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  46  PRO HA  47  ASP QB
 &rst iat= 715, -1, r1= 0, r2= 0, r3= 4.928, r4= 5.488,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 723,724,
&end
#
#  46  PRO QB  47  ASP H
 &rst iat= -1,719, r1= 0, r2= 0, r3= 4.592, r4= 5.152,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 712,713,
&end
#
#  46  PRO HA  48  TRP H
 &rst iat= 715,731, r1= 0, r2= 0, r3= 4.1, r4= 4.6,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  46  PRO QB  48  TRP H
 &rst iat= -1,731, r1= 0, r2= 0, r3= 4.48, r4= 5.04,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 712,713,
&end
#
#  46  PRO QB  49  THR H
 &rst iat= -1,755, r1= 0, r2= 0, r3= 6.272, r4= 6.832,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 712,713,
&end
#
#  46  PRO QB  49  THR HB
 &rst iat= -1,759, r1= 0, r2= 0, r3= 5.6, r4= 6.16,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 712,713,
&end
#
#  46  PRO QB  49  THR QG2
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.2416, r4= 5.9136,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 712,713,
igr2= 761,762,763,
&end
#
#  46  PRO QG  49  THR QG2
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.7792, r4= 6.4512,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 709,710,
igr2= 761,762,763,
&end
#
#  46  PRO QD  49  THR QG2
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 7.1232, r4= 7.7952,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 706,707,
igr2= 761,762,763,
&end
#
#  47  ASP H  47  ASP QB
 &rst iat= 719, -1, r1= 0, r2= 0, r3= 4.368, r4= 4.928,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 723,724,
&end
#
#  47  ASP H  48  TRP H
 &rst iat= 719,731, r1= 0, r2= 0, r3= 3.6, r4= 4.1,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  47  ASP H  48  TRP HA
 &rst iat= 719,733, r1= 0, r2= 0, r3= 4.8, r4= 5.3,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  47  ASP H  48  TRP QB
 &rst iat= 719, -1, r1= 0, r2= 0, r3= 6.608, r4= 7.168,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 735,736,
&end
#
#  47  ASP HA  48  TRP HA
 &rst iat= 721,733, r1= 0, r2= 0, r3= 4.6, r4= 5.1,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  47  ASP QB  48  TRP H
 &rst iat= -1,731, r1= 0, r2= 0, r3= 4.816, r4= 5.376,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 723,724,
&end
#
#  47  ASP HA  49  THR QG2
 &rst iat= 721, -1, r1= 0, r2= 0, r3= 6.84, r4= 7.44,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 761,762,763,
&end
#
#  48  TRP H  48  TRP HD1
 &rst iat= 731,739, r1= 0, r2= 0, r3= 6, r4= 6.5,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  48  TRP H  48  TRP HE3
 &rst iat= 731,750, r1= 0, r2= 0, r3= 5.7, r4= 6.2,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  48  TRP HA  48  TRP HD1
 &rst iat= 733,739, r1= 0, r2= 0, r3= 3.6, r4= 4.1,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  48  TRP HA  48  TRP HE3
 &rst iat= 733,750, r1= 0, r2= 0, r3= 4.9, r4= 5.4,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  48  TRP QB  48  TRP HD1
 &rst iat= -1,739, r1= 0, r2= 0, r3= 3.92, r4= 4.48,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 735,736,
&end
#
#  48  TRP QB  48  TRP HE3
 &rst iat= -1,750, r1= 0, r2= 0, r3= 4.48, r4= 5.04,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 735,736,
&end
#
#  48  TRP QB  48  TRP HZ3
 &rst iat= -1,748, r1= 0, r2= 0, r3= 6.048, r4= 6.608,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 735,736,
&end
#
#  48  TRP H  49  THR H
 &rst iat= 731,755, r1= 0, r2= 0, r3= 4.6, r4= 5.1,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  48  TRP H  49  THR HA
 &rst iat= 731,757, r1= 0, r2= 0, r3= 6, r4= 6.5,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  48  TRP H  49  THR QG2
 &rst iat= 731, -1, r1= 0, r2= 0, r3= 5.88, r4= 6.48,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 761,762,763,
&end
#
#  48  TRP HA  49  THR H
 &rst iat= 733,755, r1= 0, r2= 0, r3= 3, r4= 3.5,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  48  TRP HA  49  THR QG2
 &rst iat= 733, -1, r1= 0, r2= 0, r3= 5.64, r4= 6.24,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 761,762,763,
&end
#
#  48  TRP QB  49  THR H
 &rst iat= -1,755, r1= 0, r2= 0, r3= 4.704, r4= 5.264,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 735,736,
&end
#
#  48  TRP QB  49  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= 735,736,
igr2= 761,762,763,
&end
#
#  48  TRP HD1  49  THR H
 &rst iat= 739,755, r1= 0, r2= 0, r3= 4.6, r4= 5.1,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  48  TRP HE1  49  THR H
 &rst iat= 741,755, r1= 0, r2= 0, r3= 5.8, r4= 6.3,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  48  TRP HE3  49  THR HA
 &rst iat= 750,757, r1= 0, r2= 0, r3= 4.3, r4= 4.8,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  48  TRP HZ2  49  THR H
 &rst iat= 744,755, r1= 0, r2= 0, r3= 5.9, r4= 6.4,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  48  TRP HZ3  49  THR HA
 &rst iat= 748,757, r1= 0, r2= 0, r3= 5, r4= 5.5,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  48  TRP HZ3  49  THR QG2
 &rst iat= 748, -1, r1= 0, r2= 0, r3= 7.2, r4= 7.8,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 761,762,763,
&end
#
#  48  TRP HE3  50  GLY H
 &rst iat= 750,769, r1= 0, r2= 0, r3= 5, r4= 5.5,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  48  TRP HZ3  50  GLY H
 &rst iat= 748,769, r1= 0, r2= 0, r3= 5.2, r4= 5.7,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  48  TRP HZ2  50  GLY QA
 &rst iat= 744, -1, r1= 0, r2= 0, r3= 5.152, r4= 5.712,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 771,772,
&end
#
#  48  TRP HH2  50  GLY QA
 &rst iat= 746, -1, r1= 0, r2= 0, r3= 5.04, r4= 5.6,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 771,772,
&end
#
#  48  TRP HZ2  51  ARG H
 &rst iat= 744,776, r1= 0, r2= 0, r3= 4.1, r4= 4.6,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  48  TRP HZ3  51  ARG H
 &rst iat= 748,776, r1= 0, r2= 0, r3= 5.8, r4= 6.3,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  48  TRP HZ2  51  ARG QB
 &rst iat= 744, -1, r1= 0, r2= 0, r3= 6.72, r4= 7.28,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 780,781,
&end
#
#  48  TRP HH2  51  ARG H
 &rst iat= 746,776, r1= 0, r2= 0, r3= 4.5, r4= 5,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  48  TRP HH2  51  ARG QB
 &rst iat= 746, -1, r1= 0, r2= 0, r3= 6.16, r4= 6.72,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 780,781,
&end
#
#  48  TRP HE1  65  LEU QD
 &rst iat= 741, -1, r1= 0, r2= 0, r3= 8.1, r4= 8.775,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1033,1034,1035,1037,1038,1039,
&end
#
#  48  TRP HE3  65  LEU QD
 &rst iat= 750, -1, r1= 0, r2= 0, r3= 5.94, r4= 6.615,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1033,1034,1035,1037,1038,1039,
&end
#
#  48  TRP HZ2  65  LEU QB
 &rst iat= 744, -1, r1= 0, r2= 0, r3= 5.376, r4= 5.936,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1028,1029,
&end
#
#  48  TRP HZ3  65  LEU QB
 &rst iat= 748, -1, r1= 0, r2= 0, r3= 5.264, r4= 5.824,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1028,1029,
&end
#
#  48  TRP HZ3  65  LEU HG
 &rst iat= 748,1031, r1= 0, r2= 0, r3= 5.6, r4= 6.1,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  48  TRP HZ2  65  LEU QD
 &rst iat= 744, -1, r1= 0, r2= 0, r3= 6.21, r4= 6.885,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1033,1034,1035,1037,1038,1039,
&end
#
#  48  TRP HZ3  65  LEU QD
 &rst iat= 748, -1, r1= 0, r2= 0, r3= 5.4, r4= 6.075,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1033,1034,1035,1037,1038,1039,
&end
#
#  48  TRP HH2  65  LEU HA
 &rst iat= 746,1026, r1= 0, r2= 0, r3= 5, r4= 5.5,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  48  TRP HH2  65  LEU QB
 &rst iat= 746, -1, r1= 0, r2= 0, r3= 5.264, r4= 5.824,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1028,1029,
&end
#
#  48  TRP HH2  65  LEU HG
 &rst iat= 746,1031, r1= 0, r2= 0, r3= 5.4, r4= 5.9,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  48  TRP HH2  65  LEU QD
 &rst iat= 746, -1, r1= 0, r2= 0, r3= 5.67, r4= 6.345,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1033,1034,1035,1037,1038,1039,
&end
#
#  48  TRP HZ2  66  GLU H
 &rst iat= 744,1043, r1= 0, r2= 0, r3= 5.1, r4= 5.6,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  48  TRP HZ3  66  GLU H
 &rst iat= 748,1043, r1= 0, r2= 0, r3= 5.4, r4= 5.9,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  48  TRP HZ2  66  GLU HA
 &rst iat= 744,1045, r1= 0, r2= 0, r3= 4.7, r4= 5.2,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  48  TRP HZ2  66  GLU QB
 &rst iat= 744, -1, r1= 0, r2= 0, r3= 6.608, r4= 7.168,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1047,1048,
&end
#
#  48  TRP HH2  66  GLU H
 &rst iat= 746,1043, r1= 0, r2= 0, r3= 4.4, r4= 4.9,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  48  TRP HH2  66  GLU HA
 &rst iat= 746,1045, r1= 0, r2= 0, r3= 5.1, r4= 5.6,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  48  TRP HE1  67  ASP H
 &rst iat= 741,1058, r1= 0, r2= 0, r3= 6, r4= 6.5,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  48  TRP HE1  67  ASP HA
 &rst iat= 741,1060, r1= 0, r2= 0, r3= 5.6, r4= 6.1,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  48  TRP HE1  67  ASP QB
 &rst iat= 741, -1, r1= 0, r2= 0, r3= 5.712, r4= 6.272,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1062,1063,
&end
#
#  48  TRP HZ2  67  ASP H
 &rst iat= 744,1058, r1= 0, r2= 0, r3= 4.9, r4= 5.4,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  48  TRP HZ2  67  ASP HA
 &rst iat= 744,1060, r1= 0, r2= 0, r3= 4.1, r4= 4.6,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  48  TRP HZ2  67  ASP QB
 &rst iat= 744, -1, r1= 0, r2= 0, r3= 5.6, r4= 6.16,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1062,1063,
&end
#
#  48  TRP HH2  67  ASP HA
 &rst iat= 746,1060, r1= 0, r2= 0, r3= 5.2, r4= 5.7,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  48  TRP HZ2  68  LYS H
 &rst iat= 744,1070, r1= 0, r2= 0, r3= 4.9, r4= 5.4,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  48  TRP HZ2  68  LYS QB
 &rst iat= 744, -1, r1= 0, r2= 0, r3= 6.72, r4= 7.28,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1074,1075,
&end
#
#  48  TRP HH2  68  LYS H
 &rst iat= 746,1070, r1= 0, r2= 0, r3= 6, r4= 6.5,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  48  TRP H  74  PHE QE
 &rst iat= 731, -1, r1= 0, r2= 0, r3= 6.72, r4= 7.28,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1170,1174,
&end
#
#  48  TRP QB  74  PHE QD
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.02112, r4= 6.64832,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 735,736,
igr2= 1168,1176,
&end
#
#  48  TRP QB  74  PHE QE
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.39392, r4= 6.02112,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 735,736,
igr2= 1170,1174,
&end
#
#  48  TRP QB  74  PHE HZ
 &rst iat= -1,1172, r1= 0, r2= 0, r3= 5.376, r4= 5.936,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 735,736,
&end
#
#  48  TRP HD1  74  PHE QB
 &rst iat= 739, -1, r1= 0, r2= 0, r3= 5.488, r4= 6.048,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1164,1165,
&end
#
#  48  TRP HD1  74  PHE QD
 &rst iat= 739, -1, r1= 0, r2= 0, r3= 4.928, r4= 5.488,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1168,1176,
&end
#
#  48  TRP HD1  74  PHE QE
 &rst iat= 739, -1, r1= 0, r2= 0, r3= 4.48, r4= 5.04,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1170,1174,
&end
#
#  48  TRP HD1  74  PHE HZ
 &rst iat= 739,1172, r1= 0, r2= 0, r3= 5.2, r4= 5.7,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  48  TRP HE1  74  PHE HA
 &rst iat= 741,1162, r1= 0, r2= 0, r3= 4.9, r4= 5.4,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  48  TRP HE1  74  PHE QB
 &rst iat= 741, -1, r1= 0, r2= 0, r3= 5.152, r4= 5.712,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1164,1165,
&end
#
#  48  TRP HE1  74  PHE QD
 &rst iat= 741, -1, r1= 0, r2= 0, r3= 5.04, r4= 5.6,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1168,1176,
&end
#
#  48  TRP HE1  74  PHE QE
 &rst iat= 741, -1, r1= 0, r2= 0, r3= 6.608, r4= 7.168,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1170,1174,
&end
#
#  48  TRP HE3  74  PHE QE
 &rst iat= 750, -1, r1= 0, r2= 0, r3= 3.696, r4= 4.256,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1170,1174,
&end
#
#  48  TRP HZ2  74  PHE H
 &rst iat= 744,1160, r1= 0, r2= 0, r3= 6, r4= 6.5,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  48  TRP HZ2  74  PHE HA
 &rst iat= 744,1162, r1= 0, r2= 0, r3= 5.2, r4= 5.7,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  48  TRP HZ2  74  PHE QB
 &rst iat= 744, -1, r1= 0, r2= 0, r3= 5.04, r4= 5.6,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1164,1165,
&end
#
#  48  TRP HZ2  74  PHE QD
 &rst iat= 744, -1, r1= 0, r2= 0, r3= 4.704, r4= 5.264,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1168,1176,
&end
#
#  48  TRP HZ3  74  PHE QD
 &rst iat= 748, -1, r1= 0, r2= 0, r3= 5.04, r4= 5.6,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1168,1176,
&end
#
#  48  TRP HZ3  74  PHE QE
 &rst iat= 748, -1, r1= 0, r2= 0, r3= 5.04, r4= 5.6,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1170,1174,
&end
#
#  48  TRP HH2  74  PHE QB
 &rst iat= 746, -1, r1= 0, r2= 0, r3= 5.04, r4= 5.6,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1164,1165,
&end
#
#  48  TRP HH2  74  PHE QD
 &rst iat= 746, -1, r1= 0, r2= 0, r3= 5.04, r4= 5.6,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1168,1176,
&end
#
#  49  THR H  49  THR HB
 &rst iat= 755,759, r1= 0, r2= 0, r3= 3.8, r4= 4.3,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  49  THR H  49  THR QG2
 &rst iat= 755, -1, r1= 0, r2= 0, r3= 4.56, r4= 5.16,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 761,762,763,
&end
#
#  49  THR HA  49  THR QG2
 &rst iat= 757, -1, r1= 0, r2= 0, r3= 4.08, r4= 4.68,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 761,762,763,
&end
#
#  49  THR H  50  GLY H
 &rst iat= 755,769, r1= 0, r2= 0, r3= 4.8, r4= 5.3,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  49  THR H  50  GLY QA
 &rst iat= 755, -1, r1= 0, r2= 0, r3= 6.72, r4= 7.28,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 771,772,
&end
#
#  49  THR HA  50  GLY H
 &rst iat= 757,769, r1= 0, r2= 0, r3= 3.5, r4= 4,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  49  THR HB  50  GLY H
 &rst iat= 759,769, r1= 0, r2= 0, r3= 3.5, r4= 4,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  49  THR HB  50  GLY QA
 &rst iat= 759, -1, r1= 0, r2= 0, r3= 5.264, r4= 5.824,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 771,772,
&end
#
#  49  THR QG2  50  GLY H
 &rst iat= -1,769, r1= 0, r2= 0, r3= 4.92, r4= 5.52,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 761,762,763,
&end
#
#  49  THR QG2  50  GLY QA
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 7.6608, r4= 8.3328,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 761,762,763,
igr2= 771,772,
&end
#
#  49  THR HA  51  ARG H
 &rst iat= 757,776, r1= 0, r2= 0, r3= 5.6, r4= 6.1,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  49  THR HA  65  LEU QD
 &rst iat= 757, -1, r1= 0, r2= 0, r3= 7.695, r4= 8.37,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1033,1034,1035,1037,1038,1039,
&end
#
#  49  THR HB  68  LYS QD
 &rst iat= 759, -1, r1= 0, r2= 0, r3= 6.72, r4= 7.28,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1080,1081,
&end
#
#  50  GLY H  51  ARG H
 &rst iat= 769,776, r1= 0, r2= 0, r3= 4.5, r4= 5,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  50  GLY H  51  ARG HA
 &rst iat= 769,778, r1= 0, r2= 0, r3= 5.4, r4= 5.9,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  50  GLY QA  51  ARG QB
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.02112, r4= 6.64832,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 771,772,
igr2= 780,781,
&end
#
#  50  GLY H  65  LEU QD
 &rst iat= 769, -1, r1= 0, r2= 0, r3= 7.965, r4= 8.64,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1033,1034,1035,1037,1038,1039,
&end
#
#  50  GLY QA  66  GLU H
 &rst iat= -1,1043, r1= 0, r2= 0, r3= 6.384, r4= 6.944,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 771,772,
&end
#
#  50  GLY QA  67  ASP HA
 &rst iat= -1,1060, r1= 0, r2= 0, r3= 5.824, r4= 6.384,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 771,772,
&end
#
#  50  GLY H  68  LYS H
 &rst iat= 769,1070, r1= 0, r2= 0, r3= 6, r4= 6.5,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  50  GLY H  68  LYS QB
 &rst iat= 769, -1, r1= 0, r2= 0, r3= 6.384, r4= 6.944,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1074,1075,
&end
#
#  50  GLY H  68  LYS QD
 &rst iat= 769, -1, r1= 0, r2= 0, r3= 6.72, r4= 7.28,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1080,1081,
&end
#
#  50  GLY H  68  LYS QE
 &rst iat= 769, -1, r1= 0, r2= 0, r3= 5.936, r4= 6.496,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1083,1084,
&end
#
#  50  GLY QA  68  LYS H
 &rst iat= -1,1070, r1= 0, r2= 0, r3= 5.04, r4= 5.6,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 771,772,
&end
#
#  50  GLY QA  68  LYS HA
 &rst iat= -1,1072, r1= 0, r2= 0, r3= 5.824, r4= 6.384,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 771,772,
&end
#
#  50  GLY QA  68  LYS QB
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.6448, r4= 6.272,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 771,772,
igr2= 1074,1075,
&end
#
#  50  GLY QA  68  LYS QG
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.77024, r4= 6.39744,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 771,772,
igr2= 1077,1078,
&end
#
#  50  GLY QA  68  LYS QD
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.14656, r4= 6.77376,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 771,772,
igr2= 1080,1081,
&end
#
#  50  GLY QA  68  LYS QE
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.14656, r4= 6.77376,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 771,772,
igr2= 1083,1084,
&end
#
#  50  GLY QA  69  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= 771,772,
igr2= 1098,1099,1100,1102,1103,1104,
&end
#
#  51  ARG H  51  ARG QG
 &rst iat= 776, -1, r1= 0, r2= 0, r3= 5.152, r4= 5.712,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 783,784,
&end
#
#  51  ARG H  51  ARG QD
 &rst iat= 776, -1, r1= 0, r2= 0, r3= 5.824, r4= 6.384,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 786,787,
&end
#
#  51  ARG HA  51  ARG QD
 &rst iat= 778, -1, r1= 0, r2= 0, r3= 5.488, r4= 6.048,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 786,787,
&end
#
#  51  ARG QB  51  ARG QD
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.0176, r4= 5.6448,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 780,781,
igr2= 786,787,
&end
#
#  51  ARG H  52  LEU H
 &rst iat= 776,800, r1= 0, r2= 0, r3= 5.4, r4= 5.9,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  51  ARG HA  52  LEU H
 &rst iat= 778,800, r1= 0, r2= 0, r3= 3.3, r4= 3.8,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  51  ARG HA  52  LEU QB
 &rst iat= 778, -1, r1= 0, r2= 0, r3= 5.936, r4= 6.496,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 804,805,
&end
#
#  51  ARG QB  52  LEU H
 &rst iat= -1,800, r1= 0, r2= 0, r3= 4.48, r4= 5.04,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 780,781,
&end
#
#  51  ARG QB  52  LEU QB
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 7.40096, r4= 8.02816,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 780,781,
igr2= 804,805,
&end
#
#  51  ARG QG  52  LEU H
 &rst iat= -1,800, r1= 0, r2= 0, r3= 4.816, r4= 5.376,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 783,784,
&end
#
#  51  ARG QD  52  LEU H
 &rst iat= -1,800, r1= 0, r2= 0, r3= 5.376, r4= 5.936,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 786,787,
&end
#
#  51  ARG H  65  LEU HA
 &rst iat= 776,1026, r1= 0, r2= 0, r3= 5.5, r4= 6,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  51  ARG H  65  LEU QD
 &rst iat= 776, -1, r1= 0, r2= 0, r3= 7.56, r4= 8.235,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1033,1034,1035,1037,1038,1039,
&end
#
#  51  ARG QB  65  LEU QD
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 9.072, r4= 9.828,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 780,781,
igr2= 1033,1034,1035,1037,1038,1039,
&end
#
#  51  ARG H  66  GLU H
 &rst iat= 776,1043, r1= 0, r2= 0, r3= 4.9, r4= 5.4,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  51  ARG QB  66  GLU H
 &rst iat= -1,1043, r1= 0, r2= 0, r3= 5.04, r4= 5.6,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 780,781,
&end
#
#  51  ARG H  67  ASP HA
 &rst iat= 776,1060, r1= 0, r2= 0, r3= 5.1, r4= 5.6,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  51  ARG H  67  ASP QB
 &rst iat= 776, -1, r1= 0, r2= 0, r3= 6.72, r4= 7.28,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1062,1063,
&end
#
#  51  ARG H  68  LYS QE
 &rst iat= 776, -1, r1= 0, r2= 0, r3= 6.048, r4= 6.608,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1083,1084,
&end
#
#  51  ARG HA  68  LYS QE
 &rst iat= 778, -1, r1= 0, r2= 0, r3= 5.04, r4= 5.6,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1083,1084,
&end
#
#  51  ARG QB  68  LYS H
 &rst iat= -1,1070, r1= 0, r2= 0, r3= 6.72, r4= 7.28,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 780,781,
&end
#
#  51  ARG QB  68  LYS HA
 &rst iat= -1,1072, r1= 0, r2= 0, r3= 3.696, r4= 4.256,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 780,781,
&end
#
#  51  ARG QG  68  LYS HA
 &rst iat= -1,1072, r1= 0, r2= 0, r3= 5.488, r4= 6.048,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 783,784,
&end
#
#  51  ARG QD  68  LYS HA
 &rst iat= -1,1072, r1= 0, r2= 0, r3= 4.704, r4= 5.264,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 786,787,
&end
#
#  52  LEU H  52  LEU QB
 &rst iat= 800, -1, r1= 0, r2= 0, r3= 4.704, r4= 5.264,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 804,805,
&end
#
#  52  LEU H  52  LEU QD
 &rst iat= 800, -1, r1= 0, r2= 0, r3= 6.345, r4= 7.02,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 809,810,811,813,814,815,
&end
#
#  52  LEU HA  52  LEU HG
 &rst iat= 802,807, r1= 0, r2= 0, r3= 4.1, r4= 4.6,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  52  LEU HA  52  LEU QD
 &rst iat= 802, -1, r1= 0, r2= 0, r3= 6.075, r4= 6.75,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 809,810,811,813,814,815,
&end
#
#  52  LEU QB  52  LEU QD
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.292, r4= 6.048,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 804,805,
igr2= 809,810,811,813,814,815,
&end
#
#  52  LEU H  53  ARG H
 &rst iat= 800,819, r1= 0, r2= 0, r3= 5, r4= 5.5,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  52  LEU QB  53  ARG H
 &rst iat= -1,819, r1= 0, r2= 0, r3= 4.48, r4= 5.04,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 804,805,
&end
#
#  52  LEU HG  53  ARG H
 &rst iat= 807,819, r1= 0, r2= 0, r3= 3.9, r4= 4.4,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  52  LEU HG  53  ARG HA
 &rst iat= 807,821, r1= 0, r2= 0, r3= 4.2, r4= 4.7,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  52  LEU QD  53  ARG H
 &rst iat= -1,819, r1= 0, r2= 0, r3= 5.94, r4= 6.615,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 809,810,811,813,814,815,
&end
#
#  52  LEU QD  53  ARG HA
 &rst iat= -1,821, r1= 0, r2= 0, r3= 7.56, r4= 8.235,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 809,810,811,813,814,815,
&end
#
#  52  LEU QD  53  ARG QB
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 9.072, r4= 9.828,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 809,810,811,813,814,815,
igr2= 823,824,
&end
#
#  52  LEU HG  54  ILE H
 &rst iat= 807,843, r1= 0, r2= 0, r3= 5.2, r4= 5.7,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  52  LEU HG  54  ILE HA
 &rst iat= 807,845, r1= 0, r2= 0, r3= 4.9, r4= 5.4,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  52  LEU HG  54  ILE QD1
 &rst iat= 807, -1, r1= 0, r2= 0, r3= 5.64, r4= 6.24,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 856,857,858,
&end
#
#  52  LEU QD  54  ILE H
 &rst iat= -1,843, r1= 0, r2= 0, r3= 6.075, r4= 6.75,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 809,810,811,813,814,815,
&end
#
#  52  LEU QD  54  ILE QG1
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.804, r4= 7.56,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 809,810,811,813,814,815,
igr2= 853,854,
&end
#
#  52  LEU QD  54  ILE QD1
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.48, r4= 7.29,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 809,810,811,813,814,815,
igr2= 856,857,858,
&end
#
#  52  LEU HA  63  ILE QG2
 &rst iat= 802, -1, r1= 0, r2= 0, r3= 7.2, r4= 7.8,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 989,990,991,
&end
#
#  52  LEU HG  63  ILE HA
 &rst iat= 807,985, r1= 0, r2= 0, r3= 5.2, r4= 5.7,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  52  LEU HG  63  ILE QD1
 &rst iat= 807, -1, r1= 0, r2= 0, r3= 6.24, r4= 6.84,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 996,997,998,
&end
#
#  52  LEU QD  63  ILE HA
 &rst iat= -1,985, r1= 0, r2= 0, r3= 6.75, r4= 7.425,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 809,810,811,813,814,815,
&end
#
#  52  LEU QD  63  ILE QG2
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.508, r4= 6.318,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 809,810,811,813,814,815,
igr2= 989,990,991,
&end
#
#  52  LEU HG  64  LYS H
 &rst iat= 807,1002, r1= 0, r2= 0, r3= 6, r4= 6.5,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  52  LEU QD  64  LYS H
 &rst iat= -1,1002, r1= 0, r2= 0, r3= 7.695, r4= 8.37,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 809,810,811,813,814,815,
&end
#
#  52  LEU HA  65  LEU HA
 &rst iat= 802,1026, r1= 0, r2= 0, r3= 4.4, r4= 4.9,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  52  LEU HA  65  LEU HG
 &rst iat= 802,1031, r1= 0, r2= 0, r3= 4.9, r4= 5.4,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  52  LEU HA  65  LEU QD
 &rst iat= 802, -1, r1= 0, r2= 0, r3= 5.4, r4= 6.075,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1033,1034,1035,1037,1038,1039,
&end
#
#  52  LEU QB  65  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= 804,805,
igr2= 1033,1034,1035,1037,1038,1039,
&end
#
#  52  LEU HG  65  LEU HA
 &rst iat= 807,1026, r1= 0, r2= 0, r3= 5.3, r4= 5.8,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  52  LEU HG  65  LEU QD
 &rst iat= 807, -1, r1= 0, r2= 0, r3= 5.67, r4= 6.345,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1033,1034,1035,1037,1038,1039,
&end
#
#  52  LEU QD  65  LEU HA
 &rst iat= -1,1026, r1= 0, r2= 0, r3= 8.1, r4= 8.775,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 809,810,811,813,814,815,
&end
#
#  52  LEU QD  65  LEU QB
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 8.0136, r4= 8.7696,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 809,810,811,813,814,815,
igr2= 1028,1029,
&end
#
#  52  LEU QD  65  LEU HG
 &rst iat= -1,1031, r1= 0, r2= 0, r3= 7.155, r4= 7.83,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 809,810,811,813,814,815,
&end
#
#  52  LEU QD  65  LEU QD
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 8.019, r4= 8.93025,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 809,810,811,813,814,815,
igr2= 1033,1034,1035,1037,1038,1039,
&end
#
#  52  LEU HA  66  GLU H
 &rst iat= 802,1043, r1= 0, r2= 0, r3= 5.5, r4= 6,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  52  LEU QD  113  ILE QD1
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.48, r4= 7.29,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 809,810,811,813,814,815,
igr2= 1763,1764,1765,
&end
#
#  52  LEU H  115  PHE QE
 &rst iat= 800, -1, r1= 0, r2= 0, r3= 6.72, r4= 7.28,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1786,1790,
&end
#
#  52  LEU QB  115  PHE HZ
 &rst iat= -1,1788, r1= 0, r2= 0, r3= 5.6, r4= 6.16,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 804,805,
&end
#
#  52  LEU QD  115  PHE QD
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 8.316, r4= 9.072,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 809,810,811,813,814,815,
igr2= 1784,1792,
&end
#
#  52  LEU QD  115  PHE QE
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.1992, r4= 6.9552,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 809,810,811,813,814,815,
igr2= 1786,1790,
&end
#
#  52  LEU QD  115  PHE HZ
 &rst iat= -1,1788, r1= 0, r2= 0, r3= 5.805, r4= 6.48,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 809,810,811,813,814,815,
&end
#
#  52  LEU QB  124  PHE QD
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 7.5264, r4= 8.1536,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 804,805,
igr2= 1915,1923,
&end
#
#  52  LEU HG  124  PHE QD
 &rst iat= 807, -1, r1= 0, r2= 0, r3= 5.712, r4= 6.272,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1915,1923,
&end
#
#  52  LEU QD  124  PHE H
 &rst iat= -1,1907, r1= 0, r2= 0, r3= 7.425, r4= 8.1,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 809,810,811,813,814,815,
&end
#
#  52  LEU QD  124  PHE HA
 &rst iat= -1,1909, r1= 0, r2= 0, r3= 7.29, r4= 7.965,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 809,810,811,813,814,815,
&end
#
#  52  LEU QD  124  PHE QB
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 8.316, r4= 9.072,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 809,810,811,813,814,815,
igr2= 1911,1912,
&end
#
#  52  LEU QD  124  PHE QD
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.1408, r4= 5.8968,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 809,810,811,813,814,815,
igr2= 1915,1923,
&end
#
#  52  LEU QD  124  PHE QE
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.4432, r4= 6.1992,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 809,810,811,813,814,815,
igr2= 1917,1921,
&end
#
#  53  ARG H  53  ARG QD
 &rst iat= 819, -1, r1= 0, r2= 0, r3= 6.608, r4= 7.168,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 829,830,
&end
#
#  53  ARG HA  53  ARG QD
 &rst iat= 821, -1, r1= 0, r2= 0, r3= 5.712, r4= 6.272,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 829,830,
&end
#
#  53  ARG HA  53  ARG HE
 &rst iat= 821,832, r1= 0, r2= 0, r3= 4.9, r4= 5.4,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  53  ARG QB  53  ARG QD
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.26848, r4= 5.89568,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 823,824,
igr2= 829,830,
&end
#
#  53  ARG QB  53  ARG HE
 &rst iat= -1,832, r1= 0, r2= 0, r3= 5.6, r4= 6.16,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 823,824,
&end
#
#  53  ARG H  54  ILE H
 &rst iat= 819,843, r1= 0, r2= 0, r3= 5.6, r4= 6.1,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  53  ARG H  54  ILE QG1
 &rst iat= 819, -1, r1= 0, r2= 0, r3= 5.824, r4= 6.384,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 853,854,
&end
#
#  53  ARG H  54  ILE QD1
 &rst iat= 819, -1, r1= 0, r2= 0, r3= 7.2, r4= 7.8,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 856,857,858,
&end
#
#  53  ARG HA  54  ILE HA
 &rst iat= 821,845, r1= 0, r2= 0, r3= 5, r4= 5.5,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  53  ARG HA  54  ILE QG2
 &rst iat= 821, -1, r1= 0, r2= 0, r3= 7.2, r4= 7.8,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 849,850,851,
&end
#
#  53  ARG HA  54  ILE QD1
 &rst iat= 821, -1, r1= 0, r2= 0, r3= 6.6, r4= 7.2,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 856,857,858,
&end
#
#  53  ARG QB  54  ILE H
 &rst iat= -1,843, r1= 0, r2= 0, r3= 5.488, r4= 6.048,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 823,824,
&end
#
#  53  ARG QD  54  ILE H
 &rst iat= -1,843, r1= 0, r2= 0, r3= 6.272, r4= 6.832,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 829,830,
&end
#
#  53  ARG QB  55  THR QG2
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.3168, r4= 6.9888,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 823,824,
igr2= 868,869,870,
&end
#
#  53  ARG QD  55  THR QG2
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.9888, r4= 7.6608,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 829,830,
igr2= 868,869,870,
&end
#
#  53  ARG H  63  ILE QG2
 &rst iat= 819, -1, r1= 0, r2= 0, r3= 6, r4= 6.6,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 989,990,991,
&end
#
#  53  ARG H  64  LYS H
 &rst iat= 819,1002, r1= 0, r2= 0, r3= 4.7, r4= 5.2,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  53  ARG H  64  LYS HA
 &rst iat= 819,1004, r1= 0, r2= 0, r3= 6, r4= 6.5,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  53  ARG QG  64  LYS QB
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.39744, r4= 7.02464,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 826,827,
igr2= 1006,1007,
&end
#
#  53  ARG H  65  LEU H
 &rst iat= 819,1024, r1= 0, r2= 0, r3= 5.9, r4= 6.4,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  53  ARG H  65  LEU HA
 &rst iat= 819,1026, r1= 0, r2= 0, r3= 5.7, r4= 6.2,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  53  ARG H  65  LEU QD
 &rst iat= 819, -1, r1= 0, r2= 0, r3= 6.21, r4= 6.885,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1033,1034,1035,1037,1038,1039,
&end
#
#  53  ARG QB  65  LEU HA
 &rst iat= -1,1026, r1= 0, r2= 0, r3= 5.824, r4= 6.384,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 823,824,
&end
#
#  53  ARG H  66  GLU H
 &rst iat= 819,1043, r1= 0, r2= 0, r3= 6, r4= 6.5,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  53  ARG HA  66  GLU QG
 &rst iat= 821, -1, r1= 0, r2= 0, r3= 5.936, r4= 6.496,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1050,1051,
&end
#
#  53  ARG QB  66  GLU QG
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 7.15008, r4= 7.77728,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 823,824,
igr2= 1050,1051,
&end
#
#  54  ILE H  54  ILE HB
 &rst iat= 843,847, r1= 0, r2= 0, r3= 4, r4= 4.5,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  54  ILE H  54  ILE QG1
 &rst iat= 843, -1, r1= 0, r2= 0, r3= 4.48, r4= 5.04,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 853,854,
&end
#
#  54  ILE H  54  ILE QG2
 &rst iat= 843, -1, r1= 0, r2= 0, r3= 5.4, r4= 6,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 849,850,851,
&end
#
#  54  ILE H  54  ILE QD1
 &rst iat= 843, -1, r1= 0, r2= 0, r3= 5.4, r4= 6,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 856,857,858,
&end
#
#  54  ILE HA  54  ILE QG1
 &rst iat= 845, -1, r1= 0, r2= 0, r3= 4.592, r4= 5.152,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 853,854,
&end
#
#  54  ILE HA  54  ILE QG2
 &rst iat= 845, -1, r1= 0, r2= 0, r3= 4.56, r4= 5.16,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 849,850,851,
&end
#
#  54  ILE HA  54  ILE QD1
 &rst iat= 845, -1, r1= 0, r2= 0, r3= 5.28, r4= 5.88,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 856,857,858,
&end
#
#  54  ILE QG2  54  ILE QG1
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.1072, r4= 5.7792,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 849,850,851,
igr2= 853,854,
&end
#
#  54  ILE H  55  THR H
 &rst iat= 843,862, r1= 0, r2= 0, r3= 5.6, r4= 6.1,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  54  ILE H  55  THR QG2
 &rst iat= 843, -1, r1= 0, r2= 0, r3= 5.88, r4= 6.48,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 868,869,870,
&end
#
#  54  ILE HA  55  THR H
 &rst iat= 845,862, r1= 0, r2= 0, r3= 3.5, r4= 4,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  54  ILE HA  55  THR HA
 &rst iat= 845,864, r1= 0, r2= 0, r3= 5.3, r4= 5.8,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  54  ILE QG2  55  THR H
 &rst iat= -1,862, r1= 0, r2= 0, r3= 4.56, r4= 5.16,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 849,850,851,
&end
#
#  54  ILE QG2  55  THR HA
 &rst iat= -1,864, r1= 0, r2= 0, r3= 5.4, r4= 6,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 849,850,851,
&end
#
#  54  ILE QD1  55  THR H
 &rst iat= -1,862, r1= 0, r2= 0, r3= 6.24, r4= 6.84,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 856,857,858,
&end
#
#  54  ILE QG2  56  SER HA
 &rst iat= -1,878, r1= 0, r2= 0, r3= 7.2, r4= 7.8,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 849,850,851,
&end
#
#  54  ILE HA  61  ALA QB
 &rst iat= 845, -1, r1= 0, r2= 0, r3= 6.24, r4= 6.84,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 956,957,958,
&end
#
#  54  ILE QG2  61  ALA HA
 &rst iat= -1,954, r1= 0, r2= 0, r3= 6.36, r4= 6.96,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 849,850,851,
&end
#
#  54  ILE QG2  61  ALA QB
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.184, r4= 5.904,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 849,850,851,
igr2= 956,957,958,
&end
#
#  54  ILE QD1  61  ALA QB
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.48, r4= 7.2,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 856,857,858,
igr2= 956,957,958,
&end
#
#  54  ILE HA  62  TYR H
 &rst iat= 845,962, r1= 0, r2= 0, r3= 5.3, r4= 5.8,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  54  ILE QG2  62  TYR H
 &rst iat= -1,962, r1= 0, r2= 0, r3= 5.64, r4= 6.24,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 849,850,851,
&end
#
#  54  ILE QG2  62  TYR HA
 &rst iat= -1,964, r1= 0, r2= 0, r3= 7.2, r4= 7.8,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 849,850,851,
&end
#
#  54  ILE QG2  62  TYR QD
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 8.064, r4= 8.736,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 849,850,851,
igr2= 970,979,
&end
#
#  54  ILE HA  63  ILE HA
 &rst iat= 845,985, r1= 0, r2= 0, r3= 4.3, r4= 4.8,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  54  ILE HA  63  ILE QG2
 &rst iat= 845, -1, r1= 0, r2= 0, r3= 6.12, r4= 6.72,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 989,990,991,
&end
#
#  54  ILE HA  63  ILE QD1
 &rst iat= 845, -1, r1= 0, r2= 0, r3= 6.24, r4= 6.84,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 996,997,998,
&end
#
#  54  ILE QG2  63  ILE H
 &rst iat= -1,983, r1= 0, r2= 0, r3= 6.96, r4= 7.56,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 849,850,851,
&end
#
#  54  ILE QG2  63  ILE HA
 &rst iat= -1,985, r1= 0, r2= 0, r3= 6, r4= 6.6,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 849,850,851,
&end
#
#  54  ILE QG2  63  ILE QG1
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 7.2576, r4= 7.9296,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 849,850,851,
igr2= 993,994,
&end
#
#  54  ILE QG2  63  ILE QD1
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 7.488, r4= 8.208,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 849,850,851,
igr2= 996,997,998,
&end
#
#  54  ILE QD1  63  ILE H
 &rst iat= -1,983, r1= 0, r2= 0, r3= 7.2, r4= 7.8,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 856,857,858,
&end
#
#  54  ILE QD1  63  ILE HA
 &rst iat= -1,985, r1= 0, r2= 0, r3= 5.88, r4= 6.48,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 856,857,858,
&end
#
#  54  ILE QD1  63  ILE HB
 &rst iat= -1,987, r1= 0, r2= 0, r3= 6.6, r4= 7.2,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 856,857,858,
&end
#
#  54  ILE QD1  63  ILE QG1
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.4512, r4= 7.1232,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 856,857,858,
igr2= 993,994,
&end
#
#  54  ILE QD1  63  ILE QG2
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.048, r4= 6.768,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 856,857,858,
igr2= 989,990,991,
&end
#
#  54  ILE QD1  63  ILE QD1
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.336, r4= 7.056,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 856,857,858,
igr2= 996,997,998,
&end
#
#  54  ILE H  64  LYS H
 &rst iat= 843,1002, r1= 0, r2= 0, r3= 5.8, r4= 6.3,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  54  ILE HA  64  LYS H
 &rst iat= 845,1002, r1= 0, r2= 0, r3= 4.6, r4= 5.1,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  54  ILE QG2  64  LYS H
 &rst iat= -1,1002, r1= 0, r2= 0, r3= 6, r4= 6.6,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 849,850,851,
&end
#
#  54  ILE QD1  64  LYS H
 &rst iat= -1,1002, r1= 0, r2= 0, r3= 6.96, r4= 7.56,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 856,857,858,
&end
#
#  54  ILE QG1  124  PHE HA
 &rst iat= -1,1909, r1= 0, r2= 0, r3= 6.72, r4= 7.28,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 853,854,
&end
#
#  54  ILE QG1  124  PHE QD
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.8992, r4= 7.5264,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 853,854,
igr2= 1915,1923,
&end
#
#  54  ILE QG2  124  PHE QD
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 7.1232, r4= 7.7952,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 849,850,851,
igr2= 1915,1923,
&end
#
#  54  ILE QG2  124  PHE QE
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.72, r4= 7.392,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 849,850,851,
igr2= 1917,1921,
&end
#
#  54  ILE QD1  124  PHE H
 &rst iat= -1,1907, r1= 0, r2= 0, r3= 7.2, r4= 7.8,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 856,857,858,
&end
#
#  54  ILE QD1  124  PHE HA
 &rst iat= -1,1909, r1= 0, r2= 0, r3= 4.92, r4= 5.52,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 856,857,858,
&end
#
#  54  ILE QD1  124  PHE QB
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 7.1232, r4= 7.7952,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 856,857,858,
igr2= 1911,1912,
&end
#
#  54  ILE QD1  124  PHE QD
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 4.4352, r4= 5.1072,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 856,857,858,
igr2= 1915,1923,
&end
#
#  54  ILE QD1  124  PHE QE
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 4.8384, r4= 5.5104,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 856,857,858,
igr2= 1917,1921,
&end
#
#  54  ILE QD1  125  ASN HA
 &rst iat= -1,1929, r1= 0, r2= 0, r3= 7.2, r4= 7.8,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 856,857,858,
&end
#
#  54  ILE QG2  127  SER HA
 &rst iat= -1,1959, r1= 0, r2= 0, r3= 7.2, r4= 7.8,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 849,850,851,
&end
#
#  54  ILE QG2  127  SER QB
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.1824, r4= 6.8544,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 849,850,851,
igr2= 1961,1962,
&end
#
#  54  ILE QD1  127  SER H
 &rst iat= -1,1957, r1= 0, r2= 0, r3= 6.6, r4= 7.2,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 856,857,858,
&end
#
#  54  ILE QD1  127  SER HA
 &rst iat= -1,1959, r1= 0, r2= 0, r3= 7.2, r4= 7.8,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 856,857,858,
&end
#
#  54  ILE QD1  127  SER QB
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.376, r4= 6.048,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 856,857,858,
igr2= 1961,1962,
&end
#
#  54  ILE HB  128  LEU QD
 &rst iat= 847, -1, r1= 0, r2= 0, r3= 7.56, r4= 8.235,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1977,1978,1979,1981,1982,1983,
&end
#
#  54  ILE QG2  128  LEU HA
 &rst iat= -1,1970, r1= 0, r2= 0, r3= 5.88, r4= 6.48,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 849,850,851,
&end
#
#  54  ILE QG2  128  LEU QB
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 8.064, r4= 8.736,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 849,850,851,
igr2= 1972,1973,
&end
#
#  54  ILE QG2  128  LEU HG
 &rst iat= -1,1975, r1= 0, r2= 0, r3= 6.48, r4= 7.08,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 849,850,851,
&end
#
#  54  ILE QG1  128  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= 853,854,
igr2= 1977,1978,1979,1981,1982,1983,
&end
#
#  54  ILE QG2  128  LEU QD
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.832, r4= 6.642,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 849,850,851,
igr2= 1977,1978,1979,1981,1982,1983,
&end
#
#  54  ILE QD1  128  LEU H
 &rst iat= -1,1968, r1= 0, r2= 0, r3= 5.52, r4= 6.12,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 856,857,858,
&end
#
#  54  ILE QD1  128  LEU HA
 &rst iat= -1,1970, r1= 0, r2= 0, r3= 6.84, r4= 7.44,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 856,857,858,
&end
#
#  54  ILE QD1  128  LEU QB
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 7.6608, r4= 8.3328,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 856,857,858,
igr2= 1972,1973,
&end
#
#  54  ILE QD1  128  LEU HG
 &rst iat= -1,1975, r1= 0, r2= 0, r3= 5.28, r4= 5.88,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 856,857,858,
&end
#
#  54  ILE QD1  128  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= 856,857,858,
igr2= 1977,1978,1979,1981,1982,1983,
&end
#
#  55  THR H  55  THR QG2
 &rst iat= 862, -1, r1= 0, r2= 0, r3= 4.92, r4= 5.52,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 868,869,870,
&end
#
#  55  THR HA  55  THR QG2
 &rst iat= 864, -1, r1= 0, r2= 0, r3= 4.2, r4= 4.8,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 868,869,870,
&end
#
#  55  THR H  56  SER H
 &rst iat= 862,876, r1= 0, r2= 0, r3= 5.1, r4= 5.6,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  55  THR HB  56  SER H
 &rst iat= 866,876, r1= 0, r2= 0, r3= 3.9, r4= 4.4,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  55  THR QG2  56  SER H
 &rst iat= -1,876, r1= 0, r2= 0, r3= 5.4, r4= 6,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 868,869,870,
&end
#
#  55  THR H  61  ALA HA
 &rst iat= 862,954, r1= 0, r2= 0, r3= 6, r4= 6.5,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  55  THR H  61  ALA QB
 &rst iat= 862, -1, r1= 0, r2= 0, r3= 5.76, r4= 6.36,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 956,957,958,
&end
#
#  55  THR HA  61  ALA QB
 &rst iat= 864, -1, r1= 0, r2= 0, r3= 6.72, r4= 7.32,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 956,957,958,
&end
#
#  55  THR H  62  TYR HA
 &rst iat= 862,964, r1= 0, r2= 0, r3= 6, r4= 6.5,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  55  THR H  62  TYR QB
 &rst iat= 862, -1, r1= 0, r2= 0, r3= 5.824, r4= 6.384,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 966,967,
&end
#
#  55  THR HA  62  TYR QD
 &rst iat= 864, -1, r1= 0, r2= 0, r3= 6.72, r4= 7.28,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 970,979,
&end
#
#  55  THR QG2  62  TYR H
 &rst iat= -1,962, r1= 0, r2= 0, r3= 7.2, r4= 7.8,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 868,869,870,
&end
#
#  55  THR QG2  62  TYR QB
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 7.1232, r4= 7.7952,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 868,869,870,
igr2= 966,967,
&end
#
#  55  THR H  63  ILE H
 &rst iat= 862,983, r1= 0, r2= 0, r3= 6, r4= 6.5,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  55  THR H  63  ILE QG1
 &rst iat= 862, -1, r1= 0, r2= 0, r3= 6.72, r4= 7.28,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 993,994,
&end
#
#  55  THR H  63  ILE QD1
 &rst iat= 862, -1, r1= 0, r2= 0, r3= 6, r4= 6.6,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 996,997,998,
&end
#
#  55  THR H  64  LYS H
 &rst iat= 862,1002, r1= 0, r2= 0, r3= 5, r4= 5.5,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  55  THR H  64  LYS QG
 &rst iat= 862, -1, r1= 0, r2= 0, r3= 6.72, r4= 7.28,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1009,1010,
&end
#
#  55  THR QG2  64  LYS H
 &rst iat= -1,1002, r1= 0, r2= 0, r3= 7.2, r4= 7.8,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 868,869,870,
&end
#
#  55  THR QG2  64  LYS QD
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 8.064, r4= 8.736,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 868,869,870,
igr2= 1012,1013,
&end
#
#  55  THR QG2  64  LYS QE
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.7792, r4= 6.4512,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 868,869,870,
igr2= 1015,1016,
&end
#
#  55  THR H  128  LEU QD
 &rst iat= 862, -1, r1= 0, r2= 0, r3= 8.1, r4= 8.775,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1977,1978,1979,1981,1982,1983,
&end
#
#  56  SER H  57  LYS H
 &rst iat= 876,887, r1= 0, r2= 0, r3= 5.3, r4= 5.8,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  56  SER H  57  LYS QB
 &rst iat= 876, -1, r1= 0, r2= 0, r3= 5.712, r4= 6.272,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 891,892,
&end
#
#  56  SER HA  57  LYS QG
 &rst iat= 878, -1, r1= 0, r2= 0, r3= 6.72, r4= 7.28,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 894,895,
&end
#
#  56  SER QB  57  LYS H
 &rst iat= -1,887, r1= 0, r2= 0, r3= 4.704, r4= 5.264,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 880,881,
&end
#
#  56  SER HA  58  GLY H
 &rst iat= 878,909, r1= 0, r2= 0, r3= 5, r4= 5.5,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  56  SER QB  58  GLY H
 &rst iat= -1,909, r1= 0, r2= 0, r3= 5.936, r4= 6.496,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 880,881,
&end
#
#  56  SER HA  60  THR QG2
 &rst iat= 878, -1, r1= 0, r2= 0, r3= 6.96, r4= 7.56,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 944,945,946,
&end
#
#  56  SER QB  60  THR H
 &rst iat= -1,938, r1= 0, r2= 0, r3= 5.376, r4= 5.936,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 880,881,
&end
#
#  56  SER H  61  ALA QB
 &rst iat= 876, -1, r1= 0, r2= 0, r3= 6.84, r4= 7.44,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 956,957,958,
&end
#
#  56  SER HA  61  ALA HA
 &rst iat= 878,954, r1= 0, r2= 0, r3= 3.7, r4= 4.2,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  56  SER HA  61  ALA QB
 &rst iat= 878, -1, r1= 0, r2= 0, r3= 4.92, r4= 5.52,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 956,957,958,
&end
#
#  56  SER QB  61  ALA H
 &rst iat= -1,952, r1= 0, r2= 0, r3= 6.496, r4= 7.056,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 880,881,
&end
#
#  56  SER QB  61  ALA HA
 &rst iat= -1,954, r1= 0, r2= 0, r3= 4.816, r4= 5.376,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 880,881,
&end
#
#  56  SER QB  61  ALA QB
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.048, r4= 6.72,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 880,881,
igr2= 956,957,958,
&end
#
#  56  SER H  62  TYR H
 &rst iat= 876,962, r1= 0, r2= 0, r3= 5.2, r4= 5.7,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  56  SER H  62  TYR QB
 &rst iat= 876, -1, r1= 0, r2= 0, r3= 6.72, r4= 7.28,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 966,967,
&end
#
#  56  SER H  62  TYR QE
 &rst iat= 876, -1, r1= 0, r2= 0, r3= 6.496, r4= 7.056,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 972,977,
&end
#
#  56  SER HA  62  TYR H
 &rst iat= 878,962, r1= 0, r2= 0, r3= 4.5, r4= 5,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  56  SER HA  62  TYR QD
 &rst iat= 878, -1, r1= 0, r2= 0, r3= 4.592, r4= 5.152,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 970,979,
&end
#
#  56  SER HA  62  TYR QE
 &rst iat= 878, -1, r1= 0, r2= 0, r3= 4.928, r4= 5.488,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 972,977,
&end
#
#  56  SER QB  62  TYR H
 &rst iat= -1,962, r1= 0, r2= 0, r3= 5.6, r4= 6.16,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 880,881,
&end
#
#  56  SER QB  62  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= 880,881,
igr2= 970,979,
&end
#
#  56  SER QB  62  TYR QE
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.77376, r4= 7.40096,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 880,881,
igr2= 972,977,
&end
#
#  56  SER HA  131  HIS HE1
 &rst iat= 878,2025, r1= 0, r2= 0, r3= 4.8, r4= 5.3,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  56  SER QB  131  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= 880,881,
igr2= 2020,2021,
&end
#
#  56  SER QB  131  HIS HE1
 &rst iat= -1,2025, r1= 0, r2= 0, r3= 4.592, r4= 5.152,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 880,881,
&end
#
#  57  LYS H  57  LYS QG
 &rst iat= 887, -1, r1= 0, r2= 0, r3= 5.264, r4= 5.824,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 894,895,
&end
#
#  57  LYS H  57  LYS QD
 &rst iat= 887, -1, r1= 0, r2= 0, r3= 6.384, r4= 6.944,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 897,898,
&end
#
#  57  LYS HA  57  LYS QG
 &rst iat= 889, -1, r1= 0, r2= 0, r3= 4.256, r4= 4.816,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 894,895,
&end
#
#  57  LYS HA  57  LYS QD
 &rst iat= 889, -1, r1= 0, r2= 0, r3= 4.704, r4= 5.264,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 897,898,
&end
#
#  57  LYS HA  57  LYS QE
 &rst iat= 889, -1, r1= 0, r2= 0, r3= 5.04, r4= 5.6,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 900,901,
&end
#
#  57  LYS QB  57  LYS QD
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 4.13952, r4= 4.76672,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 891,892,
igr2= 897,898,
&end
#
#  57  LYS QB  57  LYS QE
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 4.26496, r4= 4.89216,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 891,892,
igr2= 900,901,
&end
#
#  57  LYS QG  57  LYS QE
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 4.13952, r4= 4.76672,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 894,895,
igr2= 900,901,
&end
#
#  57  LYS H  58  GLY H
 &rst iat= 887,909, r1= 0, r2= 0, r3= 4.7, r4= 5.2,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  57  LYS H  58  GLY QA
 &rst iat= 887, -1, r1= 0, r2= 0, r3= 5.936, r4= 6.496,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 911,912,
&end
#
#  57  LYS HA  58  GLY QA
 &rst iat= 889, -1, r1= 0, r2= 0, r3= 5.6, r4= 6.16,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 911,912,
&end
#
#  57  LYS QB  58  GLY H
 &rst iat= -1,909, r1= 0, r2= 0, r3= 5.712, r4= 6.272,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 891,892,
&end
#
#  57  LYS QG  58  GLY H
 &rst iat= -1,909, r1= 0, r2= 0, r3= 5.04, r4= 5.6,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 894,895,
&end
#
#  57  LYS QG  58  GLY QA
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.52288, r4= 7.15008,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 894,895,
igr2= 911,912,
&end
#
#  57  LYS QD  58  GLY H
 &rst iat= -1,909, r1= 0, r2= 0, r3= 6.496, r4= 7.056,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 897,898,
&end
#
#  57  LYS QE  58  GLY H
 &rst iat= -1,909, r1= 0, r2= 0, r3= 6.72, r4= 7.28,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 900,901,
&end
#
#  57  LYS H  60  THR H
 &rst iat= 887,938, r1= 0, r2= 0, r3= 4.7, r4= 5.2,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  57  LYS H  60  THR HB
 &rst iat= 887,942, r1= 0, r2= 0, r3= 5.3, r4= 5.8,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  57  LYS H  60  THR QG2
 &rst iat= 887, -1, r1= 0, r2= 0, r3= 6.72, r4= 7.32,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 944,945,946,
&end
#
#  57  LYS QB  60  THR QG2
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 7.5264, r4= 8.1984,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 891,892,
igr2= 944,945,946,
&end
#
#  57  LYS QG  60  THR HB
 &rst iat= -1,942, r1= 0, r2= 0, r3= 5.936, r4= 6.496,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 894,895,
&end
#
#  57  LYS H  61  ALA HA
 &rst iat= 887,954, r1= 0, r2= 0, r3= 4.6, r4= 5.1,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  57  LYS H  61  ALA QB
 &rst iat= 887, -1, r1= 0, r2= 0, r3= 6.48, r4= 7.08,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 956,957,958,
&end
#
#  57  LYS H  62  TYR H
 &rst iat= 887,962, r1= 0, r2= 0, r3= 4.9, r4= 5.4,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  57  LYS H  62  TYR QD
 &rst iat= 887, -1, r1= 0, r2= 0, r3= 5.04, r4= 5.6,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 970,979,
&end
#
#  57  LYS H  62  TYR QE
 &rst iat= 887, -1, r1= 0, r2= 0, r3= 4.592, r4= 5.152,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 972,977,
&end
#
#  57  LYS HA  62  TYR QE
 &rst iat= 889, -1, r1= 0, r2= 0, r3= 5.488, r4= 6.048,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 972,977,
&end
#
#  57  LYS QB  62  TYR QD
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.51936, r4= 6.14656,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 891,892,
igr2= 970,979,
&end
#
#  57  LYS QB  62  TYR QE
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 4.3904, r4= 5.0176,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 891,892,
igr2= 972,977,
&end
#
#  57  LYS QG  62  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= 894,895,
igr2= 972,977,
&end
#
#  57  LYS QD  62  TYR QD
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 7.27552, r4= 7.90272,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 897,898,
igr2= 970,979,
&end
#
#  57  LYS QD  62  TYR QE
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.14304, r4= 5.77024,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 897,898,
igr2= 972,977,
&end
#
#  57  LYS QE  62  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= 900,901,
igr2= 970,979,
&end
#
#  57  LYS QE  62  TYR QE
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.0176, r4= 5.6448,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 900,901,
igr2= 972,977,
&end
#
#  58  GLY H  59  LYS H
 &rst iat= 909,916, r1= 0, r2= 0, r3= 4.8, r4= 5.3,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  58  GLY QA  59  LYS HA
 &rst iat= -1,918, r1= 0, r2= 0, r3= 5.04, r4= 5.6,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 911,912,
&end
#
#  58  GLY H  60  THR H
 &rst iat= 909,938, r1= 0, r2= 0, r3= 5, r4= 5.5,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  58  GLY H  60  THR HB
 &rst iat= 909,942, r1= 0, r2= 0, r3= 5.3, r4= 5.8,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  58  GLY QA  60  THR H
 &rst iat= -1,938, r1= 0, r2= 0, r3= 5.264, r4= 5.824,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 911,912,
&end
#
#  59  LYS H  59  LYS QG
 &rst iat= 916, -1, r1= 0, r2= 0, r3= 5.488, r4= 6.048,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 923,924,
&end
#
#  59  LYS H  59  LYS QD
 &rst iat= 916, -1, r1= 0, r2= 0, r3= 5.6, r4= 6.16,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 926,927,
&end
#
#  59  LYS HA  59  LYS QG
 &rst iat= 918, -1, r1= 0, r2= 0, r3= 4.144, r4= 4.704,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 923,924,
&end
#
#  59  LYS HA  59  LYS QD
 &rst iat= 918, -1, r1= 0, r2= 0, r3= 4.48, r4= 5.04,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 926,927,
&end
#
#  59  LYS HA  59  LYS QE
 &rst iat= 918, -1, r1= 0, r2= 0, r3= 5.6, r4= 6.16,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 929,930,
&end
#
#  59  LYS QB  59  LYS QD
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 4.3904, r4= 5.0176,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 920,921,
igr2= 926,927,
&end
#
#  59  LYS QB  59  LYS QE
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.14304, r4= 5.77024,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 920,921,
igr2= 929,930,
&end
#
#  59  LYS QG  59  LYS QE
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 4.26496, r4= 4.89216,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 923,924,
igr2= 929,930,
&end
#
#  59  LYS QD  59  LYS QE
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 3.51232, r4= 4.13952,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 926,927,
igr2= 929,930,
&end
#
#  59  LYS H  60  THR H
 &rst iat= 916,938, r1= 0, r2= 0, r3= 4, r4= 4.5,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  59  LYS HA  60  THR HA
 &rst iat= 918,940, r1= 0, r2= 0, r3= 4.4, r4= 4.9,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  59  LYS HA  60  THR QG2
 &rst iat= 918, -1, r1= 0, r2= 0, r3= 6.72, r4= 7.32,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 944,945,946,
&end
#
#  59  LYS QB  60  THR H
 &rst iat= -1,938, r1= 0, r2= 0, r3= 4.816, r4= 5.376,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 920,921,
&end
#
#  59  LYS QB  60  THR HA
 &rst iat= -1,940, r1= 0, r2= 0, r3= 5.936, r4= 6.496,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 920,921,
&end
#
#  59  LYS QB  60  THR QG2
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 8.064, r4= 8.736,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 920,921,
igr2= 944,945,946,
&end
#
#  59  LYS QG  60  THR H
 &rst iat= -1,938, r1= 0, r2= 0, r3= 6.272, r4= 6.832,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 923,924,
&end
#
#  59  LYS QD  60  THR H
 &rst iat= -1,938, r1= 0, r2= 0, r3= 6.72, r4= 7.28,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 926,927,
&end
#
#  59  LYS QD  60  THR QG2
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 8.064, r4= 8.736,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 926,927,
igr2= 944,945,946,
&end
#
#  59  LYS QG  80  GLU HA
 &rst iat= -1,1249, r1= 0, r2= 0, r3= 5.712, r4= 6.272,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 923,924,
&end
#
#  59  LYS HA  131  HIS HE1
 &rst iat= 918,2025, r1= 0, r2= 0, r3= 4.1, r4= 4.6,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  59  LYS QG  131  HIS HE1
 &rst iat= -1,2025, r1= 0, r2= 0, r3= 6.384, r4= 6.944,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 923,924,
&end
#
#  59  LYS HA  132  PHE QD
 &rst iat= 918, -1, r1= 0, r2= 0, r3= 6.384, r4= 6.944,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 2041,2049,
&end
#
#  59  LYS HA  132  PHE QE
 &rst iat= 918, -1, r1= 0, r2= 0, r3= 5.824, r4= 6.384,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 2043,2047,
&end
#
#  59  LYS QE  132  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= 929,930,
igr2= 2041,2049,
&end
#
#  59  LYS QE  132  PHE QE
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.8992, r4= 7.5264,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 929,930,
igr2= 2043,2047,
&end
#
#  59  LYS H  134  TRP HH2
 &rst iat= 916,2090, r1= 0, r2= 0, r3= 5, r4= 5.5,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  59  LYS HA  134  TRP HZ3
 &rst iat= 918,2092, r1= 0, r2= 0, r3= 5.3, r4= 5.8,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  59  LYS HA  134  TRP HH2
 &rst iat= 918,2090, r1= 0, r2= 0, r3= 4.4, r4= 4.9,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  59  LYS QB  134  TRP HZ3
 &rst iat= -1,2092, r1= 0, r2= 0, r3= 5.936, r4= 6.496,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 920,921,
&end
#
#  59  LYS QG  134  TRP HZ3
 &rst iat= -1,2092, r1= 0, r2= 0, r3= 5.6, r4= 6.16,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 923,924,
&end
#
#  59  LYS QG  134  TRP HH2
 &rst iat= -1,2090, r1= 0, r2= 0, r3= 5.712, r4= 6.272,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 923,924,
&end
#
#  59  LYS H  135  VAL QG
 &rst iat= 916, -1, r1= 0, r2= 0, r3= 8.1, r4= 8.775,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 2105,2106,2107,2109,2110,2111,
&end
#
#  59  LYS HA  135  VAL QG
 &rst iat= 918, -1, r1= 0, r2= 0, r3= 5.13, r4= 5.805,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 2105,2106,2107,2109,2110,2111,
&end
#
#  59  LYS QB  135  VAL HA
 &rst iat= -1,2101, r1= 0, r2= 0, r3= 6.272, r4= 6.832,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 920,921,
&end
#
#  59  LYS QB  135  VAL QG
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.048, r4= 6.804,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 920,921,
igr2= 2105,2106,2107,2109,2110,2111,
&end
#
#  59  LYS QG  135  VAL QG
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.6528, r4= 7.4088,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 923,924,
igr2= 2105,2106,2107,2109,2110,2111,
&end
#
#  59  LYS QD  135  VAL QG
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.5016, r4= 7.2576,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 926,927,
igr2= 2105,2106,2107,2109,2110,2111,
&end
#
#  59  LYS QE  135  VAL HA
 &rst iat= -1,2101, r1= 0, r2= 0, r3= 5.488, r4= 6.048,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 929,930,
&end
#
#  59  LYS QE  135  VAL HB
 &rst iat= -1,2103, r1= 0, r2= 0, r3= 5.6, r4= 6.16,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 929,930,
&end
#
#  59  LYS QE  135  VAL QG
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.9552, r4= 7.7112,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 929,930,
igr2= 2105,2106,2107,2109,2110,2111,
&end
#
#  59  LYS QG  136  LYS H
 &rst iat= -1,2115, r1= 0, r2= 0, r3= 5.712, r4= 6.272,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 923,924,
&end
#
#  59  LYS QE  136  LYS H
 &rst iat= -1,2115, r1= 0, r2= 0, r3= 6.608, r4= 7.168,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 929,930,
&end
#
#  59  LYS QE  136  LYS HA
 &rst iat= -1,2117, r1= 0, r2= 0, r3= 4.816, r4= 5.376,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 929,930,
&end
#
#  59  LYS QE  136  LYS QB
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.6448, r4= 6.272,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 929,930,
igr2= 2119,2120,
&end
#
#  59  LYS QE  136  LYS QG
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.39744, r4= 7.02464,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 929,930,
igr2= 2122,2123,
&end
#
#  59  LYS QE  136  LYS QD
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.89568, r4= 6.52288,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 929,930,
igr2= 2125,2126,
&end
#
#  59  LYS QE  137  GLN QG
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.64832, r4= 7.27552,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 929,930,
igr2= 2144,2145,
&end
#
#  59  LYS QE  137  GLN QE
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 7.5264, r4= 8.1536,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 929,930,
igr2= 2149,2150,
&end
#
#  60  THR H  60  THR HB
 &rst iat= 938,942, r1= 0, r2= 0, r3= 3.4, r4= 3.9,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  60  THR H  60  THR QG2
 &rst iat= 938, -1, r1= 0, r2= 0, r3= 4.92, r4= 5.52,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 944,945,946,
&end
#
#  60  THR HA  60  THR QG2
 &rst iat= 940, -1, r1= 0, r2= 0, r3= 4.08, r4= 4.68,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 944,945,946,
&end
#
#  60  THR H  61  ALA H
 &rst iat= 938,952, r1= 0, r2= 0, r3= 4.5, r4= 5,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  60  THR H  61  ALA QB
 &rst iat= 938, -1, r1= 0, r2= 0, r3= 6.6, r4= 7.2,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 956,957,958,
&end
#
#  60  THR HA  61  ALA H
 &rst iat= 940,952, r1= 0, r2= 0, r3= 3.2, r4= 3.7,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  60  THR HA  61  ALA QB
 &rst iat= 940, -1, r1= 0, r2= 0, r3= 5.88, r4= 6.48,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 956,957,958,
&end
#
#  60  THR HB  61  ALA H
 &rst iat= 942,952, r1= 0, r2= 0, r3= 4.6, r4= 5.1,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  60  THR HB  61  ALA QB
 &rst iat= 942, -1, r1= 0, r2= 0, r3= 6.6, r4= 7.2,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 956,957,958,
&end
#
#  60  THR QG2  61  ALA H
 &rst iat= -1,952, r1= 0, r2= 0, r3= 4.32, r4= 4.92,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 944,945,946,
&end
#
#  60  THR QG2  61  ALA HA
 &rst iat= -1,954, r1= 0, r2= 0, r3= 6.48, r4= 7.08,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 944,945,946,
&end
#
#  60  THR QG2  61  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= 944,945,946,
igr2= 956,957,958,
&end
#
#  60  THR H  62  TYR QE
 &rst iat= 938, -1, r1= 0, r2= 0, r3= 5.936, r4= 6.496,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 972,977,
&end
#
#  60  THR HA  62  TYR QE
 &rst iat= 940, -1, r1= 0, r2= 0, r3= 5.488, r4= 6.048,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 972,977,
&end
#
#  60  THR HB  62  TYR QD
 &rst iat= 942, -1, r1= 0, r2= 0, r3= 4.816, r4= 5.376,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 970,979,
&end
#
#  60  THR HB  62  TYR QE
 &rst iat= 942, -1, r1= 0, r2= 0, r3= 3.808, r4= 4.368,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 972,977,
&end
#
#  60  THR QG2  62  TYR HA
 &rst iat= -1,964, r1= 0, r2= 0, r3= 6.36, r4= 6.96,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 944,945,946,
&end
#
#  60  THR QG2  62  TYR QE
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 4.4352, r4= 5.1072,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 944,945,946,
igr2= 972,977,
&end
#
#  60  THR QG2  78  PRO HA
 &rst iat= -1,1227, r1= 0, r2= 0, r3= 5.28, r4= 5.88,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 944,945,946,
&end
#
#  60  THR QG2  78  PRO QB
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.9136, r4= 6.5856,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 944,945,946,
igr2= 1224,1225,
&end
#
#  60  THR QG2  78  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= 944,945,946,
igr2= 1221,1222,
&end
#
#  60  THR HA  79  VAL H
 &rst iat= 940,1231, r1= 0, r2= 0, r3= 5.1, r4= 5.6,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  60  THR HA  79  VAL HB
 &rst iat= 940,1235, r1= 0, r2= 0, r3= 5.8, r4= 6.3,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  60  THR HA  79  VAL QG
 &rst iat= 940, -1, r1= 0, r2= 0, r3= 6.48, r4= 7.155,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1237,1238,1239,1241,1242,1243,
&end
#
#  60  THR QG2  79  VAL H
 &rst iat= -1,1231, r1= 0, r2= 0, r3= 4.56, r4= 5.16,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 944,945,946,
&end
#
#  60  THR QG2  79  VAL HA
 &rst iat= -1,1233, r1= 0, r2= 0, r3= 5.64, r4= 6.24,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 944,945,946,
&end
#
#  60  THR QG2  79  VAL QG
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 7.29, r4= 8.1,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 944,945,946,
igr2= 1237,1238,1239,1241,1242,1243,
&end
#
#  60  THR H  80  GLU HA
 &rst iat= 938,1249, r1= 0, r2= 0, r3= 5.7, r4= 6.2,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  60  THR HA  80  GLU H
 &rst iat= 940,1247, r1= 0, r2= 0, r3= 6, r4= 6.5,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  60  THR HA  80  GLU HA
 &rst iat= 940,1249, r1= 0, r2= 0, r3= 3.9, r4= 4.4,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  60  THR HA  80  GLU QB
 &rst iat= 940, -1, r1= 0, r2= 0, r3= 5.824, r4= 6.384,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1251,1252,
&end
#
#  60  THR HA  80  GLU QG
 &rst iat= 940, -1, r1= 0, r2= 0, r3= 5.376, r4= 5.936,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1254,1255,
&end
#
#  60  THR HB  80  GLU HA
 &rst iat= 942,1249, r1= 0, r2= 0, r3= 5.5, r4= 6,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  60  THR HB  80  GLU QG
 &rst iat= 942, -1, r1= 0, r2= 0, r3= 5.824, r4= 6.384,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1254,1255,
&end
#
#  60  THR QG2  80  GLU HA
 &rst iat= -1,1249, r1= 0, r2= 0, r3= 3.6, r4= 4.2,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 944,945,946,
&end
#
#  60  THR QG2  80  GLU QB
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.9888, r4= 7.6608,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 944,945,946,
igr2= 1251,1252,
&end
#
#  60  THR QG2  80  GLU QG
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.376, r4= 6.048,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 944,945,946,
igr2= 1254,1255,
&end
#
#  60  THR HA  81  GLN H
 &rst iat= 940,1262, r1= 0, r2= 0, r3= 6, r4= 6.5,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  60  THR QG2  81  GLN H
 &rst iat= -1,1262, r1= 0, r2= 0, r3= 6.72, r4= 7.32,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 944,945,946,
&end
#
#  60  THR HA  131  HIS HE1
 &rst iat= 940,2025, r1= 0, r2= 0, r3= 4.9, r4= 5.4,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  60  THR HB  131  HIS HE1
 &rst iat= 942,2025, r1= 0, r2= 0, r3= 5.2, r4= 5.7,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  60  THR HA  132  PHE QE
 &rst iat= 940, -1, r1= 0, r2= 0, r3= 5.6, r4= 6.16,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 2043,2047,
&end
#
#  60  THR HA  132  PHE HZ
 &rst iat= 940,2045, r1= 0, r2= 0, r3= 4.7, r4= 5.2,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  60  THR QG2  132  PHE QE
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.5856, r4= 7.2576,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 944,945,946,
igr2= 2043,2047,
&end
#
#  60  THR QG2  132  PHE HZ
 &rst iat= -1,2045, r1= 0, r2= 0, r3= 5.4, r4= 6,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 944,945,946,
&end
#
#  61  ALA H  61  ALA QB
 &rst iat= 952, -1, r1= 0, r2= 0, r3= 4.56, r4= 5.16,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 956,957,958,
&end
#
#  61  ALA H  62  TYR H
 &rst iat= 952,962, r1= 0, r2= 0, r3= 5.2, r4= 5.7,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  61  ALA H  62  TYR QE
 &rst iat= 952, -1, r1= 0, r2= 0, r3= 6.384, r4= 6.944,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 972,977,
&end
#
#  61  ALA HA  62  TYR QD
 &rst iat= 954, -1, r1= 0, r2= 0, r3= 4.704, r4= 5.264,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 970,979,
&end
#
#  61  ALA HA  62  TYR QE
 &rst iat= 954, -1, r1= 0, r2= 0, r3= 5.264, r4= 5.824,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 972,977,
&end
#
#  61  ALA QB  62  TYR H
 &rst iat= -1,962, r1= 0, r2= 0, r3= 4.56, r4= 5.16,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 956,957,958,
&end
#
#  61  ALA QB  62  TYR HA
 &rst iat= -1,964, r1= 0, r2= 0, r3= 6.84, r4= 7.44,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 956,957,958,
&end
#
#  61  ALA QB  62  TYR QB
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 8.064, r4= 8.736,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 956,957,958,
igr2= 966,967,
&end
#
#  61  ALA QB  62  TYR QD
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.1824, r4= 6.8544,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 956,957,958,
igr2= 970,979,
&end
#
#  61  ALA QB  63  ILE H
 &rst iat= -1,983, r1= 0, r2= 0, r3= 6.24, r4= 6.84,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 956,957,958,
&end
#
#  61  ALA QB  63  ILE HA
 &rst iat= -1,985, r1= 0, r2= 0, r3= 6.36, r4= 6.96,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 956,957,958,
&end
#
#  61  ALA QB  63  ILE QG1
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 8.064, r4= 8.736,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 956,957,958,
igr2= 993,994,
&end
#
#  61  ALA QB  63  ILE QD1
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.904, r4= 6.624,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 956,957,958,
igr2= 996,997,998,
&end
#
#  61  ALA H  78  PRO HA
 &rst iat= 952,1227, r1= 0, r2= 0, r3= 5.8, r4= 6.3,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  61  ALA QB  78  PRO HA
 &rst iat= -1,1227, r1= 0, r2= 0, r3= 7.2, r4= 7.8,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 956,957,958,
&end
#
#  61  ALA H  79  VAL H
 &rst iat= 952,1231, r1= 0, r2= 0, r3= 4.6, r4= 5.1,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  61  ALA H  79  VAL QG
 &rst iat= 952, -1, r1= 0, r2= 0, r3= 6.345, r4= 7.02,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1237,1238,1239,1241,1242,1243,
&end
#
#  61  ALA H  80  GLU H
 &rst iat= 952,1247, r1= 0, r2= 0, r3= 5.8, r4= 6.3,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  61  ALA QB  80  GLU HA
 &rst iat= -1,1249, r1= 0, r2= 0, r3= 6.72, r4= 7.32,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 956,957,958,
&end
#
#  61  ALA H  128  LEU QD
 &rst iat= 952, -1, r1= 0, r2= 0, r3= 7.965, r4= 8.64,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1977,1978,1979,1981,1982,1983,
&end
#
#  61  ALA QB  128  LEU HA
 &rst iat= -1,1970, r1= 0, r2= 0, r3= 6.12, r4= 6.72,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 956,957,958,
&end
#
#  61  ALA QB  128  LEU QB
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.5856, r4= 7.2576,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 956,957,958,
igr2= 1972,1973,
&end
#
#  61  ALA QB  128  LEU HG
 &rst iat= -1,1975, r1= 0, r2= 0, r3= 6.6, r4= 7.2,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 956,957,958,
&end
#
#  61  ALA QB  128  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= 956,957,958,
igr2= 1977,1978,1979,1981,1982,1983,
&end
#
#  61  ALA QB  131  HIS HE1
 &rst iat= -1,2025, r1= 0, r2= 0, r3= 6.24, r4= 6.84,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 956,957,958,
&end
#
#  61  ALA H  132  PHE HZ
 &rst iat= 952,2045, r1= 0, r2= 0, r3= 4.5, r4= 5,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  61  ALA QB  132  PHE H
 &rst iat= -1,2033, r1= 0, r2= 0, r3= 7.08, r4= 7.68,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 956,957,958,
&end
#
#  61  ALA QB  132  PHE QD
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 7.392, r4= 8.064,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 956,957,958,
igr2= 2041,2049,
&end
#
#  61  ALA QB  132  PHE QE
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.5104, r4= 6.1824,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 956,957,958,
igr2= 2043,2047,
&end
#
#  61  ALA QB  132  PHE HZ
 &rst iat= -1,2045, r1= 0, r2= 0, r3= 4.8, r4= 5.4,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 956,957,958,
&end
#
#  62  TYR H  62  TYR QD
 &rst iat= 962, -1, r1= 0, r2= 0, r3= 4.368, r4= 4.928,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 970,979,
&end
#
#  62  TYR HA  62  TYR QD
 &rst iat= 964, -1, r1= 0, r2= 0, r3= 4.816, r4= 5.376,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 970,979,
&end
#
#  62  TYR H  63  ILE H
 &rst iat= 962,983, r1= 0, r2= 0, r3= 5.2, r4= 5.7,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  62  TYR H  63  ILE QD1
 &rst iat= 962, -1, r1= 0, r2= 0, r3= 6.48, r4= 7.08,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 996,997,998,
&end
#
#  62  TYR HA  63  ILE HB
 &rst iat= 964,987, r1= 0, r2= 0, r3= 5.4, r4= 5.9,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  62  TYR HA  63  ILE QG1
 &rst iat= 964, -1, r1= 0, r2= 0, r3= 6.16, r4= 6.72,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 993,994,
&end
#
#  62  TYR HA  63  ILE QG2
 &rst iat= 964, -1, r1= 0, r2= 0, r3= 6.72, r4= 7.32,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 989,990,991,
&end
#
#  62  TYR HA  63  ILE QD1
 &rst iat= 964, -1, r1= 0, r2= 0, r3= 6.72, r4= 7.32,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 996,997,998,
&end
#
#  62  TYR QB  63  ILE H
 &rst iat= -1,983, r1= 0, r2= 0, r3= 5.488, r4= 6.048,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 966,967,
&end
#
#  62  TYR QB  63  ILE HB
 &rst iat= -1,987, r1= 0, r2= 0, r3= 6.72, r4= 7.28,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 966,967,
&end
#
#  62  TYR QB  63  ILE QD1
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 8.064, r4= 8.736,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 966,967,
igr2= 996,997,998,
&end
#
#  62  TYR QD  63  ILE H
 &rst iat= -1,983, r1= 0, r2= 0, r3= 5.488, r4= 6.048,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 970,979,
&end
#
#  62  TYR H  64  LYS H
 &rst iat= 962,1002, r1= 0, r2= 0, r3= 5.5, r4= 6,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  62  TYR H  64  LYS QG
 &rst iat= 962, -1, r1= 0, r2= 0, r3= 6.72, r4= 7.28,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1009,1010,
&end
#
#  62  TYR QB  64  LYS H
 &rst iat= -1,1002, r1= 0, r2= 0, r3= 5.488, r4= 6.048,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 966,967,
&end
#
#  62  TYR QB  64  LYS QE
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.77024, r4= 6.39744,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 966,967,
igr2= 1015,1016,
&end
#
#  62  TYR QD  64  LYS QD
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.272, r4= 6.8992,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 970,979,
igr2= 1012,1013,
&end
#
#  62  TYR QD  64  LYS QE
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.77376, r4= 7.40096,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 970,979,
igr2= 1015,1016,
&end
#
#  62  TYR HA  77  ALA H
 &rst iat= 964,1207, r1= 0, r2= 0, r3= 5.9, r4= 6.4,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  62  TYR QB  77  ALA H
 &rst iat= -1,1207, r1= 0, r2= 0, r3= 6.048, r4= 6.608,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 966,967,
&end
#
#  62  TYR QD  77  ALA HA
 &rst iat= -1,1209, r1= 0, r2= 0, r3= 6.384, r4= 6.944,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 970,979,
&end
#
#  62  TYR HA  78  PRO HA
 &rst iat= 964,1227, r1= 0, r2= 0, r3= 4.5, r4= 5,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  62  TYR HA  78  PRO QB
 &rst iat= 964, -1, r1= 0, r2= 0, r3= 5.152, r4= 5.712,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1224,1225,
&end
#
#  62  TYR QB  78  PRO QB
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.64832, r4= 7.27552,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 966,967,
igr2= 1224,1225,
&end
#
#  62  TYR QD  78  PRO HA
 &rst iat= -1,1227, r1= 0, r2= 0, r3= 4.592, r4= 5.152,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 970,979,
&end
#
#  62  TYR QD  78  PRO QB
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 4.89216, r4= 5.51936,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 970,979,
igr2= 1224,1225,
&end
#
#  62  TYR QD  78  PRO QD
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 7.02464, r4= 7.65184,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 970,979,
igr2= 1218,1219,
&end
#
#  62  TYR QE  78  PRO HA
 &rst iat= -1,1227, r1= 0, r2= 0, r3= 4.816, r4= 5.376,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 972,977,
&end
#
#  62  TYR QE  78  PRO QB
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 4.76672, r4= 5.39392,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 972,977,
igr2= 1224,1225,
&end
#
#  62  TYR QE  78  PRO QG
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.6448, r4= 6.272,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 972,977,
igr2= 1221,1222,
&end
#
#  62  TYR QE  78  PRO QD
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.64832, r4= 7.27552,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 972,977,
igr2= 1218,1219,
&end
#
#  62  TYR H  79  VAL H
 &rst iat= 962,1231, r1= 0, r2= 0, r3= 6, r4= 6.5,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  62  TYR HA  79  VAL H
 &rst iat= 964,1231, r1= 0, r2= 0, r3= 4.9, r4= 5.4,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  62  TYR HA  79  VAL QG
 &rst iat= 964, -1, r1= 0, r2= 0, r3= 7.155, r4= 7.83,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1237,1238,1239,1241,1242,1243,
&end
#
#  62  TYR QB  79  VAL H
 &rst iat= -1,1231, r1= 0, r2= 0, r3= 6.72, r4= 7.28,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 966,967,
&end
#
#  62  TYR QB  79  VAL QG
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 9.072, r4= 9.828,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 966,967,
igr2= 1237,1238,1239,1241,1242,1243,
&end
#
#  62  TYR QD  79  VAL QG
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 8.316, r4= 9.072,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 970,979,
igr2= 1237,1238,1239,1241,1242,1243,
&end
#
#  62  TYR H  128  LEU QD
 &rst iat= 962, -1, r1= 0, r2= 0, r3= 8.1, r4= 8.775,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1977,1978,1979,1981,1982,1983,
&end
#
#  63  ILE H  63  ILE HB
 &rst iat= 983,987, r1= 0, r2= 0, r3= 4.1, r4= 4.6,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  63  ILE H  63  ILE QG1
 &rst iat= 983, -1, r1= 0, r2= 0, r3= 5.376, r4= 5.936,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 993,994,
&end
#
#  63  ILE H  63  ILE QG2
 &rst iat= 983, -1, r1= 0, r2= 0, r3= 5.28, r4= 5.88,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 989,990,991,
&end
#
#  63  ILE H  63  ILE QD1
 &rst iat= 983, -1, r1= 0, r2= 0, r3= 5.04, r4= 5.64,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 996,997,998,
&end
#
#  63  ILE HA  63  ILE QG2
 &rst iat= 985, -1, r1= 0, r2= 0, r3= 4.32, r4= 4.92,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 989,990,991,
&end
#
#  63  ILE HA  63  ILE QD1
 &rst iat= 985, -1, r1= 0, r2= 0, r3= 5.4, r4= 6,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 996,997,998,
&end
#
#  63  ILE HB  63  ILE QD1
 &rst iat= 987, -1, r1= 0, r2= 0, r3= 4.44, r4= 5.04,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 996,997,998,
&end
#
#  63  ILE QG2  63  ILE QD1
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.472, r4= 6.192,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 989,990,991,
igr2= 996,997,998,
&end
#
#  63  ILE H  64  LYS H
 &rst iat= 983,1002, r1= 0, r2= 0, r3= 5.8, r4= 6.3,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  63  ILE H  64  LYS HA
 &rst iat= 983,1004, r1= 0, r2= 0, r3= 5.5, r4= 6,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  63  ILE H  64  LYS QG
 &rst iat= 983, -1, r1= 0, r2= 0, r3= 6.72, r4= 7.28,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1009,1010,
&end
#
#  63  ILE HB  64  LYS H
 &rst iat= 987,1002, r1= 0, r2= 0, r3= 5.2, r4= 5.7,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  63  ILE HB  64  LYS HA
 &rst iat= 987,1004, r1= 0, r2= 0, r3= 4.8, r4= 5.3,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  63  ILE QG2  64  LYS H
 &rst iat= -1,1002, r1= 0, r2= 0, r3= 4.8, r4= 5.4,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 989,990,991,
&end
#
#  63  ILE QG2  64  LYS HA
 &rst iat= -1,1004, r1= 0, r2= 0, r3= 6.96, r4= 7.56,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 989,990,991,
&end
#
#  63  ILE QD1  64  LYS QG
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 8.064, r4= 8.736,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 996,997,998,
igr2= 1009,1010,
&end
#
#  63  ILE QG2  65  LEU HA
 &rst iat= -1,1026, r1= 0, r2= 0, r3= 7.2, r4= 7.8,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 989,990,991,
&end
#
#  63  ILE QG2  65  LEU HG
 &rst iat= -1,1031, r1= 0, r2= 0, r3= 5.76, r4= 6.36,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 989,990,991,
&end
#
#  63  ILE QG2  65  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= 989,990,991,
igr2= 1033,1034,1035,1037,1038,1039,
&end
#
#  63  ILE H  76  GLN HA
 &rst iat= 983,1192, r1= 0, r2= 0, r3= 5.6, r4= 6.1,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  63  ILE QG2  76  GLN HA
 &rst iat= -1,1192, r1= 0, r2= 0, r3= 6.12, r4= 6.72,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 989,990,991,
&end
#
#  63  ILE H  77  ALA H
 &rst iat= 983,1207, r1= 0, r2= 0, r3= 4.4, r4= 4.9,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  63  ILE H  77  ALA QB
 &rst iat= 983, -1, r1= 0, r2= 0, r3= 5.04, r4= 5.64,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1211,1212,1213,
&end
#
#  63  ILE HB  77  ALA H
 &rst iat= 987,1207, r1= 0, r2= 0, r3= 4, r4= 4.5,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  63  ILE HB  77  ALA QB
 &rst iat= 987, -1, r1= 0, r2= 0, r3= 4.32, r4= 4.92,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1211,1212,1213,
&end
#
#  63  ILE QG1  77  ALA H
 &rst iat= -1,1207, r1= 0, r2= 0, r3= 5.936, r4= 6.496,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 993,994,
&end
#
#  63  ILE QG2  77  ALA H
 &rst iat= -1,1207, r1= 0, r2= 0, r3= 5.4, r4= 6,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 989,990,991,
&end
#
#  63  ILE QG2  77  ALA QB
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.048, r4= 6.768,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 989,990,991,
igr2= 1211,1212,1213,
&end
#
#  63  ILE QD1  77  ALA H
 &rst iat= -1,1207, r1= 0, r2= 0, r3= 6.48, r4= 7.08,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 996,997,998,
&end
#
#  63  ILE QD1  77  ALA QB
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.192, r4= 6.912,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 996,997,998,
igr2= 1211,1212,1213,
&end
#
#  63  ILE H  78  PRO HA
 &rst iat= 983,1227, r1= 0, r2= 0, r3= 5.4, r4= 5.9,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  63  ILE H  78  PRO QB
 &rst iat= 983, -1, r1= 0, r2= 0, r3= 6.72, r4= 7.28,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1224,1225,
&end
#
#  63  ILE H  78  PRO QD
 &rst iat= 983, -1, r1= 0, r2= 0, r3= 6.496, r4= 7.056,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1218,1219,
&end
#
#  63  ILE H  79  VAL H
 &rst iat= 983,1231, r1= 0, r2= 0, r3= 5, r4= 5.5,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  63  ILE H  79  VAL QG
 &rst iat= 983, -1, r1= 0, r2= 0, r3= 6.075, r4= 6.75,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1237,1238,1239,1241,1242,1243,
&end
#
#  63  ILE HA  79  VAL QG
 &rst iat= 985, -1, r1= 0, r2= 0, r3= 7.425, r4= 8.1,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1237,1238,1239,1241,1242,1243,
&end
#
#  63  ILE QG1  79  VAL HB
 &rst iat= -1,1235, r1= 0, r2= 0, r3= 5.488, r4= 6.048,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 993,994,
&end
#
#  63  ILE QG1  79  VAL QG
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.3504, r4= 7.1064,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 993,994,
igr2= 1237,1238,1239,1241,1242,1243,
&end
#
#  63  ILE QD1  79  VAL QG
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.48, r4= 7.29,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 996,997,998,
igr2= 1237,1238,1239,1241,1242,1243,
&end
#
#  63  ILE HB  87  VAL HB
 &rst iat= 987,1354, r1= 0, r2= 0, r3= 6, r4= 6.5,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  63  ILE HB  87  VAL QG
 &rst iat= 987, -1, r1= 0, r2= 0, r3= 8.1, r4= 8.775,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1356,1357,1358,1360,1361,1362,
&end
#
#  63  ILE QG1  87  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= 993,994,
igr2= 1356,1357,1358,1360,1361,1362,
&end
#
#  63  ILE QG2  87  VAL QG
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 7.938, r4= 8.748,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 989,990,991,
igr2= 1356,1357,1358,1360,1361,1362,
&end
#
#  63  ILE QD1  87  VAL HA
 &rst iat= -1,1352, r1= 0, r2= 0, r3= 6.6, r4= 7.2,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 996,997,998,
&end
#
#  63  ILE QD1  87  VAL HB
 &rst iat= -1,1354, r1= 0, r2= 0, r3= 6.12, r4= 6.72,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 996,997,998,
&end
#
#  63  ILE HA  99  ILE QD1
 &rst iat= 985, -1, r1= 0, r2= 0, r3= 6.84, r4= 7.44,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1553,1554,1555,
&end
#
#  63  ILE HB  99  ILE HB
 &rst iat= 987,1544, r1= 0, r2= 0, r3= 5.2, r4= 5.7,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  63  ILE HB  99  ILE QD1
 &rst iat= 987, -1, r1= 0, r2= 0, r3= 5.4, r4= 6,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1553,1554,1555,
&end
#
#  63  ILE QG1  99  ILE HB
 &rst iat= -1,1544, r1= 0, r2= 0, r3= 5.152, r4= 5.712,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 993,994,
&end
#
#  63  ILE QG2  99  ILE HB
 &rst iat= -1,1544, r1= 0, r2= 0, r3= 6, r4= 6.6,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 989,990,991,
&end
#
#  63  ILE QG1  99  ILE QG2
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.3168, r4= 6.9888,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 993,994,
igr2= 1546,1547,1548,
&end
#
#  63  ILE QG2  99  ILE QG1
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 8.064, r4= 8.736,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 989,990,991,
igr2= 1550,1551,
&end
#
#  63  ILE QG2  99  ILE QG2
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.184, r4= 5.904,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 989,990,991,
igr2= 1546,1547,1548,
&end
#
#  63  ILE QG2  99  ILE QD1
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.04, r4= 5.76,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 989,990,991,
igr2= 1553,1554,1555,
&end
#
#  63  ILE QD1  99  ILE HB
 &rst iat= -1,1544, r1= 0, r2= 0, r3= 5.88, r4= 6.48,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 996,997,998,
&end
#
#  63  ILE QD1  99  ILE QG2
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.184, r4= 5.904,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 996,997,998,
igr2= 1546,1547,1548,
&end
#
#  63  ILE HB  113  ILE QD1
 &rst iat= 987, -1, r1= 0, r2= 0, r3= 6.48, r4= 7.08,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1763,1764,1765,
&end
#
#  63  ILE QG2  113  ILE QD1
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.624, r4= 7.344,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 989,990,991,
igr2= 1763,1764,1765,
&end
#
#  63  ILE QG1  124  PHE QD
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.77376, r4= 7.40096,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 993,994,
igr2= 1915,1923,
&end
#
#  63  ILE QG2  124  PHE QD
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.7792, r4= 6.4512,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 989,990,991,
igr2= 1915,1923,
&end
#
#  63  ILE QG1  124  PHE QE
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.6448, r4= 6.272,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 993,994,
igr2= 1917,1921,
&end
#
#  63  ILE QG2  124  PHE QE
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 4.9728, r4= 5.6448,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 989,990,991,
igr2= 1917,1921,
&end
#
#  63  ILE QD1  124  PHE HA
 &rst iat= -1,1909, r1= 0, r2= 0, r3= 6.48, r4= 7.08,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 996,997,998,
&end
#
#  63  ILE QD1  124  PHE QD
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.2416, r4= 5.9136,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 996,997,998,
igr2= 1915,1923,
&end
#
#  63  ILE QD1  124  PHE QE
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 4.5696, r4= 5.2416,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 996,997,998,
igr2= 1917,1921,
&end
#
#  63  ILE QD1  127  SER QB
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 7.6608, r4= 8.3328,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 996,997,998,
igr2= 1961,1962,
&end
#
#  63  ILE H  128  LEU QD
 &rst iat= 983, -1, r1= 0, r2= 0, r3= 8.1, r4= 8.775,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1977,1978,1979,1981,1982,1983,
&end
#
#  63  ILE HB  128  LEU QD
 &rst iat= 987, -1, r1= 0, r2= 0, r3= 8.1, r4= 8.775,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1977,1978,1979,1981,1982,1983,
&end
#
#  63  ILE QG2  128  LEU HG
 &rst iat= -1,1975, r1= 0, r2= 0, r3= 7.2, r4= 7.8,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 989,990,991,
&end
#
#  63  ILE QG1  128  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= 993,994,
igr2= 1977,1978,1979,1981,1982,1983,
&end
#
#  63  ILE QG2  128  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= 989,990,991,
igr2= 1977,1978,1979,1981,1982,1983,
&end
#
#  63  ILE QD1  128  LEU H
 &rst iat= -1,1968, r1= 0, r2= 0, r3= 7.2, r4= 7.8,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 996,997,998,
&end
#
#  63  ILE QD1  128  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= 996,997,998,
igr2= 1972,1973,
&end
#
#  63  ILE QD1  128  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= 996,997,998,
igr2= 1977,1978,1979,1981,1982,1983,
&end
#
#  64  LYS H  64  LYS QE
 &rst iat= 1002, -1, r1= 0, r2= 0, r3= 6.72, r4= 7.28,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1015,1016,
&end
#
#  64  LYS HA  64  LYS QG
 &rst iat= 1004, -1, r1= 0, r2= 0, r3= 3.92, r4= 4.48,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1009,1010,
&end
#
#  64  LYS HA  64  LYS QD
 &rst iat= 1004, -1, r1= 0, r2= 0, r3= 5.264, r4= 5.824,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1012,1013,
&end
#
#  64  LYS HA  64  LYS QE
 &rst iat= 1004, -1, r1= 0, r2= 0, r3= 5.04, r4= 5.6,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1015,1016,
&end
#
#  64  LYS QG  64  LYS QE
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 4.64128, r4= 5.26848,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1009,1010,
igr2= 1015,1016,
&end
#
#  64  LYS H  65  LEU H
 &rst iat= 1002,1024, r1= 0, r2= 0, r3= 5.3, r4= 5.8,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  64  LYS H  65  LEU HA
 &rst iat= 1002,1026, r1= 0, r2= 0, r3= 5.3, r4= 5.8,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  64  LYS H  65  LEU QD
 &rst iat= 1002, -1, r1= 0, r2= 0, r3= 7.965, r4= 8.64,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1033,1034,1035,1037,1038,1039,
&end
#
#  64  LYS HA  65  LEU QD
 &rst iat= 1004, -1, r1= 0, r2= 0, r3= 8.1, r4= 8.775,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1033,1034,1035,1037,1038,1039,
&end
#
#  64  LYS QB  65  LEU H
 &rst iat= -1,1024, r1= 0, r2= 0, r3= 5.264, r4= 5.824,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1006,1007,
&end
#
#  64  LYS HA  73  LEU QD
 &rst iat= 1004, -1, r1= 0, r2= 0, r3= 5.535, r4= 6.21,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1150,1151,1152,1154,1155,1156,
&end
#
#  64  LYS QB  73  LEU QD
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.5944, r4= 6.3504,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1006,1007,
igr2= 1150,1151,1152,1154,1155,1156,
&end
#
#  64  LYS QG  73  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= 1009,1010,
igr2= 1150,1151,1152,1154,1155,1156,
&end
#
#  64  LYS QD  73  LEU QD
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 9.072, r4= 9.828,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1012,1013,
igr2= 1150,1151,1152,1154,1155,1156,
&end
#
#  64  LYS QE  73  LEU QD
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.048, r4= 6.804,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1015,1016,
igr2= 1150,1151,1152,1154,1155,1156,
&end
#
#  64  LYS HA  75  ALA H
 &rst iat= 1004,1180, r1= 0, r2= 0, r3= 5.3, r4= 5.8,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  64  LYS H  76  GLN HA
 &rst iat= 1002,1192, r1= 0, r2= 0, r3= 4.9, r4= 5.4,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  64  LYS HA  76  GLN HA
 &rst iat= 1004,1192, r1= 0, r2= 0, r3= 4.4, r4= 4.9,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  64  LYS HA  76  GLN QB
 &rst iat= 1004, -1, r1= 0, r2= 0, r3= 4.48, r4= 5.04,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1194,1195,
&end
#
#  64  LYS QG  76  GLN HA
 &rst iat= -1,1192, r1= 0, r2= 0, r3= 5.936, r4= 6.496,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1009,1010,
&end
#
#  64  LYS QG  76  GLN QB
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.14304, r4= 5.77024,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1009,1010,
igr2= 1194,1195,
&end
#
#  64  LYS QD  76  GLN QB
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.272, r4= 6.8992,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1012,1013,
igr2= 1194,1195,
&end
#
#  64  LYS QE  76  GLN QB
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 7.5264, r4= 8.1536,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1015,1016,
igr2= 1194,1195,
&end
#
#  64  LYS QE  76  GLN QE
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 7.5264, r4= 8.1536,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1015,1016,
igr2= 1202,1203,
&end
#
#  64  LYS HA  77  ALA H
 &rst iat= 1004,1207, r1= 0, r2= 0, r3= 5.1, r4= 5.6,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  65  LEU H  65  LEU HG
 &rst iat= 1024,1031, r1= 0, r2= 0, r3= 4.3, r4= 4.8,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  65  LEU H  65  LEU QD
 &rst iat= 1024, -1, r1= 0, r2= 0, r3= 5.94, r4= 6.615,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1033,1034,1035,1037,1038,1039,
&end
#
#  65  LEU HA  65  LEU QD
 &rst iat= 1026, -1, r1= 0, r2= 0, r3= 5.13, r4= 5.805,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1033,1034,1035,1037,1038,1039,
&end
#
#  65  LEU QB  65  LEU QD
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.7456, r4= 6.5016,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1028,1029,
igr2= 1033,1034,1035,1037,1038,1039,
&end
#
#  65  LEU H  66  GLU H
 &rst iat= 1024,1043, r1= 0, r2= 0, r3= 5.3, r4= 5.8,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  65  LEU H  66  GLU HA
 &rst iat= 1024,1045, r1= 0, r2= 0, r3= 5.5, r4= 6,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  65  LEU H  66  GLU QG
 &rst iat= 1024, -1, r1= 0, r2= 0, r3= 6.72, r4= 7.28,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1050,1051,
&end
#
#  65  LEU HA  66  GLU QB
 &rst iat= 1026, -1, r1= 0, r2= 0, r3= 5.488, r4= 6.048,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1047,1048,
&end
#
#  65  LEU HA  66  GLU QG
 &rst iat= 1026, -1, r1= 0, r2= 0, r3= 5.936, r4= 6.496,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1050,1051,
&end
#
#  65  LEU QB  66  GLU H
 &rst iat= -1,1043, r1= 0, r2= 0, r3= 5.264, r4= 5.824,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1028,1029,
&end
#
#  65  LEU QD  66  GLU H
 &rst iat= -1,1043, r1= 0, r2= 0, r3= 5.535, r4= 6.21,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1033,1034,1035,1037,1038,1039,
&end
#
#  65  LEU QD  66  GLU QG
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 9.072, r4= 9.828,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1033,1034,1035,1037,1038,1039,
igr2= 1050,1051,
&end
#
#  65  LEU H  73  LEU HA
 &rst iat= 1024,1143, r1= 0, r2= 0, r3= 6, r4= 6.5,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  65  LEU H  73  LEU QD
 &rst iat= 1024, -1, r1= 0, r2= 0, r3= 5.4, r4= 6.075,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1150,1151,1152,1154,1155,1156,
&end
#
#  65  LEU HA  73  LEU QD
 &rst iat= 1026, -1, r1= 0, r2= 0, r3= 7.155, r4= 7.83,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1150,1151,1152,1154,1155,1156,
&end
#
#  65  LEU QB  73  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= 1028,1029,
igr2= 1150,1151,1152,1154,1155,1156,
&end
#
#  65  LEU H  74  PHE H
 &rst iat= 1024,1160, r1= 0, r2= 0, r3= 5, r4= 5.5,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  65  LEU H  74  PHE QB
 &rst iat= 1024, -1, r1= 0, r2= 0, r3= 6.72, r4= 7.28,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1164,1165,
&end
#
#  65  LEU H  74  PHE QD
 &rst iat= 1024, -1, r1= 0, r2= 0, r3= 5.488, r4= 6.048,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1168,1176,
&end
#
#  65  LEU HA  74  PHE H
 &rst iat= 1026,1160, r1= 0, r2= 0, r3= 5.5, r4= 6,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  65  LEU HA  74  PHE QB
 &rst iat= 1026, -1, r1= 0, r2= 0, r3= 5.824, r4= 6.384,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1164,1165,
&end
#
#  65  LEU QB  74  PHE H
 &rst iat= -1,1160, r1= 0, r2= 0, r3= 5.936, r4= 6.496,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1028,1029,
&end
#
#  65  LEU QB  74  PHE QB
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.02112, r4= 6.64832,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1028,1029,
igr2= 1164,1165,
&end
#
#  65  LEU QB  74  PHE QD
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.0176, r4= 5.6448,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1028,1029,
igr2= 1168,1176,
&end
#
#  65  LEU QB  74  PHE QE
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.77024, r4= 6.39744,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1028,1029,
igr2= 1170,1174,
&end
#
#  65  LEU HG  74  PHE QD
 &rst iat= 1031, -1, r1= 0, r2= 0, r3= 5.824, r4= 6.384,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1168,1176,
&end
#
#  65  LEU QD  74  PHE H
 &rst iat= -1,1160, r1= 0, r2= 0, r3= 7.425, r4= 8.1,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1033,1034,1035,1037,1038,1039,
&end
#
#  65  LEU QD  74  PHE QB
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.6528, r4= 7.4088,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1033,1034,1035,1037,1038,1039,
igr2= 1164,1165,
&end
#
#  65  LEU QD  74  PHE QD
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.4432, r4= 6.1992,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1033,1034,1035,1037,1038,1039,
igr2= 1168,1176,
&end
#
#  65  LEU QD  74  PHE QE
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.8968, r4= 6.6528,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1033,1034,1035,1037,1038,1039,
igr2= 1170,1174,
&end
#
#  65  LEU QD  74  PHE HZ
 &rst iat= -1,1172, r1= 0, r2= 0, r3= 8.1, r4= 8.775,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1033,1034,1035,1037,1038,1039,
&end
#
#  65  LEU H  75  ALA H
 &rst iat= 1024,1180, r1= 0, r2= 0, r3= 4.4, r4= 4.9,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  65  LEU H  75  ALA HA
 &rst iat= 1024,1182, r1= 0, r2= 0, r3= 6, r4= 6.5,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  65  LEU H  75  ALA QB
 &rst iat= 1024, -1, r1= 0, r2= 0, r3= 6.12, r4= 6.72,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1184,1185,1186,
&end
#
#  65  LEU HA  75  ALA H
 &rst iat= 1026,1180, r1= 0, r2= 0, r3= 4.9, r4= 5.4,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  65  LEU QB  75  ALA H
 &rst iat= -1,1180, r1= 0, r2= 0, r3= 4.816, r4= 5.376,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1028,1029,
&end
#
#  65  LEU QB  75  ALA HA
 &rst iat= -1,1182, r1= 0, r2= 0, r3= 5.936, r4= 6.496,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1028,1029,
&end
#
#  65  LEU QB  75  ALA QB
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.8544, r4= 7.5264,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1028,1029,
igr2= 1184,1185,1186,
&end
#
#  65  LEU HG  75  ALA H
 &rst iat= 1031,1180, r1= 0, r2= 0, r3= 5.8, r4= 6.3,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  65  LEU HG  75  ALA QB
 &rst iat= 1031, -1, r1= 0, r2= 0, r3= 6.84, r4= 7.44,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1184,1185,1186,
&end
#
#  65  LEU QD  75  ALA H
 &rst iat= -1,1180, r1= 0, r2= 0, r3= 6.21, r4= 6.885,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1033,1034,1035,1037,1038,1039,
&end
#
#  65  LEU QD  75  ALA HA
 &rst iat= -1,1182, r1= 0, r2= 0, r3= 6.885, r4= 7.56,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1033,1034,1035,1037,1038,1039,
&end
#
#  65  LEU QD  75  ALA QB
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.508, r4= 6.318,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1033,1034,1035,1037,1038,1039,
igr2= 1184,1185,1186,
&end
#
#  65  LEU H  76  GLN H
 &rst iat= 1024,1190, r1= 0, r2= 0, r3= 5.9, r4= 6.4,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  65  LEU H  76  GLN HA
 &rst iat= 1024,1192, r1= 0, r2= 0, r3= 4.5, r4= 5,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  65  LEU H  76  GLN QB
 &rst iat= 1024, -1, r1= 0, r2= 0, r3= 6.72, r4= 7.28,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1194,1195,
&end
#
#  65  LEU QD  76  GLN H
 &rst iat= -1,1190, r1= 0, r2= 0, r3= 6.885, r4= 7.56,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1033,1034,1035,1037,1038,1039,
&end
#
#  65  LEU QD  76  GLN HA
 &rst iat= -1,1192, r1= 0, r2= 0, r3= 8.1, r4= 8.775,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1033,1034,1035,1037,1038,1039,
&end
#
#  65  LEU H  77  ALA H
 &rst iat= 1024,1207, r1= 0, r2= 0, r3= 5.7, r4= 6.2,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  65  LEU QD  113  ILE QD1
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 7.776, r4= 8.586,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1033,1034,1035,1037,1038,1039,
igr2= 1763,1764,1765,
&end
#
#  65  LEU HG  124  PHE QE
 &rst iat= 1031, -1, r1= 0, r2= 0, r3= 6.72, r4= 7.28,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1917,1921,
&end
#
#  65  LEU QD  124  PHE QE
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 7.2576, r4= 8.0136,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1033,1034,1035,1037,1038,1039,
igr2= 1917,1921,
&end
#
#  66  GLU H  66  GLU QG
 &rst iat= 1043, -1, r1= 0, r2= 0, r3= 5.488, r4= 6.048,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1050,1051,
&end
#
#  66  GLU HA  66  GLU QG
 &rst iat= 1045, -1, r1= 0, r2= 0, r3= 4.704, r4= 5.264,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1050,1051,
&end
#
#  66  GLU H  67  ASP H
 &rst iat= 1043,1058, r1= 0, r2= 0, r3= 4.9, r4= 5.4,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  66  GLU H  67  ASP HA
 &rst iat= 1043,1060, r1= 0, r2= 0, r3= 6, r4= 6.5,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  66  GLU QB  67  ASP H
 &rst iat= -1,1058, r1= 0, r2= 0, r3= 5.376, r4= 5.936,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1047,1048,
&end
#
#  66  GLU QG  67  ASP H
 &rst iat= -1,1058, r1= 0, r2= 0, r3= 5.824, r4= 6.384,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1050,1051,
&end
#
#  66  GLU QB  71  GLY H
 &rst iat= -1,1119, r1= 0, r2= 0, r3= 6.048, r4= 6.608,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1047,1048,
&end
#
#  66  GLU QB  71  GLY QA
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.14656, r4= 6.77376,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1047,1048,
igr2= 1121,1122,
&end
#
#  66  GLU QG  71  GLY QA
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.39744, r4= 7.02464,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1050,1051,
igr2= 1121,1122,
&end
#
#  66  GLU HA  72  GLU H
 &rst iat= 1045,1126, r1= 0, r2= 0, r3= 5.5, r4= 6,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  66  GLU HA  72  GLU QB
 &rst iat= 1045, -1, r1= 0, r2= 0, r3= 5.824, r4= 6.384,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1130,1131,
&end
#
#  66  GLU QB  72  GLU H
 &rst iat= -1,1126, r1= 0, r2= 0, r3= 6.16, r4= 6.72,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1047,1048,
&end
#
#  66  GLU QB  72  GLU HA
 &rst iat= -1,1128, r1= 0, r2= 0, r3= 6.496, r4= 7.056,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1047,1048,
&end
#
#  66  GLU QB  72  GLU QB
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 7.5264, r4= 8.1536,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1047,1048,
igr2= 1130,1131,
&end
#
#  66  GLU H  73  LEU HA
 &rst iat= 1043,1143, r1= 0, r2= 0, r3= 6, r4= 6.5,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  66  GLU H  73  LEU QD
 &rst iat= 1043, -1, r1= 0, r2= 0, r3= 7.155, r4= 7.83,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1150,1151,1152,1154,1155,1156,
&end
#
#  66  GLU HA  73  LEU H
 &rst iat= 1045,1141, r1= 0, r2= 0, r3= 5.8, r4= 6.3,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  66  GLU HA  73  LEU HA
 &rst iat= 1045,1143, r1= 0, r2= 0, r3= 4.1, r4= 4.6,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  66  GLU HA  73  LEU QD
 &rst iat= 1045, -1, r1= 0, r2= 0, r3= 5.67, r4= 6.345,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1150,1151,1152,1154,1155,1156,
&end
#
#  66  GLU QB  73  LEU H
 &rst iat= -1,1141, r1= 0, r2= 0, r3= 6.72, r4= 7.28,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1047,1048,
&end
#
#  66  GLU QG  73  LEU H
 &rst iat= -1,1141, r1= 0, r2= 0, r3= 5.712, r4= 6.272,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1050,1051,
&end
#
#  66  GLU QG  73  LEU HA
 &rst iat= -1,1143, r1= 0, r2= 0, r3= 4.928, r4= 5.488,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1050,1051,
&end
#
#  66  GLU QG  73  LEU QD
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.8968, r4= 6.6528,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1050,1051,
igr2= 1150,1151,1152,1154,1155,1156,
&end
#
#  66  GLU HA  74  PHE H
 &rst iat= 1045,1160, r1= 0, r2= 0, r3= 4.6, r4= 5.1,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  66  GLU HA  74  PHE QB
 &rst iat= 1045, -1, r1= 0, r2= 0, r3= 6.048, r4= 6.608,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1164,1165,
&end
#
#  66  GLU HA  75  ALA H
 &rst iat= 1045,1180, r1= 0, r2= 0, r3= 5.1, r4= 5.6,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  67  ASP H  67  ASP QB
 &rst iat= 1058, -1, r1= 0, r2= 0, r3= 4.144, r4= 4.704,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1062,1063,
&end
#
#  67  ASP H  68  LYS HA
 &rst iat= 1058,1072, r1= 0, r2= 0, r3= 6, r4= 6.5,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  67  ASP HA  68  LYS HA
 &rst iat= 1060,1072, r1= 0, r2= 0, r3= 4.5, r4= 5,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  67  ASP HA  68  LYS QB
 &rst iat= 1060, -1, r1= 0, r2= 0, r3= 5.6, r4= 6.16,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1074,1075,
&end
#
#  67  ASP QB  68  LYS H
 &rst iat= -1,1070, r1= 0, r2= 0, r3= 5.04, r4= 5.6,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1062,1063,
&end
#
#  67  ASP QB  68  LYS QB
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 7.5264, r4= 8.1536,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1062,1063,
igr2= 1074,1075,
&end
#
#  67  ASP H  69  VAL H
 &rst iat= 1058,1092, r1= 0, r2= 0, r3= 6, r4= 6.5,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  67  ASP H  69  VAL QG
 &rst iat= 1058, -1, r1= 0, r2= 0, r3= 8.1, r4= 8.775,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1098,1099,1100,1102,1103,1104,
&end
#
#  67  ASP HA  69  VAL H
 &rst iat= 1060,1092, r1= 0, r2= 0, r3= 5.7, r4= 6.2,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  67  ASP HA  69  VAL QG
 &rst iat= 1060, -1, r1= 0, r2= 0, r3= 7.83, r4= 8.505,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1098,1099,1100,1102,1103,1104,
&end
#
#  67  ASP QB  69  VAL H
 &rst iat= -1,1092, r1= 0, r2= 0, r3= 5.6, r4= 6.16,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1062,1063,
&end
#
#  67  ASP QB  69  VAL QG
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 8.7696, r4= 9.5256,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1062,1063,
igr2= 1098,1099,1100,1102,1103,1104,
&end
#
#  67  ASP H  70  SER H
 &rst iat= 1058,1108, r1= 0, r2= 0, r3= 4.7, r4= 5.2,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  67  ASP QB  70  SER H
 &rst iat= -1,1108, r1= 0, r2= 0, r3= 5.04, r4= 5.6,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1062,1063,
&end
#
#  67  ASP H  71  GLY H
 &rst iat= 1058,1119, r1= 0, r2= 0, r3= 4.6, r4= 5.1,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  67  ASP H  71  GLY QA
 &rst iat= 1058, -1, r1= 0, r2= 0, r3= 6.72, r4= 7.28,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1121,1122,
&end
#
#  67  ASP HA  71  GLY H
 &rst iat= 1060,1119, r1= 0, r2= 0, r3= 5.6, r4= 6.1,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  67  ASP QB  71  GLY H
 &rst iat= -1,1119, r1= 0, r2= 0, r3= 4.48, r4= 5.04,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1062,1063,
&end
#
#  67  ASP QB  71  GLY QA
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.39744, r4= 7.02464,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1062,1063,
igr2= 1121,1122,
&end
#
#  67  ASP H  72  GLU H
 &rst iat= 1058,1126, r1= 0, r2= 0, r3= 4, r4= 4.5,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  67  ASP H  72  GLU HA
 &rst iat= 1058,1128, r1= 0, r2= 0, r3= 5, r4= 5.5,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  67  ASP H  72  GLU QB
 &rst iat= 1058, -1, r1= 0, r2= 0, r3= 5.152, r4= 5.712,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1130,1131,
&end
#
#  67  ASP H  72  GLU QG
 &rst iat= 1058, -1, r1= 0, r2= 0, r3= 5.824, r4= 6.384,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1133,1134,
&end
#
#  67  ASP HA  72  GLU H
 &rst iat= 1060,1126, r1= 0, r2= 0, r3= 5.8, r4= 6.3,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  67  ASP QB  72  GLU H
 &rst iat= -1,1126, r1= 0, r2= 0, r3= 4.368, r4= 4.928,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1062,1063,
&end
#
#  67  ASP QB  72  GLU QB
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.26848, r4= 5.89568,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1062,1063,
igr2= 1130,1131,
&end
#
#  67  ASP QB  72  GLU QG
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.52288, r4= 7.15008,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1062,1063,
igr2= 1133,1134,
&end
#
#  67  ASP H  73  LEU H
 &rst iat= 1058,1141, r1= 0, r2= 0, r3= 5.7, r4= 6.2,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  67  ASP H  73  LEU HA
 &rst iat= 1058,1143, r1= 0, r2= 0, r3= 4.6, r4= 5.1,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  67  ASP H  73  LEU QD
 &rst iat= 1058, -1, r1= 0, r2= 0, r3= 7.83, r4= 8.505,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1150,1151,1152,1154,1155,1156,
&end
#
#  67  ASP H  74  PHE H
 &rst iat= 1058,1160, r1= 0, r2= 0, r3= 5.1, r4= 5.6,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  67  ASP QB  74  PHE H
 &rst iat= -1,1160, r1= 0, r2= 0, r3= 6.72, r4= 7.28,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1062,1063,
&end
#
#  68  LYS H  68  LYS QE
 &rst iat= 1070, -1, r1= 0, r2= 0, r3= 6.272, r4= 6.832,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1083,1084,
&end
#
#  68  LYS HA  68  LYS QG
 &rst iat= 1072, -1, r1= 0, r2= 0, r3= 4.704, r4= 5.264,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1077,1078,
&end
#
#  68  LYS HA  68  LYS QD
 &rst iat= 1072, -1, r1= 0, r2= 0, r3= 5.152, r4= 5.712,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1080,1081,
&end
#
#  68  LYS HA  68  LYS QE
 &rst iat= 1072, -1, r1= 0, r2= 0, r3= 5.824, r4= 6.384,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1083,1084,
&end
#
#  68  LYS QB  68  LYS QD
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 4.64128, r4= 5.26848,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1074,1075,
igr2= 1080,1081,
&end
#
#  68  LYS QB  68  LYS QE
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.52288, r4= 7.15008,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1074,1075,
igr2= 1083,1084,
&end
#
#  68  LYS QG  68  LYS QE
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 4.76672, r4= 5.39392,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1077,1078,
igr2= 1083,1084,
&end
#
#  68  LYS H  69  VAL H
 &rst iat= 1070,1092, r1= 0, r2= 0, r3= 4, r4= 4.5,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  68  LYS H  69  VAL HB
 &rst iat= 1070,1096, r1= 0, r2= 0, r3= 6, r4= 6.5,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  68  LYS H  69  VAL QG
 &rst iat= 1070, -1, r1= 0, r2= 0, r3= 6.885, r4= 7.56,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1098,1099,1100,1102,1103,1104,
&end
#
#  68  LYS HA  69  VAL HA
 &rst iat= 1072,1094, r1= 0, r2= 0, r3= 5.2, r4= 5.7,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  68  LYS HA  69  VAL QG
 &rst iat= 1072, -1, r1= 0, r2= 0, r3= 6.075, r4= 6.75,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1098,1099,1100,1102,1103,1104,
&end
#
#  68  LYS QB  69  VAL H
 &rst iat= -1,1092, r1= 0, r2= 0, r3= 5.04, r4= 5.6,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1074,1075,
&end
#
#  68  LYS QB  69  VAL HA
 &rst iat= -1,1094, r1= 0, r2= 0, r3= 6.608, r4= 7.168,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1074,1075,
&end
#
#  68  LYS QB  69  VAL QG
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 7.2576, r4= 8.0136,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1074,1075,
igr2= 1098,1099,1100,1102,1103,1104,
&end
#
#  68  LYS QG  69  VAL H
 &rst iat= -1,1092, r1= 0, r2= 0, r3= 5.6, r4= 6.16,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1077,1078,
&end
#
#  68  LYS QG  69  VAL HA
 &rst iat= -1,1094, r1= 0, r2= 0, r3= 5.6, r4= 6.16,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1077,1078,
&end
#
#  68  LYS QG  69  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= 1077,1078,
igr2= 1098,1099,1100,1102,1103,1104,
&end
#
#  68  LYS QD  69  VAL QG
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 8.0136, r4= 8.7696,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1080,1081,
igr2= 1098,1099,1100,1102,1103,1104,
&end
#
#  68  LYS H  70  SER H
 &rst iat= 1070,1108, r1= 0, r2= 0, r3= 6, r4= 6.5,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  68  LYS H  71  GLY H
 &rst iat= 1070,1119, r1= 0, r2= 0, r3= 5.1, r4= 5.6,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  68  LYS H  72  GLU H
 &rst iat= 1070,1126, r1= 0, r2= 0, r3= 6, r4= 6.5,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  69  VAL H  69  VAL QG
 &rst iat= 1092, -1, r1= 0, r2= 0, r3= 4.455, r4= 5.13,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1098,1099,1100,1102,1103,1104,
&end
#
#  69  VAL HA  69  VAL QG
 &rst iat= 1094, -1, r1= 0, r2= 0, r3= 3.915, r4= 4.59,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1098,1099,1100,1102,1103,1104,
&end
#
#  69  VAL H  70  SER H
 &rst iat= 1092,1108, r1= 0, r2= 0, r3= 3.4, r4= 3.9,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  69  VAL H  70  SER HA
 &rst iat= 1092,1110, r1= 0, r2= 0, r3= 4.8, r4= 5.3,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  69  VAL H  70  SER QB
 &rst iat= 1092, -1, r1= 0, r2= 0, r3= 5.712, r4= 6.272,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1112,1113,
&end
#
#  69  VAL HA  70  SER HA
 &rst iat= 1094,1110, r1= 0, r2= 0, r3= 4.5, r4= 5,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  69  VAL HA  70  SER QB
 &rst iat= 1094, -1, r1= 0, r2= 0, r3= 6.72, r4= 7.28,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1112,1113,
&end
#
#  69  VAL HB  70  SER H
 &rst iat= 1096,1108, r1= 0, r2= 0, r3= 3.6, r4= 4.1,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  69  VAL HB  70  SER HA
 &rst iat= 1096,1110, r1= 0, r2= 0, r3= 5.5, r4= 6,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  69  VAL HB  70  SER QB
 &rst iat= 1096, -1, r1= 0, r2= 0, r3= 5.6, r4= 6.16,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1112,1113,
&end
#
#  69  VAL QG  70  SER H
 &rst iat= -1,1108, r1= 0, r2= 0, r3= 5.13, r4= 5.805,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1098,1099,1100,1102,1103,1104,
&end
#
#  69  VAL QG  70  SER HA
 &rst iat= -1,1110, r1= 0, r2= 0, r3= 5.535, r4= 6.21,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1098,1099,1100,1102,1103,1104,
&end
#
#  69  VAL QG  70  SER QB
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.804, r4= 7.56,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1098,1099,1100,1102,1103,1104,
igr2= 1112,1113,
&end
#
#  69  VAL H  71  GLY H
 &rst iat= 1092,1119, r1= 0, r2= 0, r3= 4.2, r4= 4.7,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  69  VAL H  71  GLY QA
 &rst iat= 1092, -1, r1= 0, r2= 0, r3= 5.936, r4= 6.496,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1121,1122,
&end
#
#  69  VAL HB  71  GLY H
 &rst iat= 1096,1119, r1= 0, r2= 0, r3= 5.3, r4= 5.8,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  69  VAL QG  71  GLY H
 &rst iat= -1,1119, r1= 0, r2= 0, r3= 6.75, r4= 7.425,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1098,1099,1100,1102,1103,1104,
&end
#
#  69  VAL H  72  GLU H
 &rst iat= 1092,1126, r1= 0, r2= 0, r3= 5, r4= 5.5,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  69  VAL QG  72  GLU H
 &rst iat= -1,1126, r1= 0, r2= 0, r3= 8.1, r4= 8.775,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1098,1099,1100,1102,1103,1104,
&end
#
#  69  VAL QG  72  GLU QG
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 8.7696, r4= 9.5256,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1098,1099,1100,1102,1103,1104,
igr2= 1133,1134,
&end
#
#  70  SER H  70  SER QB
 &rst iat= 1108, -1, r1= 0, r2= 0, r3= 4.592, r4= 5.152,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1112,1113,
&end
#
#  70  SER H  71  GLY H
 &rst iat= 1108,1119, r1= 0, r2= 0, r3= 3.5, r4= 4,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  70  SER H  71  GLY QA
 &rst iat= 1108, -1, r1= 0, r2= 0, r3= 5.6, r4= 6.16,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1121,1122,
&end
#
#  70  SER QB  71  GLY H
 &rst iat= -1,1119, r1= 0, r2= 0, r3= 5.488, r4= 6.048,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1112,1113,
&end
#
#  70  SER H  72  GLU H
 &rst iat= 1108,1126, r1= 0, r2= 0, r3= 4.6, r4= 5.1,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  70  SER H  72  GLU QB
 &rst iat= 1108, -1, r1= 0, r2= 0, r3= 6.72, r4= 7.28,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1130,1131,
&end
#
#  70  SER H  72  GLU QG
 &rst iat= 1108, -1, r1= 0, r2= 0, r3= 6.72, r4= 7.28,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1133,1134,
&end
#
#  70  SER HA  72  GLU H
 &rst iat= 1110,1126, r1= 0, r2= 0, r3= 5.1, r4= 5.6,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  70  SER HA  72  GLU QG
 &rst iat= 1110, -1, r1= 0, r2= 0, r3= 5.936, r4= 6.496,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1133,1134,
&end
#
#  70  SER QB  72  GLU H
 &rst iat= -1,1126, r1= 0, r2= 0, r3= 6.72, r4= 7.28,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1112,1113,
&end
#
#  70  SER QB  72  GLU HA
 &rst iat= -1,1128, r1= 0, r2= 0, r3= 5.376, r4= 5.936,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1112,1113,
&end
#
#  70  SER QB  72  GLU QB
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.39392, r4= 6.02112,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1112,1113,
igr2= 1130,1131,
&end
#
#  70  SER QB  72  GLU QG
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.14304, r4= 5.77024,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1112,1113,
igr2= 1133,1134,
&end
#
#  71  GLY H  72  GLU QB
 &rst iat= 1119, -1, r1= 0, r2= 0, r3= 6.048, r4= 6.608,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1130,1131,
&end
#
#  71  GLY QA  72  GLU HA
 &rst iat= -1,1128, r1= 0, r2= 0, r3= 5.488, r4= 6.048,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1121,1122,
&end
#
#  72  GLU H  72  GLU QB
 &rst iat= 1126, -1, r1= 0, r2= 0, r3= 3.696, r4= 4.256,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1130,1131,
&end
#
#  72  GLU H  72  GLU QG
 &rst iat= 1126, -1, r1= 0, r2= 0, r3= 4.144, r4= 4.704,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1133,1134,
&end
#
#  72  GLU HA  72  GLU QG
 &rst iat= 1128, -1, r1= 0, r2= 0, r3= 4.032, r4= 4.592,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1133,1134,
&end
#
#  72  GLU QB  72  GLU QG
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 3.63776, r4= 4.26496,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1130,1131,
igr2= 1133,1134,
&end
#
#  72  GLU H  73  LEU H
 &rst iat= 1126,1141, r1= 0, r2= 0, r3= 4.7, r4= 5.2,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  72  GLU H  73  LEU HA
 &rst iat= 1126,1143, r1= 0, r2= 0, r3= 5.9, r4= 6.4,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  72  GLU HA  73  LEU H
 &rst iat= 1128,1141, r1= 0, r2= 0, r3= 3, r4= 3.5,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  72  GLU HA  73  LEU HA
 &rst iat= 1128,1143, r1= 0, r2= 0, r3= 4.9, r4= 5.4,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  72  GLU HA  73  LEU QB
 &rst iat= 1128, -1, r1= 0, r2= 0, r3= 4.816, r4= 5.376,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1145,1146,
&end
#
#  72  GLU HA  73  LEU QD
 &rst iat= 1128, -1, r1= 0, r2= 0, r3= 7.02, r4= 7.695,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1150,1151,1152,1154,1155,1156,
&end
#
#  72  GLU QB  73  LEU H
 &rst iat= -1,1141, r1= 0, r2= 0, r3= 4.144, r4= 4.704,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1130,1131,
&end
#
#  72  GLU QB  73  LEU HA
 &rst iat= -1,1143, r1= 0, r2= 0, r3= 5.936, r4= 6.496,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1130,1131,
&end
#
#  72  GLU QB  73  LEU QB
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.14656, r4= 6.77376,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1130,1131,
igr2= 1145,1146,
&end
#
#  72  GLU QG  73  LEU H
 &rst iat= -1,1141, r1= 0, r2= 0, r3= 4.704, r4= 5.264,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1133,1134,
&end
#
#  73  LEU H  73  LEU QB
 &rst iat= 1141, -1, r1= 0, r2= 0, r3= 4.144, r4= 4.704,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1145,1146,
&end
#
#  73  LEU H  73  LEU HG
 &rst iat= 1141,1148, r1= 0, r2= 0, r3= 5, r4= 5.5,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  73  LEU H  73  LEU QD
 &rst iat= 1141, -1, r1= 0, r2= 0, r3= 5.67, r4= 6.345,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1150,1151,1152,1154,1155,1156,
&end
#
#  73  LEU HA  73  LEU QD
 &rst iat= 1143, -1, r1= 0, r2= 0, r3= 4.725, r4= 5.4,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1150,1151,1152,1154,1155,1156,
&end
#
#  73  LEU QB  73  LEU QD
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.1408, r4= 5.8968,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1145,1146,
igr2= 1150,1151,1152,1154,1155,1156,
&end
#
#  73  LEU H  74  PHE H
 &rst iat= 1141,1160, r1= 0, r2= 0, r3= 5.3, r4= 5.8,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  73  LEU H  74  PHE HA
 &rst iat= 1141,1162, r1= 0, r2= 0, r3= 5.7, r4= 6.2,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  73  LEU HA  74  PHE HA
 &rst iat= 1143,1162, r1= 0, r2= 0, r3= 4.8, r4= 5.3,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  73  LEU HA  74  PHE QB
 &rst iat= 1143, -1, r1= 0, r2= 0, r3= 5.376, r4= 5.936,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1164,1165,
&end
#
#  73  LEU HA  74  PHE QD
 &rst iat= 1143, -1, r1= 0, r2= 0, r3= 6.72, r4= 7.28,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1168,1176,
&end
#
#  73  LEU QB  74  PHE H
 &rst iat= -1,1160, r1= 0, r2= 0, r3= 6.72, r4= 7.28,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1145,1146,
&end
#
#  73  LEU QB  74  PHE HA
 &rst iat= -1,1162, r1= 0, r2= 0, r3= 5.488, r4= 6.048,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1145,1146,
&end
#
#  73  LEU HG  74  PHE H
 &rst iat= 1148,1160, r1= 0, r2= 0, r3= 4.9, r4= 5.4,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  73  LEU QD  74  PHE H
 &rst iat= -1,1160, r1= 0, r2= 0, r3= 4.995, r4= 5.67,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1150,1151,1152,1154,1155,1156,
&end
#
#  73  LEU QD  74  PHE HA
 &rst iat= -1,1162, r1= 0, r2= 0, r3= 6.885, r4= 7.56,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1150,1151,1152,1154,1155,1156,
&end
#
#  73  LEU QD  74  PHE QB
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 7.56, r4= 8.316,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1150,1151,1152,1154,1155,1156,
igr2= 1164,1165,
&end
#
#  73  LEU HA  75  ALA H
 &rst iat= 1143,1180, r1= 0, r2= 0, r3= 4.3, r4= 4.8,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  73  LEU HG  75  ALA HA
 &rst iat= 1148,1182, r1= 0, r2= 0, r3= 5.4, r4= 5.9,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  73  LEU QD  75  ALA H
 &rst iat= -1,1180, r1= 0, r2= 0, r3= 5.265, r4= 5.94,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1150,1151,1152,1154,1155,1156,
&end
#
#  73  LEU QD  75  ALA HA
 &rst iat= -1,1182, r1= 0, r2= 0, r3= 5.535, r4= 6.21,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1150,1151,1152,1154,1155,1156,
&end
#
#  73  LEU QD  75  ALA QB
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.804, r4= 7.614,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1150,1151,1152,1154,1155,1156,
igr2= 1184,1185,1186,
&end
#
#  73  LEU QB  76  GLN QE
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.52288, r4= 7.15008,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1145,1146,
igr2= 1202,1203,
&end
#
#  73  LEU HG  76  GLN HA
 &rst iat= 1148,1192, r1= 0, r2= 0, r3= 6, r4= 6.5,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  73  LEU QD  76  GLN H
 &rst iat= -1,1190, r1= 0, r2= 0, r3= 6.615, r4= 7.29,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1150,1151,1152,1154,1155,1156,
&end
#
#  73  LEU QD  76  GLN HA
 &rst iat= -1,1192, r1= 0, r2= 0, r3= 5.805, r4= 6.48,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1150,1151,1152,1154,1155,1156,
&end
#
#  73  LEU QD  76  GLN QB
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.4432, r4= 6.1992,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1150,1151,1152,1154,1155,1156,
igr2= 1194,1195,
&end
#
#  73  LEU QD  76  GLN QG
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.6528, r4= 7.4088,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1150,1151,1152,1154,1155,1156,
igr2= 1197,1198,
&end
#
#  73  LEU QD  76  GLN QE
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 7.4088, r4= 8.1648,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1150,1151,1152,1154,1155,1156,
igr2= 1202,1203,
&end
#
#  74  PHE H  74  PHE QD
 &rst iat= 1160, -1, r1= 0, r2= 0, r3= 4.928, r4= 5.488,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1168,1176,
&end
#
#  74  PHE HA  74  PHE QD
 &rst iat= 1162, -1, r1= 0, r2= 0, r3= 3.92, r4= 4.48,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1168,1176,
&end
#
#  74  PHE HA  74  PHE QE
 &rst iat= 1162, -1, r1= 0, r2= 0, r3= 5.152, r4= 5.712,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1170,1174,
&end
#
#  74  PHE QD  74  PHE HZ
 &rst iat= -1,1172, r1= 0, r2= 0, r3= 4.816, r4= 5.376,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1168,1176,
&end
#
#  74  PHE H  75  ALA H
 &rst iat= 1160,1180, r1= 0, r2= 0, r3= 4, r4= 4.5,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  74  PHE H  75  ALA HA
 &rst iat= 1160,1182, r1= 0, r2= 0, r3= 5, r4= 5.5,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  74  PHE H  75  ALA QB
 &rst iat= 1160, -1, r1= 0, r2= 0, r3= 6.6, r4= 7.2,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1184,1185,1186,
&end
#
#  74  PHE HA  75  ALA QB
 &rst iat= 1162, -1, r1= 0, r2= 0, r3= 6.6, r4= 7.2,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1184,1185,1186,
&end
#
#  74  PHE QB  75  ALA H
 &rst iat= -1,1180, r1= 0, r2= 0, r3= 4.816, r4= 5.376,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1164,1165,
&end
#
#  74  PHE QB  75  ALA QB
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 7.2576, r4= 7.9296,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1164,1165,
igr2= 1184,1185,1186,
&end
#
#  74  PHE QD  75  ALA H
 &rst iat= -1,1180, r1= 0, r2= 0, r3= 4.368, r4= 4.928,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1168,1176,
&end
#
#  74  PHE QD  75  ALA HA
 &rst iat= -1,1182, r1= 0, r2= 0, r3= 5.6, r4= 6.16,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1168,1176,
&end
#
#  74  PHE QD  75  ALA QB
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 4.4352, r4= 5.1072,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1168,1176,
igr2= 1184,1185,1186,
&end
#
#  74  PHE QE  75  ALA H
 &rst iat= -1,1180, r1= 0, r2= 0, r3= 6.496, r4= 7.056,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1170,1174,
&end
#
#  74  PHE QE  75  ALA QB
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 4.9728, r4= 5.6448,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1170,1174,
igr2= 1184,1185,1186,
&end
#
#  74  PHE HZ  75  ALA QB
 &rst iat= 1172, -1, r1= 0, r2= 0, r3= 6.48, r4= 7.08,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1184,1185,1186,
&end
#
#  74  PHE QE  101  ILE QD1
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.048, r4= 6.72,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1170,1174,
igr2= 1596,1597,1598,
&end
#
#  74  PHE HZ  101  ILE QD1
 &rst iat= 1172, -1, r1= 0, r2= 0, r3= 7.08, r4= 7.68,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1596,1597,1598,
&end
#
#  74  PHE QD  111  ILE QD1
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.9888, r4= 7.6608,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1168,1176,
igr2= 1737,1738,1739,
&end
#
#  74  PHE QE  111  ILE QG2
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 7.392, r4= 8.064,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1170,1174,
igr2= 1730,1731,1732,
&end
#
#  74  PHE QE  111  ILE QD1
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.1072, r4= 5.7792,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1170,1174,
igr2= 1737,1738,1739,
&end
#
#  74  PHE HZ  111  ILE HB
 &rst iat= 1172,1728, r1= 0, r2= 0, r3= 5.3, r4= 5.8,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  74  PHE HZ  111  ILE QD1
 &rst iat= 1172, -1, r1= 0, r2= 0, r3= 6.6, r4= 7.2,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1737,1738,1739,
&end
#
#  75  ALA H  75  ALA QB
 &rst iat= 1180, -1, r1= 0, r2= 0, r3= 4.68, r4= 5.28,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1184,1185,1186,
&end
#
#  75  ALA H  76  GLN H
 &rst iat= 1180,1190, r1= 0, r2= 0, r3= 5.4, r4= 5.9,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  75  ALA H  76  GLN HA
 &rst iat= 1180,1192, r1= 0, r2= 0, r3= 5.8, r4= 6.3,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  75  ALA HA  76  GLN H
 &rst iat= 1182,1190, r1= 0, r2= 0, r3= 3, r4= 3.5,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  75  ALA HA  76  GLN HA
 &rst iat= 1182,1192, r1= 0, r2= 0, r3= 4.9, r4= 5.4,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  75  ALA HA  76  GLN QB
 &rst iat= 1182, -1, r1= 0, r2= 0, r3= 5.712, r4= 6.272,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1194,1195,
&end
#
#  75  ALA HA  76  GLN QG
 &rst iat= 1182, -1, r1= 0, r2= 0, r3= 5.824, r4= 6.384,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1197,1198,
&end
#
#  75  ALA QB  76  GLN H
 &rst iat= -1,1190, r1= 0, r2= 0, r3= 3.84, r4= 4.44,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1184,1185,1186,
&end
#
#  75  ALA QB  76  GLN HA
 &rst iat= -1,1192, r1= 0, r2= 0, r3= 5.76, r4= 6.36,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1184,1185,1186,
&end
#
#  75  ALA QB  76  GLN QB
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 8.064, r4= 8.736,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1184,1185,1186,
igr2= 1194,1195,
&end
#
#  75  ALA QB  76  GLN QG
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 7.6608, r4= 8.3328,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1184,1185,1186,
igr2= 1197,1198,
&end
#
#  75  ALA QB  77  ALA QB
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.48, r4= 7.2,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1184,1185,1186,
igr2= 1211,1212,1213,
&end
#
#  75  ALA QB  99  ILE QD1
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 7.056, r4= 7.776,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1184,1185,1186,
igr2= 1553,1554,1555,
&end
#
#  75  ALA HA  101  ILE HB
 &rst iat= 1182,1587, r1= 0, r2= 0, r3= 5, r4= 5.5,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  75  ALA HA  101  ILE QG2
 &rst iat= 1182, -1, r1= 0, r2= 0, r3= 5.52, r4= 6.12,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1589,1590,1591,
&end
#
#  75  ALA HA  101  ILE QD1
 &rst iat= 1182, -1, r1= 0, r2= 0, r3= 5.76, r4= 6.36,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1596,1597,1598,
&end
#
#  75  ALA QB  101  ILE HA
 &rst iat= -1,1585, r1= 0, r2= 0, r3= 6.36, r4= 6.96,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1184,1185,1186,
&end
#
#  75  ALA QB  101  ILE HB
 &rst iat= -1,1587, r1= 0, r2= 0, r3= 4.68, r4= 5.28,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1184,1185,1186,
&end
#
#  75  ALA QB  101  ILE QG1
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 4.704, r4= 5.376,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1184,1185,1186,
igr2= 1593,1594,
&end
#
#  75  ALA QB  101  ILE QG2
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 4.752, r4= 5.472,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1184,1185,1186,
igr2= 1589,1590,1591,
&end
#
#  75  ALA QB  101  ILE QD1
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.04, r4= 5.76,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1184,1185,1186,
igr2= 1596,1597,1598,
&end
#
#  75  ALA HA  102  GLN H
 &rst iat= 1182,1602, r1= 0, r2= 0, r3= 6, r4= 6.5,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  75  ALA QB  102  GLN H
 &rst iat= -1,1602, r1= 0, r2= 0, r3= 5.76, r4= 6.36,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1184,1185,1186,
&end
#
#  76  GLN H  76  GLN QG
 &rst iat= 1190, -1, r1= 0, r2= 0, r3= 4.816, r4= 5.376,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1197,1198,
&end
#
#  76  GLN H  76  GLN QE
 &rst iat= 1190, -1, r1= 0, r2= 0, r3= 6.72, r4= 7.28,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1202,1203,
&end
#
#  76  GLN QB  76  GLN QG
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 3.26144, r4= 3.88864,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1194,1195,
igr2= 1197,1198,
&end
#
#  76  GLN QB  76  GLN QE
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.6448, r4= 6.272,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1194,1195,
igr2= 1202,1203,
&end
#
#  76  GLN H  77  ALA H
 &rst iat= 1190,1207, r1= 0, r2= 0, r3= 5, r4= 5.5,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  76  GLN H  77  ALA HA
 &rst iat= 1190,1209, r1= 0, r2= 0, r3= 6, r4= 6.5,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  76  GLN H  77  ALA QB
 &rst iat= 1190, -1, r1= 0, r2= 0, r3= 6.72, r4= 7.32,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1211,1212,1213,
&end
#
#  76  GLN HA  77  ALA H
 &rst iat= 1192,1207, r1= 0, r2= 0, r3= 3.3, r4= 3.8,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  76  GLN HA  77  ALA QB
 &rst iat= 1192, -1, r1= 0, r2= 0, r3= 5.76, r4= 6.36,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1211,1212,1213,
&end
#
#  76  GLN QB  77  ALA H
 &rst iat= -1,1207, r1= 0, r2= 0, r3= 4.816, r4= 5.376,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1194,1195,
&end
#
#  76  GLN QB  77  ALA HA
 &rst iat= -1,1209, r1= 0, r2= 0, r3= 6.72, r4= 7.28,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1194,1195,
&end
#
#  76  GLN QB  77  ALA QB
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 7.2576, r4= 7.9296,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1194,1195,
igr2= 1211,1212,1213,
&end
#
#  76  GLN QG  77  ALA H
 &rst iat= -1,1207, r1= 0, r2= 0, r3= 5.376, r4= 5.936,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1197,1198,
&end
#
#  76  GLN QG  77  ALA HA
 &rst iat= -1,1209, r1= 0, r2= 0, r3= 6.048, r4= 6.608,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1197,1198,
&end
#
#  76  GLN QG  77  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= 1197,1198,
igr2= 1211,1212,1213,
&end
#
#  76  GLN H  99  ILE QD1
 &rst iat= 1190, -1, r1= 0, r2= 0, r3= 7.2, r4= 7.8,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1553,1554,1555,
&end
#
#  76  GLN HA  99  ILE QD1
 &rst iat= 1192, -1, r1= 0, r2= 0, r3= 7.2, r4= 7.8,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1553,1554,1555,
&end
#
#  76  GLN H  101  ILE HB
 &rst iat= 1190,1587, r1= 0, r2= 0, r3= 4.6, r4= 5.1,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  76  GLN H  101  ILE QG2
 &rst iat= 1190, -1, r1= 0, r2= 0, r3= 4.92, r4= 5.52,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1589,1590,1591,
&end
#
#  76  GLN H  101  ILE QD1
 &rst iat= 1190, -1, r1= 0, r2= 0, r3= 5.16, r4= 5.76,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1596,1597,1598,
&end
#
#  76  GLN HA  101  ILE QG2
 &rst iat= 1192, -1, r1= 0, r2= 0, r3= 6.36, r4= 6.96,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1589,1590,1591,
&end
#
#  76  GLN QB  101  ILE QG2
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 7.1232, r4= 7.7952,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1194,1195,
igr2= 1589,1590,1591,
&end
#
#  76  GLN QG  101  ILE HA
 &rst iat= -1,1585, r1= 0, r2= 0, r3= 6.048, r4= 6.608,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1197,1198,
&end
#
#  76  GLN QG  101  ILE QG2
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 7.7952, r4= 8.4672,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1197,1198,
igr2= 1589,1590,1591,
&end
#
#  76  GLN H  102  GLN H
 &rst iat= 1190,1602, r1= 0, r2= 0, r3= 5, r4= 5.5,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  76  GLN QG  102  GLN H
 &rst iat= -1,1602, r1= 0, r2= 0, r3= 6.272, r4= 6.832,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1197,1198,
&end
#
#  77  ALA H  77  ALA QB
 &rst iat= 1207, -1, r1= 0, r2= 0, r3= 4.44, r4= 5.04,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1211,1212,1213,
&end
#
#  77  ALA H  78  PRO QD
 &rst iat= 1207, -1, r1= 0, r2= 0, r3= 5.824, r4= 6.384,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1218,1219,
&end
#
#  77  ALA HA  78  PRO QB
 &rst iat= 1209, -1, r1= 0, r2= 0, r3= 6.608, r4= 7.168,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1224,1225,
&end
#
#  77  ALA HA  78  PRO QG
 &rst iat= 1209, -1, r1= 0, r2= 0, r3= 5.04, r4= 5.6,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1221,1222,
&end
#
#  77  ALA HA  78  PRO QD
 &rst iat= 1209, -1, r1= 0, r2= 0, r3= 4.368, r4= 4.928,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1218,1219,
&end
#
#  77  ALA QB  78  PRO HA
 &rst iat= -1,1227, r1= 0, r2= 0, r3= 6.24, r4= 6.84,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1211,1212,1213,
&end
#
#  77  ALA QB  78  PRO QD
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.1824, r4= 6.8544,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1211,1212,1213,
igr2= 1218,1219,
&end
#
#  77  ALA QB  79  VAL H
 &rst iat= -1,1231, r1= 0, r2= 0, r3= 6.48, r4= 7.08,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1211,1212,1213,
&end
#
#  77  ALA QB  79  VAL QG
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 7.776, r4= 8.586,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1211,1212,1213,
igr2= 1237,1238,1239,1241,1242,1243,
&end
#
#  77  ALA QB  86  ALA QB
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 7.344, r4= 8.064,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1211,1212,1213,
igr2= 1344,1345,1346,
&end
#
#  77  ALA QB  87  VAL H
 &rst iat= -1,1350, r1= 0, r2= 0, r3= 7.2, r4= 7.8,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1211,1212,1213,
&end
#
#  77  ALA QB  87  VAL HB
 &rst iat= -1,1354, r1= 0, r2= 0, r3= 7.2, r4= 7.8,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1211,1212,1213,
&end
#
#  77  ALA QB  87  VAL QG
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 8.586, r4= 9.396,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1211,1212,1213,
igr2= 1356,1357,1358,1360,1361,1362,
&end
#
#  77  ALA H  99  ILE QG2
 &rst iat= 1207, -1, r1= 0, r2= 0, r3= 7.2, r4= 7.8,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1546,1547,1548,
&end
#
#  77  ALA H  99  ILE QD1
 &rst iat= 1207, -1, r1= 0, r2= 0, r3= 6, r4= 6.6,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1553,1554,1555,
&end
#
#  77  ALA HA  99  ILE QD1
 &rst iat= 1209, -1, r1= 0, r2= 0, r3= 6.36, r4= 6.96,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1553,1554,1555,
&end
#
#  77  ALA QB  99  ILE H
 &rst iat= -1,1540, r1= 0, r2= 0, r3= 6.36, r4= 6.96,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1211,1212,1213,
&end
#
#  77  ALA QB  99  ILE HA
 &rst iat= -1,1542, r1= 0, r2= 0, r3= 6, r4= 6.6,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1211,1212,1213,
&end
#
#  77  ALA QB  99  ILE HB
 &rst iat= -1,1544, r1= 0, r2= 0, r3= 4.8, r4= 5.4,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1211,1212,1213,
&end
#
#  77  ALA QB  99  ILE QG1
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.5104, r4= 6.1824,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1211,1212,1213,
igr2= 1550,1551,
&end
#
#  77  ALA QB  99  ILE QG2
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.048, r4= 6.768,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1211,1212,1213,
igr2= 1546,1547,1548,
&end
#
#  77  ALA QB  99  ILE QD1
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.184, r4= 5.904,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1211,1212,1213,
igr2= 1553,1554,1555,
&end
#
#  77  ALA QB  100  ARG H
 &rst iat= -1,1559, r1= 0, r2= 0, r3= 5.64, r4= 6.24,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1211,1212,1213,
&end
#
#  77  ALA QB  100  ARG QB
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 7.6608, r4= 8.3328,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1211,1212,1213,
igr2= 1563,1564,
&end
#
#  77  ALA QB  100  ARG QD
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.2416, r4= 5.9136,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1211,1212,1213,
igr2= 1569,1570,
&end
#
#  77  ALA H  101  ILE HA
 &rst iat= 1207,1585, r1= 0, r2= 0, r3= 5.5, r4= 6,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  77  ALA H  101  ILE HB
 &rst iat= 1207,1587, r1= 0, r2= 0, r3= 6, r4= 6.5,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  77  ALA H  101  ILE QG2
 &rst iat= 1207, -1, r1= 0, r2= 0, r3= 5.88, r4= 6.48,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1589,1590,1591,
&end
#
#  77  ALA HA  101  ILE HA
 &rst iat= 1209,1585, r1= 0, r2= 0, r3= 3.9, r4= 4.4,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  77  ALA HA  101  ILE HB
 &rst iat= 1209,1587, r1= 0, r2= 0, r3= 4.6, r4= 5.1,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  77  ALA HA  101  ILE QG2
 &rst iat= 1209, -1, r1= 0, r2= 0, r3= 5.28, r4= 5.88,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1589,1590,1591,
&end
#
#  77  ALA HA  101  ILE QD1
 &rst iat= 1209, -1, r1= 0, r2= 0, r3= 6.84, r4= 7.44,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1596,1597,1598,
&end
#
#  77  ALA QB  101  ILE H
 &rst iat= -1,1583, r1= 0, r2= 0, r3= 6.24, r4= 6.84,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1211,1212,1213,
&end
#
#  77  ALA QB  101  ILE HA
 &rst iat= -1,1585, r1= 0, r2= 0, r3= 4.92, r4= 5.52,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1211,1212,1213,
&end
#
#  77  ALA QB  101  ILE QG1
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.3168, r4= 6.9888,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1211,1212,1213,
igr2= 1593,1594,
&end
#
#  77  ALA QB  101  ILE QG2
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.472, r4= 6.192,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1211,1212,1213,
igr2= 1589,1590,1591,
&end
#
#  77  ALA QB  101  ILE QD1
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 7.776, r4= 8.496,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1211,1212,1213,
igr2= 1596,1597,1598,
&end
#
#  77  ALA H  102  GLN H
 &rst iat= 1207,1602, r1= 0, r2= 0, r3= 5.8, r4= 6.3,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  77  ALA HA  102  GLN H
 &rst iat= 1209,1602, r1= 0, r2= 0, r3= 4.2, r4= 4.7,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  77  ALA HA  102  GLN QB
 &rst iat= 1209, -1, r1= 0, r2= 0, r3= 5.712, r4= 6.272,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1606,1607,
&end
#
#  77  ALA QB  102  GLN H
 &rst iat= -1,1602, r1= 0, r2= 0, r3= 5.64, r4= 6.24,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1211,1212,1213,
&end
#
#  78  PRO HA  79  VAL H
 &rst iat= 1227,1231, r1= 0, r2= 0, r3= 3.5, r4= 4,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  78  PRO HA  79  VAL QG
 &rst iat= 1227, -1, r1= 0, r2= 0, r3= 6.075, r4= 6.75,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1237,1238,1239,1241,1242,1243,
&end
#
#  78  PRO QB  79  VAL H
 &rst iat= -1,1231, r1= 0, r2= 0, r3= 4.592, r4= 5.152,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1224,1225,
&end
#
#  78  PRO QB  79  VAL QG
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 8.1648, r4= 8.9208,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1224,1225,
igr2= 1237,1238,1239,1241,1242,1243,
&end
#
#  78  PRO QG  79  VAL H
 &rst iat= -1,1231, r1= 0, r2= 0, r3= 5.936, r4= 6.496,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1221,1222,
&end
#
#  78  PRO QB  86  ALA QB
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 7.2576, r4= 7.9296,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1224,1225,
igr2= 1344,1345,1346,
&end
#
#  78  PRO QG  100  ARG QD
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.64832, r4= 7.27552,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1221,1222,
igr2= 1569,1570,
&end
#
#  78  PRO QD  101  ILE HA
 &rst iat= -1,1585, r1= 0, r2= 0, r3= 5.152, r4= 5.712,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1218,1219,
&end
#
#  78  PRO QD  101  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= 1218,1219,
igr2= 1589,1590,1591,
&end
#
#  78  PRO QD  102  GLN H
 &rst iat= -1,1602, r1= 0, r2= 0, r3= 4.928, r4= 5.488,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1218,1219,
&end
#
#  78  PRO QD  102  GLN QB
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.14656, r4= 6.77376,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1218,1219,
igr2= 1606,1607,
&end
#
#  79  VAL H  79  VAL HB
 &rst iat= 1231,1235, r1= 0, r2= 0, r3= 4.2, r4= 4.7,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  79  VAL H  79  VAL QG
 &rst iat= 1231, -1, r1= 0, r2= 0, r3= 4.725, r4= 5.4,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1237,1238,1239,1241,1242,1243,
&end
#
#  79  VAL HA  79  VAL QG
 &rst iat= 1233, -1, r1= 0, r2= 0, r3= 4.86, r4= 5.535,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1237,1238,1239,1241,1242,1243,
&end
#
#  79  VAL H  80  GLU H
 &rst iat= 1231,1247, r1= 0, r2= 0, r3= 5, r4= 5.5,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  79  VAL HA  80  GLU H
 &rst iat= 1233,1247, r1= 0, r2= 0, r3= 3.4, r4= 3.9,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  79  VAL HA  80  GLU QB
 &rst iat= 1233, -1, r1= 0, r2= 0, r3= 6.496, r4= 7.056,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1251,1252,
&end
#
#  79  VAL HA  80  GLU QG
 &rst iat= 1233, -1, r1= 0, r2= 0, r3= 6.384, r4= 6.944,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1254,1255,
&end
#
#  79  VAL QG  80  GLU H
 &rst iat= -1,1247, r1= 0, r2= 0, r3= 5.13, r4= 5.805,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1237,1238,1239,1241,1242,1243,
&end
#
#  79  VAL QG  80  GLU HA
 &rst iat= -1,1249, r1= 0, r2= 0, r3= 6.48, r4= 7.155,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1237,1238,1239,1241,1242,1243,
&end
#
#  79  VAL QG  80  GLU QB
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 9.072, r4= 9.828,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1237,1238,1239,1241,1242,1243,
igr2= 1251,1252,
&end
#
#  79  VAL QG  80  GLU QG
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 8.6184, r4= 9.3744,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1237,1238,1239,1241,1242,1243,
igr2= 1254,1255,
&end
#
#  79  VAL H  81  GLN H
 &rst iat= 1231,1262, r1= 0, r2= 0, r3= 5.7, r4= 6.2,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  79  VAL HA  81  GLN H
 &rst iat= 1233,1262, r1= 0, r2= 0, r3= 3.9, r4= 4.4,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  79  VAL HB  81  GLN H
 &rst iat= 1235,1262, r1= 0, r2= 0, r3= 4.8, r4= 5.3,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  79  VAL HB  81  GLN QE
 &rst iat= 1235, -1, r1= 0, r2= 0, r3= 6.496, r4= 7.056,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1274,1275,
&end
#
#  79  VAL QG  81  GLN H
 &rst iat= -1,1262, r1= 0, r2= 0, r3= 4.455, r4= 5.13,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1237,1238,1239,1241,1242,1243,
&end
#
#  79  VAL QG  81  GLN HA
 &rst iat= -1,1264, r1= 0, r2= 0, r3= 6.615, r4= 7.29,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1237,1238,1239,1241,1242,1243,
&end
#
#  79  VAL QG  81  GLN QE
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 7.56, r4= 8.316,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1237,1238,1239,1241,1242,1243,
igr2= 1274,1275,
&end
#
#  79  VAL QG  82  TYR H
 &rst iat= -1,1279, r1= 0, r2= 0, r3= 7.02, r4= 7.695,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1237,1238,1239,1241,1242,1243,
&end
#
#  79  VAL QG  82  TYR HA
 &rst iat= -1,1281, r1= 0, r2= 0, r3= 7.02, r4= 7.695,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1237,1238,1239,1241,1242,1243,
&end
#
#  79  VAL QG  82  TYR QB
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.3504, r4= 7.1064,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1237,1238,1239,1241,1242,1243,
igr2= 1283,1284,
&end
#
#  79  VAL QG  82  TYR QD
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.7456, r4= 6.5016,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1237,1238,1239,1241,1242,1243,
igr2= 1287,1296,
&end
#
#  79  VAL QG  82  TYR QE
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 7.1064, r4= 7.8624,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1237,1238,1239,1241,1242,1243,
igr2= 1289,1294,
&end
#
#  79  VAL QG  84  GLY H
 &rst iat= -1,1314, r1= 0, r2= 0, r3= 8.1, r4= 8.775,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1237,1238,1239,1241,1242,1243,
&end
#
#  79  VAL QG  85  ILE H
 &rst iat= -1,1321, r1= 0, r2= 0, r3= 7.695, r4= 8.37,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1237,1238,1239,1241,1242,1243,
&end
#
#  79  VAL QG  85  ILE QG2
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 9.396, r4= 10.206,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1237,1238,1239,1241,1242,1243,
igr2= 1327,1328,1329,
&end
#
#  79  VAL H  86  ALA QB
 &rst iat= 1231, -1, r1= 0, r2= 0, r3= 6.12, r4= 6.72,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1344,1345,1346,
&end
#
#  79  VAL HA  86  ALA QB
 &rst iat= 1233, -1, r1= 0, r2= 0, r3= 4.32, r4= 4.92,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1344,1345,1346,
&end
#
#  79  VAL HB  86  ALA QB
 &rst iat= 1235, -1, r1= 0, r2= 0, r3= 4.8, r4= 5.4,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1344,1345,1346,
&end
#
#  79  VAL QG  86  ALA H
 &rst iat= -1,1340, r1= 0, r2= 0, r3= 7.29, r4= 7.965,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1237,1238,1239,1241,1242,1243,
&end
#
#  79  VAL QG  86  ALA HA
 &rst iat= -1,1342, r1= 0, r2= 0, r3= 7.155, r4= 7.83,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1237,1238,1239,1241,1242,1243,
&end
#
#  79  VAL QG  86  ALA QB
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.994, r4= 6.804,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1237,1238,1239,1241,1242,1243,
igr2= 1344,1345,1346,
&end
#
#  79  VAL HA  87  VAL QG
 &rst iat= 1233, -1, r1= 0, r2= 0, r3= 6.75, r4= 7.425,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1356,1357,1358,1360,1361,1362,
&end
#
#  79  VAL HB  87  VAL H
 &rst iat= 1235,1350, r1= 0, r2= 0, r3= 6, r4= 6.5,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  79  VAL HB  87  VAL HB
 &rst iat= 1235,1354, r1= 0, r2= 0, r3= 5.1, r4= 5.6,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  79  VAL HB  87  VAL QG
 &rst iat= 1235, -1, r1= 0, r2= 0, r3= 7.29, r4= 7.965,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1356,1357,1358,1360,1361,1362,
&end
#
#  79  VAL QG  87  VAL H
 &rst iat= -1,1350, r1= 0, r2= 0, r3= 7.425, r4= 8.1,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1237,1238,1239,1241,1242,1243,
&end
#
#  79  VAL QG  87  VAL HA
 &rst iat= -1,1352, r1= 0, r2= 0, r3= 7.425, r4= 8.1,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1237,1238,1239,1241,1242,1243,
&end
#
#  79  VAL QG  87  VAL HB
 &rst iat= -1,1354, r1= 0, r2= 0, r3= 5.805, r4= 6.48,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1237,1238,1239,1241,1242,1243,
&end
#
#  79  VAL QG  87  VAL QG
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.1965, r4= 7.10775,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1237,1238,1239,1241,1242,1243,
igr2= 1356,1357,1358,1360,1361,1362,
&end
#
#  79  VAL HB  128  LEU QD
 &rst iat= 1235, -1, r1= 0, r2= 0, r3= 6.075, r4= 6.75,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1977,1978,1979,1981,1982,1983,
&end
#
#  79  VAL QG  128  LEU QB
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 7.2576, r4= 8.0136,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1237,1238,1239,1241,1242,1243,
igr2= 1972,1973,
&end
#
#  79  VAL QG  128  LEU HG
 &rst iat= -1,1975, r1= 0, r2= 0, r3= 6.75, r4= 7.425,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1237,1238,1239,1241,1242,1243,
&end
#
#  79  VAL QG  128  LEU QD
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 7.83675, r4= 8.748,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1237,1238,1239,1241,1242,1243,
igr2= 1977,1978,1979,1981,1982,1983,
&end
#
#  79  VAL HA  132  PHE HZ
 &rst iat= 1233,2045, r1= 0, r2= 0, r3= 5, r4= 5.5,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  79  VAL HB  132  PHE QE
 &rst iat= 1235, -1, r1= 0, r2= 0, r3= 6.72, r4= 7.28,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 2043,2047,
&end
#
#  79  VAL QG  132  PHE QD
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.9552, r4= 7.7112,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1237,1238,1239,1241,1242,1243,
igr2= 2041,2049,
&end
#
#  79  VAL QG  132  PHE QE
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.4432, r4= 6.1992,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1237,1238,1239,1241,1242,1243,
igr2= 2043,2047,
&end
#
#  79  VAL QG  132  PHE HZ
 &rst iat= -1,2045, r1= 0, r2= 0, r3= 5.265, r4= 5.94,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1237,1238,1239,1241,1242,1243,
&end
#
#  80  GLU H  80  GLU QB
 &rst iat= 1247, -1, r1= 0, r2= 0, r3= 4.144, r4= 4.704,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1251,1252,
&end
#
#  80  GLU HA  80  GLU QG
 &rst iat= 1249, -1, r1= 0, r2= 0, r3= 3.248, r4= 3.808,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1254,1255,
&end
#
#  80  GLU H  81  GLN H
 &rst iat= 1247,1262, r1= 0, r2= 0, r3= 3.3, r4= 3.8,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  80  GLU H  81  GLN HA
 &rst iat= 1247,1264, r1= 0, r2= 0, r3= 4.8, r4= 5.3,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  80  GLU H  81  GLN QG
 &rst iat= 1247, -1, r1= 0, r2= 0, r3= 5.712, r4= 6.272,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1269,1270,
&end
#
#  80  GLU H  81  GLN QE
 &rst iat= 1247, -1, r1= 0, r2= 0, r3= 6.72, r4= 7.28,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1274,1275,
&end
#
#  80  GLU HA  81  GLN HA
 &rst iat= 1249,1264, r1= 0, r2= 0, r3= 5.1, r4= 5.6,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  80  GLU QB  81  GLN H
 &rst iat= -1,1262, r1= 0, r2= 0, r3= 4.48, r4= 5.04,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1251,1252,
&end
#
#  80  GLU QB  81  GLN QE
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.39744, r4= 7.02464,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1251,1252,
igr2= 1274,1275,
&end
#
#  80  GLU H  85  ILE QG2
 &rst iat= 1247, -1, r1= 0, r2= 0, r3= 7.2, r4= 7.8,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1327,1328,1329,
&end
#
#  80  GLU H  86  ALA QB
 &rst iat= 1247, -1, r1= 0, r2= 0, r3= 5.04, r4= 5.64,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1344,1345,1346,
&end
#
#  80  GLU HA  86  ALA QB
 &rst iat= 1249, -1, r1= 0, r2= 0, r3= 6.96, r4= 7.56,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1344,1345,1346,
&end
#
#  80  GLU QB  86  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= 1251,1252,
igr2= 1344,1345,1346,
&end
#
#  80  GLU H  87  VAL QG
 &rst iat= 1247, -1, r1= 0, r2= 0, r3= 8.1, r4= 8.775,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1356,1357,1358,1360,1361,1362,
&end
#
#  80  GLU H  132  PHE HZ
 &rst iat= 1247,2045, r1= 0, r2= 0, r3= 5.7, r4= 6.2,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  80  GLU HA  132  PHE QD
 &rst iat= 1249, -1, r1= 0, r2= 0, r3= 5.936, r4= 6.496,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 2041,2049,
&end
#
#  80  GLU HA  132  PHE QE
 &rst iat= 1249, -1, r1= 0, r2= 0, r3= 5.488, r4= 6.048,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 2043,2047,
&end
#
#  80  GLU HA  132  PHE HZ
 &rst iat= 1249,2045, r1= 0, r2= 0, r3= 4.9, r4= 5.4,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  80  GLU QB  132  PHE QE
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 7.5264, r4= 8.1536,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1251,1252,
igr2= 2043,2047,
&end
#
#  80  GLU QB  132  PHE HZ
 &rst iat= -1,2045, r1= 0, r2= 0, r3= 5.936, r4= 6.496,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1251,1252,
&end
#
#  80  GLU QG  132  PHE QE
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.64832, r4= 7.27552,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1254,1255,
igr2= 2043,2047,
&end
#
#  80  GLU QG  132  PHE HZ
 &rst iat= -1,2045, r1= 0, r2= 0, r3= 6.72, r4= 7.28,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1254,1255,
&end
#
#  81  GLN H  81  GLN QB
 &rst iat= 1262, -1, r1= 0, r2= 0, r3= 4.032, r4= 4.592,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1266,1267,
&end
#
#  81  GLN H  81  GLN QE
 &rst iat= 1262, -1, r1= 0, r2= 0, r3= 5.04, r4= 5.6,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1274,1275,
&end
#
#  81  GLN HA  81  GLN QE
 &rst iat= 1264, -1, r1= 0, r2= 0, r3= 6.048, r4= 6.608,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1274,1275,
&end
#
#  81  GLN QB  81  GLN QE
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 7.40096, r4= 8.02816,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1266,1267,
igr2= 1274,1275,
&end
#
#  81  GLN H  82  TYR H
 &rst iat= 1262,1279, r1= 0, r2= 0, r3= 4.1, r4= 4.6,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  81  GLN H  82  TYR HA
 &rst iat= 1262,1281, r1= 0, r2= 0, r3= 6, r4= 6.5,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  81  GLN H  82  TYR QB
 &rst iat= 1262, -1, r1= 0, r2= 0, r3= 5.264, r4= 5.824,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1283,1284,
&end
#
#  81  GLN HA  82  TYR H
 &rst iat= 1264,1279, r1= 0, r2= 0, r3= 2.9, r4= 3.4,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  81  GLN HA  82  TYR HA
 &rst iat= 1264,1281, r1= 0, r2= 0, r3= 4.5, r4= 5,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  81  GLN HA  82  TYR QB
 &rst iat= 1264, -1, r1= 0, r2= 0, r3= 5.488, r4= 6.048,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1283,1284,
&end
#
#  81  GLN QB  82  TYR H
 &rst iat= -1,1279, r1= 0, r2= 0, r3= 4.032, r4= 4.592,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1266,1267,
&end
#
#  81  GLN QE  82  TYR H
 &rst iat= -1,1279, r1= 0, r2= 0, r3= 5.936, r4= 6.496,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1274,1275,
&end
#
#  81  GLN QE  82  TYR HA
 &rst iat= -1,1281, r1= 0, r2= 0, r3= 6.72, r4= 7.28,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1274,1275,
&end
#
#  81  GLN QB  84  GLY QA
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.02112, r4= 6.64832,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1266,1267,
igr2= 1316,1317,
&end
#
#  81  GLN QE  84  GLY H
 &rst iat= -1,1314, r1= 0, r2= 0, r3= 6.384, r4= 6.944,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1274,1275,
&end
#
#  81  GLN QE  84  GLY QA
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.8992, r4= 7.5264,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1274,1275,
igr2= 1316,1317,
&end
#
#  81  GLN H  85  ILE QG2
 &rst iat= 1262, -1, r1= 0, r2= 0, r3= 7.2, r4= 7.8,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1327,1328,1329,
&end
#
#  81  GLN QE  85  ILE H
 &rst iat= -1,1321, r1= 0, r2= 0, r3= 6.72, r4= 7.28,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1274,1275,
&end
#
#  81  GLN H  86  ALA H
 &rst iat= 1262,1340, r1= 0, r2= 0, r3= 6, r4= 6.5,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  81  GLN H  86  ALA QB
 &rst iat= 1262, -1, r1= 0, r2= 0, r3= 5.4, r4= 6,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1344,1345,1346,
&end
#
#  81  GLN QB  86  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= 1266,1267,
igr2= 1344,1345,1346,
&end
#
#  81  GLN H  87  VAL QG
 &rst iat= 1262, -1, r1= 0, r2= 0, r3= 6.75, r4= 7.425,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1356,1357,1358,1360,1361,1362,
&end
#
#  81  GLN QE  87  VAL H
 &rst iat= -1,1350, r1= 0, r2= 0, r3= 6.608, r4= 7.168,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1274,1275,
&end
#
#  81  GLN H  132  PHE HZ
 &rst iat= 1262,2045, r1= 0, r2= 0, r3= 3.8, r4= 4.3,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  81  GLN HA  132  PHE QD
 &rst iat= 1264, -1, r1= 0, r2= 0, r3= 4.592, r4= 5.152,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 2041,2049,
&end
#
#  81  GLN HA  132  PHE QE
 &rst iat= 1264, -1, r1= 0, r2= 0, r3= 4.704, r4= 5.264,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 2043,2047,
&end
#
#  81  GLN HA  132  PHE HZ
 &rst iat= 1264,2045, r1= 0, r2= 0, r3= 5, r4= 5.5,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  81  GLN QB  132  PHE QE
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.77376, r4= 7.40096,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1266,1267,
igr2= 2043,2047,
&end
#
#  81  GLN QB  132  PHE HZ
 &rst iat= -1,2045, r1= 0, r2= 0, r3= 6.72, r4= 7.28,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1266,1267,
&end
#
#  81  GLN QE  132  PHE HZ
 &rst iat= -1,2045, r1= 0, r2= 0, r3= 6.72, r4= 7.28,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1274,1275,
&end
#
#  82  TYR H  82  TYR QB
 &rst iat= 1279, -1, r1= 0, r2= 0, r3= 4.144, r4= 4.704,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1283,1284,
&end
#
#  82  TYR H  82  TYR QD
 &rst iat= 1279, -1, r1= 0, r2= 0, r3= 5.04, r4= 5.6,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1287,1296,
&end
#
#  82  TYR HA  82  TYR QD
 &rst iat= 1281, -1, r1= 0, r2= 0, r3= 3.92, r4= 4.48,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1287,1296,
&end
#
#  82  TYR HA  82  TYR QE
 &rst iat= 1281, -1, r1= 0, r2= 0, r3= 5.152, r4= 5.712,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1289,1294,
&end
#
#  82  TYR H  83  PRO QD
 &rst iat= 1279, -1, r1= 0, r2= 0, r3= 6.608, r4= 7.168,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1301,1302,
&end
#
#  82  TYR HA  83  PRO HA
 &rst iat= 1281,1310, r1= 0, r2= 0, r3= 4.9, r4= 5.4,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  82  TYR HA  83  PRO QB
 &rst iat= 1281, -1, r1= 0, r2= 0, r3= 5.936, r4= 6.496,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1307,1308,
&end
#
#  82  TYR HA  83  PRO QG
 &rst iat= 1281, -1, r1= 0, r2= 0, r3= 5.712, r4= 6.272,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1304,1305,
&end
#
#  82  TYR QB  83  PRO HA
 &rst iat= -1,1310, r1= 0, r2= 0, r3= 5.488, r4= 6.048,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1283,1284,
&end
#
#  82  TYR QB  83  PRO QD
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.64832, r4= 7.27552,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1283,1284,
igr2= 1301,1302,
&end
#
#  82  TYR QD  83  PRO HA
 &rst iat= -1,1310, r1= 0, r2= 0, r3= 4.144, r4= 4.704,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1287,1296,
&end
#
#  82  TYR QD  83  PRO QB
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.39744, r4= 7.02464,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1287,1296,
igr2= 1307,1308,
&end
#
#  82  TYR QD  83  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= 1287,1296,
igr2= 1301,1302,
&end
#
#  82  TYR QE  83  PRO HA
 &rst iat= -1,1310, r1= 0, r2= 0, r3= 4.48, r4= 5.04,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1289,1294,
&end
#
#  82  TYR H  84  GLY H
 &rst iat= 1279,1314, r1= 0, r2= 0, r3= 6, r4= 6.5,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  82  TYR HA  84  GLY H
 &rst iat= 1281,1314, r1= 0, r2= 0, r3= 3.8, r4= 4.3,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  82  TYR HA  84  GLY QA
 &rst iat= 1281, -1, r1= 0, r2= 0, r3= 5.152, r4= 5.712,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1316,1317,
&end
#
#  82  TYR QB  84  GLY H
 &rst iat= -1,1314, r1= 0, r2= 0, r3= 6.608, r4= 7.168,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1283,1284,
&end
#
#  82  TYR QD  84  GLY H
 &rst iat= -1,1314, r1= 0, r2= 0, r3= 5.152, r4= 5.712,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1287,1296,
&end
#
#  82  TYR QD  84  GLY QA
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.77376, r4= 7.40096,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1287,1296,
igr2= 1316,1317,
&end
#
#  82  TYR QE  84  GLY H
 &rst iat= -1,1314, r1= 0, r2= 0, r3= 5.488, r4= 6.048,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1289,1294,
&end
#
#  82  TYR QB  87  VAL HB
 &rst iat= -1,1354, r1= 0, r2= 0, r3= 6.72, r4= 7.28,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1283,1284,
&end
#
#  82  TYR QB  87  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= 1283,1284,
igr2= 1356,1357,1358,1360,1361,1362,
&end
#
#  82  TYR QD  87  VAL H
 &rst iat= -1,1350, r1= 0, r2= 0, r3= 5.152, r4= 5.712,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1287,1296,
&end
#
#  82  TYR QD  87  VAL HB
 &rst iat= -1,1354, r1= 0, r2= 0, r3= 5.6, r4= 6.16,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1287,1296,
&end
#
#  82  TYR QD  87  VAL QG
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.7456, r4= 6.5016,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1287,1296,
igr2= 1356,1357,1358,1360,1361,1362,
&end
#
#  82  TYR QE  87  VAL H
 &rst iat= -1,1350, r1= 0, r2= 0, r3= 5.712, r4= 6.272,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1289,1294,
&end
#
#  82  TYR QE  87  VAL HB
 &rst iat= -1,1354, r1= 0, r2= 0, r3= 4.592, r4= 5.152,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1289,1294,
&end
#
#  82  TYR QE  87  VAL QG
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 4.9896, r4= 5.7456,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1289,1294,
igr2= 1356,1357,1358,1360,1361,1362,
&end
#
#  82  TYR QE  88  GLU HA
 &rst iat= -1,1368, r1= 0, r2= 0, r3= 5.6, r4= 6.16,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1289,1294,
&end
#
#  82  TYR QE  124  PHE QE
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.02112, r4= 6.64832,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1289,1294,
igr2= 1917,1921,
&end
#
#  82  TYR QD  125  ASN HA
 &rst iat= -1,1929, r1= 0, r2= 0, r3= 5.936, r4= 6.496,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1287,1296,
&end
#
#  82  TYR QD  125  ASN QB
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 7.15008, r4= 7.77728,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1287,1296,
igr2= 1931,1932,
&end
#
#  82  TYR QE  125  ASN HA
 &rst iat= -1,1929, r1= 0, r2= 0, r3= 6.72, r4= 7.28,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1289,1294,
&end
#
#  82  TYR QE  125  ASN QB
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 7.15008, r4= 7.77728,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1289,1294,
igr2= 1931,1932,
&end
#
#  82  TYR QE  125  ASN QD
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.77024, r4= 6.39744,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1289,1294,
igr2= 1936,1937,
&end
#
#  82  TYR HA  128  LEU QB
 &rst iat= 1281, -1, r1= 0, r2= 0, r3= 5.824, r4= 6.384,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1972,1973,
&end
#
#  82  TYR QB  128  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= 1283,1284,
igr2= 1977,1978,1979,1981,1982,1983,
&end
#
#  82  TYR QD  128  LEU QB
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.6448, r4= 6.272,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1287,1296,
igr2= 1972,1973,
&end
#
#  82  TYR QD  128  LEU HG
 &rst iat= -1,1975, r1= 0, r2= 0, r3= 5.712, r4= 6.272,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1287,1296,
&end
#
#  82  TYR QD  128  LEU QD
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.1992, r4= 6.9552,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1287,1296,
igr2= 1977,1978,1979,1981,1982,1983,
&end
#
#  82  TYR QE  128  LEU H
 &rst iat= -1,1968, r1= 0, r2= 0, r3= 6.16, r4= 6.72,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1289,1294,
&end
#
#  82  TYR QE  128  LEU QB
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.39392, r4= 6.02112,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1289,1294,
igr2= 1972,1973,
&end
#
#  82  TYR QE  128  LEU QD
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.5944, r4= 6.3504,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1289,1294,
igr2= 1977,1978,1979,1981,1982,1983,
&end
#
#  82  TYR QD  129  GLN H
 &rst iat= -1,1987, r1= 0, r2= 0, r3= 5.04, r4= 5.6,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1287,1296,
&end
#
#  82  TYR QD  129  GLN HA
 &rst iat= -1,1989, r1= 0, r2= 0, r3= 4.144, r4= 4.704,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1287,1296,
&end
#
#  82  TYR QD  129  GLN QG
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 4.76672, r4= 5.39392,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1287,1296,
igr2= 1994,1995,
&end
#
#  82  TYR QE  129  GLN H
 &rst iat= -1,1987, r1= 0, r2= 0, r3= 5.04, r4= 5.6,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1289,1294,
&end
#
#  82  TYR QE  129  GLN HA
 &rst iat= -1,1989, r1= 0, r2= 0, r3= 4.592, r4= 5.152,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1289,1294,
&end
#
#  82  TYR QE  129  GLN QB
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.6448, r4= 6.272,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1289,1294,
igr2= 1991,1992,
&end
#
#  82  TYR QE  129  GLN QG
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 4.13952, r4= 4.76672,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1289,1294,
igr2= 1994,1995,
&end
#
#  82  TYR QE  129  GLN QE
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.51936, r4= 6.14656,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1289,1294,
igr2= 1999,2000,
&end
#
#  82  TYR H  132  PHE QB
 &rst iat= 1279, -1, r1= 0, r2= 0, r3= 5.712, r4= 6.272,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 2037,2038,
&end
#
#  82  TYR H  132  PHE HZ
 &rst iat= 1279,2045, r1= 0, r2= 0, r3= 5.2, r4= 5.7,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  82  TYR HA  132  PHE QD
 &rst iat= 1281, -1, r1= 0, r2= 0, r3= 6.272, r4= 6.832,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 2041,2049,
&end
#
#  82  TYR HA  132  PHE QE
 &rst iat= 1281, -1, r1= 0, r2= 0, r3= 6.72, r4= 7.28,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 2043,2047,
&end
#
#  82  TYR QB  132  PHE H
 &rst iat= -1,2033, r1= 0, r2= 0, r3= 6.16, r4= 6.72,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1283,1284,
&end
#
#  82  TYR QB  132  PHE QB
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.39744, r4= 7.02464,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1283,1284,
igr2= 2037,2038,
&end
#
#  82  TYR QB  132  PHE QD
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.14304, r4= 5.77024,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1283,1284,
igr2= 2041,2049,
&end
#
#  82  TYR QB  132  PHE QE
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.51936, r4= 6.14656,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1283,1284,
igr2= 2043,2047,
&end
#
#  82  TYR QB  132  PHE HZ
 &rst iat= -1,2045, r1= 0, r2= 0, r3= 5.152, r4= 5.712,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1283,1284,
&end
#
#  82  TYR QD  132  PHE QB
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.89568, r4= 6.52288,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1287,1296,
igr2= 2037,2038,
&end
#
#  82  TYR QD  132  PHE QD
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.0176, r4= 5.6448,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1287,1296,
igr2= 2041,2049,
&end
#
#  82  TYR QD  132  PHE QE
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.77024, r4= 6.39744,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1287,1296,
igr2= 2043,2047,
&end
#
#  83  PRO HA  84  GLY H
 &rst iat= 1310,1314, r1= 0, r2= 0, r3= 3.2, r4= 3.7,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  83  PRO HA  84  GLY QA
 &rst iat= 1310, -1, r1= 0, r2= 0, r3= 5.264, r4= 5.824,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1316,1317,
&end
#
#  83  PRO QB  84  GLY H
 &rst iat= -1,1314, r1= 0, r2= 0, r3= 4.032, r4= 4.592,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1307,1308,
&end
#
#  83  PRO QB  84  GLY QA
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.39744, r4= 7.02464,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1307,1308,
igr2= 1316,1317,
&end
#
#  83  PRO QG  84  GLY H
 &rst iat= -1,1314, r1= 0, r2= 0, r3= 5.04, r4= 5.6,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1304,1305,
&end
#
#  83  PRO QD  84  GLY H
 &rst iat= -1,1314, r1= 0, r2= 0, r3= 6.272, r4= 6.832,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1301,1302,
&end
#
#  83  PRO HA  87  VAL H
 &rst iat= 1310,1350, r1= 0, r2= 0, r3= 6, r4= 6.5,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  83  PRO HA  87  VAL QG
 &rst iat= 1310, -1, r1= 0, r2= 0, r3= 7.155, r4= 7.83,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1356,1357,1358,1360,1361,1362,
&end
#
#  83  PRO QB  88  GLU QG
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.77376, r4= 7.40096,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1307,1308,
igr2= 1373,1374,
&end
#
#  84  GLY H  85  ILE H
 &rst iat= 1314,1321, r1= 0, r2= 0, r3= 4.3, r4= 4.8,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  84  GLY H  85  ILE QG2
 &rst iat= 1314, -1, r1= 0, r2= 0, r3= 7.2, r4= 7.8,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1327,1328,1329,
&end
#
#  84  GLY QA  85  ILE H
 &rst iat= -1,1321, r1= 0, r2= 0, r3= 3.92, r4= 4.48,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1316,1317,
&end
#
#  84  GLY QA  85  ILE HA
 &rst iat= -1,1323, r1= 0, r2= 0, r3= 4.928, r4= 5.488,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1316,1317,
&end
#
#  84  GLY QA  85  ILE HB
 &rst iat= -1,1325, r1= 0, r2= 0, r3= 5.264, r4= 5.824,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1316,1317,
&end
#
#  84  GLY QA  85  ILE QG2
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.9136, r4= 6.5856,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1316,1317,
igr2= 1327,1328,1329,
&end
#
#  84  GLY QA  85  ILE QD1
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 7.6608, r4= 8.3328,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1316,1317,
igr2= 1334,1335,1336,
&end
#
#  84  GLY H  86  ALA H
 &rst iat= 1314,1340, r1= 0, r2= 0, r3= 4.8, r4= 5.3,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  84  GLY QA  86  ALA H
 &rst iat= -1,1340, r1= 0, r2= 0, r3= 5.04, r4= 5.6,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1316,1317,
&end
#
#  84  GLY H  87  VAL H
 &rst iat= 1314,1350, r1= 0, r2= 0, r3= 5.1, r4= 5.6,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  84  GLY H  87  VAL HB
 &rst iat= 1314,1354, r1= 0, r2= 0, r3= 6, r4= 6.5,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  84  GLY H  87  VAL QG
 &rst iat= 1314, -1, r1= 0, r2= 0, r3= 6.885, r4= 7.56,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1356,1357,1358,1360,1361,1362,
&end
#
#  84  GLY QA  87  VAL H
 &rst iat= -1,1350, r1= 0, r2= 0, r3= 6.608, r4= 7.168,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1316,1317,
&end
#
#  84  GLY QA  87  VAL QG
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 9.072, r4= 9.828,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1316,1317,
igr2= 1356,1357,1358,1360,1361,1362,
&end
#
#  84  GLY H  88  GLU HA
 &rst iat= 1314,1368, r1= 0, r2= 0, r3= 6, r4= 6.5,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  84  GLY H  88  GLU QG
 &rst iat= 1314, -1, r1= 0, r2= 0, r3= 5.712, r4= 6.272,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1373,1374,
&end
#
#  85  ILE H  85  ILE HB
 &rst iat= 1321,1325, r1= 0, r2= 0, r3= 3.5, r4= 4,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  85  ILE H  85  ILE QG1
 &rst iat= 1321, -1, r1= 0, r2= 0, r3= 4.928, r4= 5.488,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1331,1332,
&end
#
#  85  ILE H  85  ILE QG2
 &rst iat= 1321, -1, r1= 0, r2= 0, r3= 3.96, r4= 4.56,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1327,1328,1329,
&end
#
#  85  ILE H  85  ILE QD1
 &rst iat= 1321, -1, r1= 0, r2= 0, r3= 5.16, r4= 5.76,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1334,1335,1336,
&end
#
#  85  ILE HA  85  ILE QG1
 &rst iat= 1323, -1, r1= 0, r2= 0, r3= 4.144, r4= 4.704,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1331,1332,
&end
#
#  85  ILE HA  85  ILE QG2
 &rst iat= 1323, -1, r1= 0, r2= 0, r3= 3.96, r4= 4.56,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1327,1328,1329,
&end
#
#  85  ILE HA  85  ILE QD1
 &rst iat= 1323, -1, r1= 0, r2= 0, r3= 3.72, r4= 4.32,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1334,1335,1336,
&end
#
#  85  ILE HB  85  ILE QD1
 &rst iat= 1325, -1, r1= 0, r2= 0, r3= 4.08, r4= 4.68,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1334,1335,1336,
&end
#
#  85  ILE QG2  85  ILE QG1
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 4.5696, r4= 5.2416,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1327,1328,1329,
igr2= 1331,1332,
&end
#
#  85  ILE H  86  ALA H
 &rst iat= 1321,1340, r1= 0, r2= 0, r3= 3.9, r4= 4.4,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  85  ILE H  86  ALA HA
 &rst iat= 1321,1342, r1= 0, r2= 0, r3= 4.9, r4= 5.4,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  85  ILE H  86  ALA QB
 &rst iat= 1321, -1, r1= 0, r2= 0, r3= 6.24, r4= 6.84,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1344,1345,1346,
&end
#
#  85  ILE HA  86  ALA QB
 &rst iat= 1323, -1, r1= 0, r2= 0, r3= 6.24, r4= 6.84,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1344,1345,1346,
&end
#
#  85  ILE HB  86  ALA H
 &rst iat= 1325,1340, r1= 0, r2= 0, r3= 4.3, r4= 4.8,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  85  ILE HB  86  ALA QB
 &rst iat= 1325, -1, r1= 0, r2= 0, r3= 6.72, r4= 7.32,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1344,1345,1346,
&end
#
#  85  ILE QG1  86  ALA H
 &rst iat= -1,1340, r1= 0, r2= 0, r3= 5.04, r4= 5.6,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1331,1332,
&end
#
#  85  ILE QG2  86  ALA H
 &rst iat= -1,1340, r1= 0, r2= 0, r3= 4.32, r4= 4.92,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1327,1328,1329,
&end
#
#  85  ILE QG1  86  ALA HA
 &rst iat= -1,1342, r1= 0, r2= 0, r3= 5.936, r4= 6.496,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1331,1332,
&end
#
#  85  ILE QG2  86  ALA HA
 &rst iat= -1,1342, r1= 0, r2= 0, r3= 5.28, r4= 5.88,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1327,1328,1329,
&end
#
#  85  ILE QG1  86  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= 1331,1332,
igr2= 1344,1345,1346,
&end
#
#  85  ILE QG2  86  ALA QB
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.768, r4= 7.488,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1327,1328,1329,
igr2= 1344,1345,1346,
&end
#
#  85  ILE QD1  86  ALA H
 &rst iat= -1,1340, r1= 0, r2= 0, r3= 5.88, r4= 6.48,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1334,1335,1336,
&end
#
#  85  ILE QD1  86  ALA HA
 &rst iat= -1,1342, r1= 0, r2= 0, r3= 6, r4= 6.6,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1334,1335,1336,
&end
#
#  85  ILE H  87  VAL H
 &rst iat= 1321,1350, r1= 0, r2= 0, r3= 5, r4= 5.5,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  85  ILE H  87  VAL QG
 &rst iat= 1321, -1, r1= 0, r2= 0, r3= 7.155, r4= 7.83,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1356,1357,1358,1360,1361,1362,
&end
#
#  85  ILE HA  87  VAL H
 &rst iat= 1323,1350, r1= 0, r2= 0, r3= 4.7, r4= 5.2,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  85  ILE HB  87  VAL H
 &rst iat= 1325,1350, r1= 0, r2= 0, r3= 6, r4= 6.5,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  85  ILE QG1  87  VAL H
 &rst iat= -1,1350, r1= 0, r2= 0, r3= 6.608, r4= 7.168,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1331,1332,
&end
#
#  85  ILE QG2  87  VAL H
 &rst iat= -1,1350, r1= 0, r2= 0, r3= 5.88, r4= 6.48,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1327,1328,1329,
&end
#
#  85  ILE HA  88  GLU H
 &rst iat= 1323,1366, r1= 0, r2= 0, r3= 6, r4= 6.5,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  85  ILE HA  88  GLU QG
 &rst iat= 1323, -1, r1= 0, r2= 0, r3= 5.04, r4= 5.6,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1373,1374,
&end
#
#  85  ILE HB  88  GLU QG
 &rst iat= 1325, -1, r1= 0, r2= 0, r3= 6.496, r4= 7.056,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1373,1374,
&end
#
#  85  ILE QD1  88  GLU QG
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.5856, r4= 7.2576,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1334,1335,1336,
igr2= 1373,1374,
&end
#
#  85  ILE QG2  100  ARG H
 &rst iat= -1,1559, r1= 0, r2= 0, r3= 6.36, r4= 6.96,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1327,1328,1329,
&end
#
#  85  ILE QG2  100  ARG HA
 &rst iat= -1,1561, r1= 0, r2= 0, r3= 7.2, r4= 7.8,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1327,1328,1329,
&end
#
#  85  ILE QG1  100  ARG QB
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.6448, r4= 6.272,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1331,1332,
igr2= 1563,1564,
&end
#
#  85  ILE QG2  100  ARG QB
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 7.9296, r4= 8.6016,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1327,1328,1329,
igr2= 1563,1564,
&end
#
#  85  ILE QG2  100  ARG QD
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.9136, r4= 6.5856,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1327,1328,1329,
igr2= 1569,1570,
&end
#
#  85  ILE QD1  100  ARG H
 &rst iat= -1,1559, r1= 0, r2= 0, r3= 6.6, r4= 7.2,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1334,1335,1336,
&end
#
#  85  ILE QD1  100  ARG HA
 &rst iat= -1,1561, r1= 0, r2= 0, r3= 6.6, r4= 7.2,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1334,1335,1336,
&end
#
#  85  ILE QD1  100  ARG QB
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 7.2576, r4= 7.9296,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1334,1335,1336,
igr2= 1563,1564,
&end
#
#  85  ILE QD1  100  ARG QD
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 7.2576, r4= 7.9296,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1334,1335,1336,
igr2= 1569,1570,
&end
#
#  85  ILE QG1  110  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= 1331,1332,
igr2= 1712,1720,
&end
#
#  85  ILE QG2  110  PHE QD
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 8.064, r4= 8.736,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1327,1328,1329,
igr2= 1712,1720,
&end
#
#  85  ILE QG1  110  PHE QE
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.39392, r4= 6.02112,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1331,1332,
igr2= 1714,1718,
&end
#
#  85  ILE QG2  110  PHE QE
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.9888, r4= 7.6608,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1327,1328,1329,
igr2= 1714,1718,
&end
#
#  85  ILE QG1  110  PHE HZ
 &rst iat= -1,1716, r1= 0, r2= 0, r3= 5.04, r4= 5.6,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1331,1332,
&end
#
#  85  ILE QG2  110  PHE HZ
 &rst iat= -1,1716, r1= 0, r2= 0, r3= 6.36, r4= 6.96,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1327,1328,1329,
&end
#
#  85  ILE QD1  110  PHE QD
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.6448, r4= 6.3168,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1334,1335,1336,
igr2= 1712,1720,
&end
#
#  85  ILE QD1  110  PHE QE
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 4.8384, r4= 5.5104,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1334,1335,1336,
igr2= 1714,1718,
&end
#
#  85  ILE QD1  110  PHE HZ
 &rst iat= -1,1716, r1= 0, r2= 0, r3= 4.68, r4= 5.28,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1334,1335,1336,
&end
#
#  86  ALA H  86  ALA QB
 &rst iat= 1340, -1, r1= 0, r2= 0, r3= 3.84, r4= 4.44,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1344,1345,1346,
&end
#
#  86  ALA H  87  VAL H
 &rst iat= 1340,1350, r1= 0, r2= 0, r3= 3.3, r4= 3.8,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  86  ALA H  87  VAL HA
 &rst iat= 1340,1352, r1= 0, r2= 0, r3= 5.3, r4= 5.8,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  86  ALA H  87  VAL HB
 &rst iat= 1340,1354, r1= 0, r2= 0, r3= 5.5, r4= 6,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  86  ALA HA  87  VAL QG
 &rst iat= 1342, -1, r1= 0, r2= 0, r3= 7.965, r4= 8.64,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1356,1357,1358,1360,1361,1362,
&end
#
#  86  ALA QB  87  VAL H
 &rst iat= -1,1350, r1= 0, r2= 0, r3= 4.32, r4= 4.92,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1344,1345,1346,
&end
#
#  86  ALA QB  87  VAL HA
 &rst iat= -1,1352, r1= 0, r2= 0, r3= 6.24, r4= 6.84,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1344,1345,1346,
&end
#
#  86  ALA QB  87  VAL HB
 &rst iat= -1,1354, r1= 0, r2= 0, r3= 5.4, r4= 6,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1344,1345,1346,
&end
#
#  86  ALA QB  87  VAL QG
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.994, r4= 6.804,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1344,1345,1346,
igr2= 1356,1357,1358,1360,1361,1362,
&end
#
#  86  ALA H  99  ILE HA
 &rst iat= 1340,1542, r1= 0, r2= 0, r3= 5.8, r4= 6.3,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  86  ALA HA  99  ILE HA
 &rst iat= 1342,1542, r1= 0, r2= 0, r3= 4.9, r4= 5.4,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  86  ALA HA  99  ILE HB
 &rst iat= 1342,1544, r1= 0, r2= 0, r3= 5.1, r4= 5.6,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  86  ALA QB  99  ILE HA
 &rst iat= -1,1542, r1= 0, r2= 0, r3= 6.36, r4= 6.96,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1344,1345,1346,
&end
#
#  86  ALA QB  99  ILE HB
 &rst iat= -1,1544, r1= 0, r2= 0, r3= 4.92, r4= 5.52,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1344,1345,1346,
&end
#
#  86  ALA QB  99  ILE QG2
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.912, r4= 7.632,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1344,1345,1346,
igr2= 1546,1547,1548,
&end
#
#  86  ALA H  100  ARG H
 &rst iat= 1340,1559, r1= 0, r2= 0, r3= 5.4, r4= 5.9,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  86  ALA HA  100  ARG H
 &rst iat= 1342,1559, r1= 0, r2= 0, r3= 4.4, r4= 4.9,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  86  ALA HA  100  ARG QB
 &rst iat= 1342, -1, r1= 0, r2= 0, r3= 4.816, r4= 5.376,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1563,1564,
&end
#
#  86  ALA HA  100  ARG QD
 &rst iat= 1342, -1, r1= 0, r2= 0, r3= 4.592, r4= 5.152,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1569,1570,
&end
#
#  86  ALA QB  100  ARG H
 &rst iat= -1,1559, r1= 0, r2= 0, r3= 5.52, r4= 6.12,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1344,1345,1346,
&end
#
#  86  ALA QB  100  ARG HA
 &rst iat= -1,1561, r1= 0, r2= 0, r3= 7.2, r4= 7.8,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1344,1345,1346,
&end
#
#  86  ALA QB  100  ARG QB
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 7.392, r4= 8.064,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1344,1345,1346,
igr2= 1563,1564,
&end
#
#  86  ALA HA  101  ILE H
 &rst iat= 1342,1583, r1= 0, r2= 0, r3= 5.9, r4= 6.4,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  86  ALA QB  101  ILE QG2
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 8.352, r4= 9.072,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1344,1345,1346,
igr2= 1589,1590,1591,
&end
#
#  86  ALA HA  110  PHE QD
 &rst iat= 1342, -1, r1= 0, r2= 0, r3= 5.936, r4= 6.496,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1712,1720,
&end
#
#  86  ALA HA  110  PHE QE
 &rst iat= 1342, -1, r1= 0, r2= 0, r3= 6.608, r4= 7.168,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1714,1718,
&end
#
#  86  ALA QB  128  LEU QD
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 9.558, r4= 10.368,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1344,1345,1346,
igr2= 1977,1978,1979,1981,1982,1983,
&end
#
#  87  VAL H  87  VAL HB
 &rst iat= 1350,1354, r1= 0, r2= 0, r3= 3.7, r4= 4.2,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  87  VAL H  87  VAL QG
 &rst iat= 1350, -1, r1= 0, r2= 0, r3= 5.265, r4= 5.94,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1356,1357,1358,1360,1361,1362,
&end
#
#  87  VAL HA  87  VAL QG
 &rst iat= 1352, -1, r1= 0, r2= 0, r3= 4.995, r4= 5.67,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1356,1357,1358,1360,1361,1362,
&end
#
#  87  VAL H  88  GLU H
 &rst iat= 1350,1366, r1= 0, r2= 0, r3= 4.3, r4= 4.8,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  87  VAL H  88  GLU HA
 &rst iat= 1350,1368, r1= 0, r2= 0, r3= 6, r4= 6.5,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  87  VAL H  88  GLU QB
 &rst iat= 1350, -1, r1= 0, r2= 0, r3= 6.384, r4= 6.944,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1370,1371,
&end
#
#  87  VAL H  88  GLU QG
 &rst iat= 1350, -1, r1= 0, r2= 0, r3= 5.376, r4= 5.936,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1373,1374,
&end
#
#  87  VAL HA  88  GLU H
 &rst iat= 1352,1366, r1= 0, r2= 0, r3= 3.4, r4= 3.9,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  87  VAL HA  88  GLU HA
 &rst iat= 1352,1368, r1= 0, r2= 0, r3= 5, r4= 5.5,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  87  VAL HA  88  GLU QB
 &rst iat= 1352, -1, r1= 0, r2= 0, r3= 5.264, r4= 5.824,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1370,1371,
&end
#
#  87  VAL HB  88  GLU H
 &rst iat= 1354,1366, r1= 0, r2= 0, r3= 4.8, r4= 5.3,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  87  VAL QG  88  GLU H
 &rst iat= -1,1366, r1= 0, r2= 0, r3= 5.265, r4= 5.94,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1356,1357,1358,1360,1361,1362,
&end
#
#  87  VAL QG  88  GLU HA
 &rst iat= -1,1368, r1= 0, r2= 0, r3= 6.615, r4= 7.29,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1356,1357,1358,1360,1361,1362,
&end
#
#  87  VAL QG  88  GLU QB
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 7.7112, r4= 8.4672,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1356,1357,1358,1360,1361,1362,
igr2= 1370,1371,
&end
#
#  87  VAL QG  88  GLU QG
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 8.9208, r4= 9.6768,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1356,1357,1358,1360,1361,1362,
igr2= 1373,1374,
&end
#
#  87  VAL QG  89  THR QG2
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 8.91, r4= 9.72,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1356,1357,1358,1360,1361,1362,
igr2= 1387,1388,1389,
&end
#
#  87  VAL QG  97  PHE HA
 &rst iat= -1,1506, r1= 0, r2= 0, r3= 7.02, r4= 7.695,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1356,1357,1358,1360,1361,1362,
&end
#
#  87  VAL QG  97  PHE QB
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.9552, r4= 7.7112,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1356,1357,1358,1360,1361,1362,
igr2= 1508,1509,
&end
#
#  87  VAL QG  97  PHE QD
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.1992, r4= 6.9552,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1356,1357,1358,1360,1361,1362,
igr2= 1512,1520,
&end
#
#  87  VAL QG  97  PHE QE
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 7.56, r4= 8.316,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1356,1357,1358,1360,1361,1362,
igr2= 1514,1518,
&end
#
#  87  VAL QG  98  VAL QG
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 10.935, r4= 11.8463,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1356,1357,1358,1360,1361,1362,
igr2= 1530,1531,1532,1534,1535,1536,
&end
#
#  87  VAL H  99  ILE HA
 &rst iat= 1350,1542, r1= 0, r2= 0, r3= 5.2, r4= 5.7,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  87  VAL H  99  ILE QG2
 &rst iat= 1350, -1, r1= 0, r2= 0, r3= 6.96, r4= 7.56,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1546,1547,1548,
&end
#
#  87  VAL HA  99  ILE HA
 &rst iat= 1352,1542, r1= 0, r2= 0, r3= 4, r4= 4.5,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  87  VAL HA  99  ILE HB
 &rst iat= 1352,1544, r1= 0, r2= 0, r3= 4.8, r4= 5.3,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  87  VAL HA  99  ILE QG2
 &rst iat= 1352, -1, r1= 0, r2= 0, r3= 4.68, r4= 5.28,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1546,1547,1548,
&end
#
#  87  VAL HA  99  ILE QD1
 &rst iat= 1352, -1, r1= 0, r2= 0, r3= 6, r4= 6.6,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1553,1554,1555,
&end
#
#  87  VAL HB  99  ILE QG2
 &rst iat= 1354, -1, r1= 0, r2= 0, r3= 5.76, r4= 6.36,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1546,1547,1548,
&end
#
#  87  VAL HB  99  ILE QD1
 &rst iat= 1354, -1, r1= 0, r2= 0, r3= 6.72, r4= 7.32,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1553,1554,1555,
&end
#
#  87  VAL QG  99  ILE HA
 &rst iat= -1,1542, r1= 0, r2= 0, r3= 6.48, r4= 7.155,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1356,1357,1358,1360,1361,1362,
&end
#
#  87  VAL QG  99  ILE HB
 &rst iat= -1,1544, r1= 0, r2= 0, r3= 6.885, r4= 7.56,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1356,1357,1358,1360,1361,1362,
&end
#
#  87  VAL QG  99  ILE QG2
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.966, r4= 7.776,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1356,1357,1358,1360,1361,1362,
igr2= 1546,1547,1548,
&end
#
#  87  VAL QG  99  ILE QD1
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 8.424, r4= 9.234,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1356,1357,1358,1360,1361,1362,
igr2= 1553,1554,1555,
&end
#
#  87  VAL H  100  ARG H
 &rst iat= 1350,1559, r1= 0, r2= 0, r3= 5.6, r4= 6.1,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  87  VAL HA  100  ARG H
 &rst iat= 1352,1559, r1= 0, r2= 0, r3= 5.7, r4= 6.2,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  87  VAL HA  124  PHE QE
 &rst iat= 1352, -1, r1= 0, r2= 0, r3= 5.04, r4= 5.6,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1917,1921,
&end
#
#  87  VAL QG  124  PHE QD
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.804, r4= 7.56,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1356,1357,1358,1360,1361,1362,
igr2= 1915,1923,
&end
#
#  87  VAL QG  124  PHE QE
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.4432, r4= 6.1992,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1356,1357,1358,1360,1361,1362,
igr2= 1917,1921,
&end
#
#  87  VAL QG  125  ASN H
 &rst iat= -1,1927, r1= 0, r2= 0, r3= 8.1, r4= 8.775,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1356,1357,1358,1360,1361,1362,
&end
#
#  87  VAL HA  128  LEU QD
 &rst iat= 1352, -1, r1= 0, r2= 0, r3= 7.425, r4= 8.1,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1977,1978,1979,1981,1982,1983,
&end
#
#  87  VAL HB  128  LEU QD
 &rst iat= 1354, -1, r1= 0, r2= 0, r3= 6.48, r4= 7.155,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1977,1978,1979,1981,1982,1983,
&end
#
#  87  VAL QG  128  LEU H
 &rst iat= -1,1968, r1= 0, r2= 0, r3= 8.1, r4= 8.775,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1356,1357,1358,1360,1361,1362,
&end
#
#  87  VAL QG  128  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= 1356,1357,1358,1360,1361,1362,
igr2= 1972,1973,
&end
#
#  87  VAL QG  128  LEU HG
 &rst iat= -1,1975, r1= 0, r2= 0, r3= 5.67, r4= 6.345,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1356,1357,1358,1360,1361,1362,
&end
#
#  87  VAL QG  128  LEU QD
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 7.6545, r4= 8.56575,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1356,1357,1358,1360,1361,1362,
igr2= 1977,1978,1979,1981,1982,1983,
&end
#
#  88  GLU H  88  GLU QB
 &rst iat= 1366, -1, r1= 0, r2= 0, r3= 4.368, r4= 4.928,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1370,1371,
&end
#
#  88  GLU H  88  GLU QG
 &rst iat= 1366, -1, r1= 0, r2= 0, r3= 4.816, r4= 5.376,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1373,1374,
&end
#
#  88  GLU HA  88  GLU QG
 &rst iat= 1368, -1, r1= 0, r2= 0, r3= 3.808, r4= 4.368,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1373,1374,
&end
#
#  88  GLU H  89  THR H
 &rst iat= 1366,1381, r1= 0, r2= 0, r3= 4.8, r4= 5.3,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  88  GLU HA  89  THR H
 &rst iat= 1368,1381, r1= 0, r2= 0, r3= 3, r4= 3.5,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  88  GLU HA  89  THR HA
 &rst iat= 1368,1383, r1= 0, r2= 0, r3= 4.8, r4= 5.3,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  88  GLU HA  89  THR QG2
 &rst iat= 1368, -1, r1= 0, r2= 0, r3= 6.48, r4= 7.08,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1387,1388,1389,
&end
#
#  88  GLU QB  89  THR H
 &rst iat= -1,1381, r1= 0, r2= 0, r3= 4.48, r4= 5.04,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1370,1371,
&end
#
#  88  GLU QB  89  THR QG2
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 7.392, r4= 8.064,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1370,1371,
igr2= 1387,1388,1389,
&end
#
#  88  GLU QG  89  THR H
 &rst iat= -1,1381, r1= 0, r2= 0, r3= 4.032, r4= 4.592,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1373,1374,
&end
#
#  88  GLU QB  90  VAL H
 &rst iat= -1,1395, r1= 0, r2= 0, r3= 4.256, r4= 4.816,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1370,1371,
&end
#
#  88  GLU QB  90  VAL QG
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 8.0136, r4= 8.7696,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1370,1371,
igr2= 1401,1402,1403,1405,1406,1407,
&end
#
#  88  GLU H  97  PHE QB
 &rst iat= 1366, -1, r1= 0, r2= 0, r3= 5.824, r4= 6.384,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1508,1509,
&end
#
#  88  GLU H  97  PHE QD
 &rst iat= 1366, -1, r1= 0, r2= 0, r3= 6.608, r4= 7.168,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1512,1520,
&end
#
#  88  GLU HA  97  PHE HA
 &rst iat= 1368,1506, r1= 0, r2= 0, r3= 5.6, r4= 6.1,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  88  GLU H  98  VAL H
 &rst iat= 1366,1524, r1= 0, r2= 0, r3= 4.3, r4= 4.8,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  88  GLU H  98  VAL HB
 &rst iat= 1366,1528, r1= 0, r2= 0, r3= 5.4, r4= 5.9,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  88  GLU H  98  VAL QG
 &rst iat= 1366, -1, r1= 0, r2= 0, r3= 7.02, r4= 7.695,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1530,1531,1532,1534,1535,1536,
&end
#
#  88  GLU HA  98  VAL H
 &rst iat= 1368,1524, r1= 0, r2= 0, r3= 6, r4= 6.5,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  88  GLU QB  98  VAL H
 &rst iat= -1,1524, r1= 0, r2= 0, r3= 5.488, r4= 6.048,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1370,1371,
&end
#
#  88  GLU QB  98  VAL HB
 &rst iat= -1,1528, r1= 0, r2= 0, r3= 4.816, r4= 5.376,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1370,1371,
&end
#
#  88  GLU QB  98  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= 1370,1371,
igr2= 1530,1531,1532,1534,1535,1536,
&end
#
#  88  GLU QG  98  VAL HB
 &rst iat= -1,1528, r1= 0, r2= 0, r3= 5.488, r4= 6.048,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1373,1374,
&end
#
#  88  GLU QG  98  VAL QG
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.9552, r4= 7.7112,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1373,1374,
igr2= 1530,1531,1532,1534,1535,1536,
&end
#
#  88  GLU H  99  ILE H
 &rst iat= 1366,1540, r1= 0, r2= 0, r3= 5.9, r4= 6.4,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  88  GLU H  99  ILE HA
 &rst iat= 1366,1542, r1= 0, r2= 0, r3= 4.5, r4= 5,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  88  GLU H  99  ILE QG2
 &rst iat= 1366, -1, r1= 0, r2= 0, r3= 6.24, r4= 6.84,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1546,1547,1548,
&end
#
#  88  GLU H  100  ARG H
 &rst iat= 1366,1559, r1= 0, r2= 0, r3= 5.6, r4= 6.1,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  89  THR H  89  THR HB
 &rst iat= 1381,1385, r1= 0, r2= 0, r3= 2.8, r4= 3.3,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  89  THR HA  89  THR QG2
 &rst iat= 1383, -1, r1= 0, r2= 0, r3= 4.08, r4= 4.68,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1387,1388,1389,
&end
#
#  89  THR H  90  VAL H
 &rst iat= 1381,1395, r1= 0, r2= 0, r3= 4.9, r4= 5.4,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  89  THR H  90  VAL QG
 &rst iat= 1381, -1, r1= 0, r2= 0, r3= 6.75, r4= 7.425,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1401,1402,1403,1405,1406,1407,
&end
#
#  89  THR HA  90  VAL H
 &rst iat= 1383,1395, r1= 0, r2= 0, r3= 3.5, r4= 4,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  89  THR HA  90  VAL HA
 &rst iat= 1383,1397, r1= 0, r2= 0, r3= 5.3, r4= 5.8,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  89  THR HA  90  VAL QG
 &rst iat= 1383, -1, r1= 0, r2= 0, r3= 6.48, r4= 7.155,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1401,1402,1403,1405,1406,1407,
&end
#
#  89  THR HB  90  VAL H
 &rst iat= 1385,1395, r1= 0, r2= 0, r3= 4, r4= 4.5,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  89  THR HB  90  VAL QG
 &rst iat= 1385, -1, r1= 0, r2= 0, r3= 5.265, r4= 5.94,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1401,1402,1403,1405,1406,1407,
&end
#
#  89  THR QG2  90  VAL H
 &rst iat= -1,1395, r1= 0, r2= 0, r3= 4.92, r4= 5.52,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1387,1388,1389,
&end
#
#  89  THR QG2  90  VAL QG
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 7.776, r4= 8.586,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1387,1388,1389,
igr2= 1401,1402,1403,1405,1406,1407,
&end
#
#  89  THR H  91  THR HA
 &rst iat= 1381,1413, r1= 0, r2= 0, r3= 6, r4= 6.5,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  89  THR HB  91  THR H
 &rst iat= 1385,1411, r1= 0, r2= 0, r3= 4.7, r4= 5.2,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  89  THR QG2  91  THR H
 &rst iat= -1,1411, r1= 0, r2= 0, r3= 7.2, r4= 7.8,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1387,1388,1389,
&end
#
#  89  THR QG2  91  THR QG2
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 8.208, r4= 8.928,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1387,1388,1389,
igr2= 1417,1418,1419,
&end
#
#  89  THR HB  92  ASP H
 &rst iat= 1385,1425, r1= 0, r2= 0, r3= 6, r4= 6.5,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  89  THR QG2  92  ASP H
 &rst iat= -1,1425, r1= 0, r2= 0, r3= 7.2, r4= 7.8,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1387,1388,1389,
&end
#
#  89  THR QG2  92  ASP HA
 &rst iat= -1,1427, r1= 0, r2= 0, r3= 6.84, r4= 7.44,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1387,1388,1389,
&end
#
#  89  THR QG2  92  ASP QB
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 7.7952, r4= 8.4672,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1387,1388,1389,
igr2= 1429,1430,
&end
#
#  89  THR QG2  93  SER H
 &rst iat= -1,1437, r1= 0, r2= 0, r3= 7.2, r4= 7.8,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1387,1388,1389,
&end
#
#  89  THR QG2  94  SER HA
 &rst iat= -1,1450, r1= 0, r2= 0, r3= 5.52, r4= 6.12,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1387,1388,1389,
&end
#
#  89  THR QG2  96  TYR H
 &rst iat= -1,1483, r1= 0, r2= 0, r3= 7.2, r4= 7.8,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1387,1388,1389,
&end
#
#  89  THR QG2  96  TYR QB
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 7.1232, r4= 7.7952,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1387,1388,1389,
igr2= 1487,1488,
&end
#
#  89  THR QG2  96  TYR QD
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 7.9296, r4= 8.6016,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1387,1388,1389,
igr2= 1491,1500,
&end
#
#  89  THR H  97  PHE QD
 &rst iat= 1381, -1, r1= 0, r2= 0, r3= 5.712, r4= 6.272,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1512,1520,
&end
#
#  89  THR H  97  PHE QE
 &rst iat= 1381, -1, r1= 0, r2= 0, r3= 6.72, r4= 7.28,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1514,1518,
&end
#
#  89  THR HA  97  PHE HA
 &rst iat= 1383,1506, r1= 0, r2= 0, r3= 4.2, r4= 4.7,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  89  THR HA  97  PHE QD
 &rst iat= 1383, -1, r1= 0, r2= 0, r3= 5.152, r4= 5.712,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1512,1520,
&end
#
#  89  THR HB  97  PHE HA
 &rst iat= 1385,1506, r1= 0, r2= 0, r3= 5.8, r4= 6.3,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  89  THR QG2  97  PHE HA
 &rst iat= -1,1506, r1= 0, r2= 0, r3= 5.76, r4= 6.36,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1387,1388,1389,
&end
#
#  89  THR QG2  97  PHE QD
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.5104, r4= 6.1824,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1387,1388,1389,
igr2= 1512,1520,
&end
#
#  89  THR QG2  97  PHE QE
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.376, r4= 6.048,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1387,1388,1389,
igr2= 1514,1518,
&end
#
#  89  THR QG2  97  PHE HZ
 &rst iat= -1,1516, r1= 0, r2= 0, r3= 5.76, r4= 6.36,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1387,1388,1389,
&end
#
#  89  THR H  98  VAL H
 &rst iat= 1381,1524, r1= 0, r2= 0, r3= 6, r4= 6.5,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  89  THR H  98  VAL QG
 &rst iat= 1381, -1, r1= 0, r2= 0, r3= 7.425, r4= 8.1,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1530,1531,1532,1534,1535,1536,
&end
#
#  89  THR HA  98  VAL H
 &rst iat= 1383,1524, r1= 0, r2= 0, r3= 5.4, r4= 5.9,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  89  THR HA  98  VAL QG
 &rst iat= 1383, -1, r1= 0, r2= 0, r3= 7.02, r4= 7.695,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1530,1531,1532,1534,1535,1536,
&end
#
#  89  THR QG2  98  VAL QG
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 9.072, r4= 9.882,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1387,1388,1389,
igr2= 1530,1531,1532,1534,1535,1536,
&end
#
#  89  THR QG2  124  PHE QD
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 8.064, r4= 8.736,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1387,1388,1389,
igr2= 1915,1923,
&end
#
#  89  THR QG2  125  ASN QD
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 8.064, r4= 8.736,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1387,1388,1389,
igr2= 1936,1937,
&end
#
#  90  VAL H  90  VAL QG
 &rst iat= 1395, -1, r1= 0, r2= 0, r3= 5.13, r4= 5.805,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1401,1402,1403,1405,1406,1407,
&end
#
#  90  VAL HA  90  VAL H
 &rst iat= 1397,1395, r1= 0, r2= 0, r3= 2.9, r4= 3.4,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  90  VAL HA  90  VAL QG
 &rst iat= 1397, -1, r1= 0, r2= 0, r3= 4.995, r4= 5.67,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1401,1402,1403,1405,1406,1407,
&end
#
#  90  VAL HB  90  VAL H
 &rst iat= 1399,1395, r1= 0, r2= 0, r3= 3.8, r4= 4.3,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  90  VAL H  91  THR H
 &rst iat= 1395,1411, r1= 0, r2= 0, r3= 5.5, r4= 6,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  90  VAL HA  91  THR H
 &rst iat= 1397,1411, r1= 0, r2= 0, r3= 3.5, r4= 4,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  90  VAL HA  91  THR QG2
 &rst iat= 1397, -1, r1= 0, r2= 0, r3= 5.64, r4= 6.24,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1417,1418,1419,
&end
#
#  90  VAL HB  91  THR H
 &rst iat= 1399,1411, r1= 0, r2= 0, r3= 2.9, r4= 3.4,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  90  VAL HB  91  THR QG2
 &rst iat= 1399, -1, r1= 0, r2= 0, r3= 5.4, r4= 6,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1417,1418,1419,
&end
#
#  90  VAL QG  91  THR H
 &rst iat= -1,1411, r1= 0, r2= 0, r3= 5.535, r4= 6.21,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1401,1402,1403,1405,1406,1407,
&end
#
#  90  VAL QG  91  THR HB
 &rst iat= -1,1415, r1= 0, r2= 0, r3= 6.75, r4= 7.425,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1401,1402,1403,1405,1406,1407,
&end
#
#  90  VAL QG  91  THR QG2
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 8.1, r4= 8.91,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1401,1402,1403,1405,1406,1407,
igr2= 1417,1418,1419,
&end
#
#  90  VAL HA  92  ASP H
 &rst iat= 1397,1425, r1= 0, r2= 0, r3= 6, r4= 6.5,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  90  VAL HB  92  ASP H
 &rst iat= 1399,1425, r1= 0, r2= 0, r3= 4.2, r4= 4.7,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  90  VAL QG  92  ASP H
 &rst iat= -1,1425, r1= 0, r2= 0, r3= 5.13, r4= 5.805,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1401,1402,1403,1405,1406,1407,
&end
#
#  90  VAL QG  92  ASP HA
 &rst iat= -1,1427, r1= 0, r2= 0, r3= 7.56, r4= 8.235,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1401,1402,1403,1405,1406,1407,
&end
#
#  90  VAL QG  93  SER HA
 &rst iat= -1,1439, r1= 0, r2= 0, r3= 7.83, r4= 8.505,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1401,1402,1403,1405,1406,1407,
&end
#
#  90  VAL QG  93  SER QB
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.8968, r4= 6.6528,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1401,1402,1403,1405,1406,1407,
igr2= 1441,1442,
&end
#
#  90  VAL H  96  TYR QB
 &rst iat= 1395, -1, r1= 0, r2= 0, r3= 5.712, r4= 6.272,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1487,1488,
&end
#
#  90  VAL QG  96  TYR H
 &rst iat= -1,1483, r1= 0, r2= 0, r3= 5.805, r4= 6.48,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1401,1402,1403,1405,1406,1407,
&end
#
#  90  VAL QG  96  TYR HA
 &rst iat= -1,1485, r1= 0, r2= 0, r3= 6.21, r4= 6.885,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1401,1402,1403,1405,1406,1407,
&end
#
#  90  VAL QG  96  TYR QB
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 7.56, r4= 8.316,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1401,1402,1403,1405,1406,1407,
igr2= 1487,1488,
&end
#
#  90  VAL QG  96  TYR QD
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.8968, r4= 6.6528,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1401,1402,1403,1405,1406,1407,
igr2= 1491,1500,
&end
#
#  90  VAL QG  96  TYR QE
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 7.1064, r4= 7.8624,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1401,1402,1403,1405,1406,1407,
igr2= 1493,1498,
&end
#
#  90  VAL H  97  PHE HA
 &rst iat= 1395,1506, r1= 0, r2= 0, r3= 5.2, r4= 5.7,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  90  VAL H  97  PHE QB
 &rst iat= 1395, -1, r1= 0, r2= 0, r3= 6.496, r4= 7.056,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1508,1509,
&end
#
#  90  VAL HA  97  PHE HA
 &rst iat= 1397,1506, r1= 0, r2= 0, r3= 5.6, r4= 6.1,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  90  VAL QG  97  PHE H
 &rst iat= -1,1504, r1= 0, r2= 0, r3= 6.615, r4= 7.29,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1401,1402,1403,1405,1406,1407,
&end
#
#  90  VAL QG  97  PHE HA
 &rst iat= -1,1506, r1= 0, r2= 0, r3= 5.805, r4= 6.48,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1401,1402,1403,1405,1406,1407,
&end
#
#  90  VAL QG  97  PHE QD
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.804, r4= 7.56,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1401,1402,1403,1405,1406,1407,
igr2= 1512,1520,
&end
#
#  90  VAL QG  97  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= 1401,1402,1403,1405,1406,1407,
igr2= 1514,1518,
&end
#
#  90  VAL H  98  VAL H
 &rst iat= 1395,1524, r1= 0, r2= 0, r3= 5.9, r4= 6.4,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  90  VAL HA  98  VAL QG
 &rst iat= 1397, -1, r1= 0, r2= 0, r3= 6.885, r4= 7.56,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1530,1531,1532,1534,1535,1536,
&end
#
#  90  VAL QG  98  VAL QG
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 7.10775, r4= 8.019,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1401,1402,1403,1405,1406,1407,
igr2= 1530,1531,1532,1534,1535,1536,
&end
#
#  90  VAL QG  112  GLY QA
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 9.072, r4= 9.828,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1401,1402,1403,1405,1406,1407,
igr2= 1745,1746,
&end
#
#  91  THR H  91  THR QG2
 &rst iat= 1411, -1, r1= 0, r2= 0, r3= 4.2, r4= 4.8,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1417,1418,1419,
&end
#
#  91  THR HA  91  THR QG2
 &rst iat= 1413, -1, r1= 0, r2= 0, r3= 3.72, r4= 4.32,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1417,1418,1419,
&end
#
#  91  THR H  92  ASP H
 &rst iat= 1411,1425, r1= 0, r2= 0, r3= 4.2, r4= 4.7,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  91  THR HB  92  ASP H
 &rst iat= 1415,1425, r1= 0, r2= 0, r3= 5.2, r4= 5.7,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  91  THR HB  92  ASP QB
 &rst iat= 1415, -1, r1= 0, r2= 0, r3= 4.368, r4= 4.928,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1429,1430,
&end
#
#  91  THR QG2  92  ASP H
 &rst iat= -1,1425, r1= 0, r2= 0, r3= 5.64, r4= 6.24,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1417,1418,1419,
&end
#
#  91  THR H  93  SER H
 &rst iat= 1411,1437, r1= 0, r2= 0, r3= 4.9, r4= 5.4,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  91  THR HB  93  SER H
 &rst iat= 1415,1437, r1= 0, r2= 0, r3= 5.1, r4= 5.6,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  91  THR H  98  VAL QG
 &rst iat= 1411, -1, r1= 0, r2= 0, r3= 8.1, r4= 8.775,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1530,1531,1532,1534,1535,1536,
&end
#
#  92  ASP H  93  SER H
 &rst iat= 1425,1437, r1= 0, r2= 0, r3= 3.8, r4= 4.3,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  92  ASP H  93  SER QB
 &rst iat= 1425, -1, r1= 0, r2= 0, r3= 6.496, r4= 7.056,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1441,1442,
&end
#
#  92  ASP QB  93  SER H
 &rst iat= -1,1437, r1= 0, r2= 0, r3= 5.712, r4= 6.272,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1429,1430,
&end
#
#  93  SER HA  94  SER QB
 &rst iat= 1439, -1, r1= 0, r2= 0, r3= 5.6, r4= 6.16,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1452,1453,
&end
#
#  93  SER QB  96  TYR H
 &rst iat= -1,1483, r1= 0, r2= 0, r3= 4.816, r4= 5.376,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1441,1442,
&end
#
#  93  SER QB  96  TYR QD
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 4.89216, r4= 5.51936,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1441,1442,
igr2= 1491,1500,
&end
#
#  93  SER QB  96  TYR QE
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.02112, r4= 6.64832,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1441,1442,
igr2= 1493,1498,
&end
#
#  94  SER HA  95  ARG HA
 &rst iat= 1450,1461, r1= 0, r2= 0, r3= 5.2, r4= 5.7,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  95  ARG HA  95  ARG QD
 &rst iat= 1461, -1, r1= 0, r2= 0, r3= 5.488, r4= 6.048,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1469,1470,
&end
#
#  95  ARG QB  95  ARG QD
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 4.3904, r4= 5.0176,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1463,1464,
igr2= 1469,1470,
&end
#
#  95  ARG H  96  TYR H
 &rst iat= 1459,1483, r1= 0, r2= 0, r3= 4.4, r4= 4.9,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  95  ARG QB  96  TYR H
 &rst iat= -1,1483, r1= 0, r2= 0, r3= 6.384, r4= 6.944,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1463,1464,
&end
#
#  95  ARG QB  96  TYR QD
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.39744, r4= 7.02464,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1463,1464,
igr2= 1491,1500,
&end
#
#  95  ARG QB  96  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= 1463,1464,
igr2= 1493,1498,
&end
#
#  95  ARG QG  96  TYR H
 &rst iat= -1,1483, r1= 0, r2= 0, r3= 6.72, r4= 7.28,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1466,1467,
&end
#
#  95  ARG QG  96  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= 1466,1467,
igr2= 1491,1500,
&end
#
#  95  ARG QG  96  TYR QE
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 7.5264, r4= 8.1536,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1466,1467,
igr2= 1493,1498,
&end
#
#  95  ARG QD  96  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= 1469,1470,
igr2= 1493,1498,
&end
#
#  95  ARG HA  115  PHE H
 &rst iat= 1461,1776, r1= 0, r2= 0, r3= 6, r4= 6.5,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  95  ARG HA  115  PHE QB
 &rst iat= 1461, -1, r1= 0, r2= 0, r3= 5.936, r4= 6.496,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1780,1781,
&end
#
#  95  ARG HA  118  ARG HA
 &rst iat= 1461,1824, r1= 0, r2= 0, r3= 5.2, r4= 5.7,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  95  ARG HA  118  ARG QG
 &rst iat= 1461, -1, r1= 0, r2= 0, r3= 5.936, r4= 6.496,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1829,1830,
&end
#
#  95  ARG HA  118  ARG QD
 &rst iat= 1461, -1, r1= 0, r2= 0, r3= 5.04, r4= 5.6,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1832,1833,
&end
#
#  95  ARG QB  118  ARG QD
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 4.76672, r4= 5.39392,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1463,1464,
igr2= 1832,1833,
&end
#
#  95  ARG QG  118  ARG QD
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.89568, r4= 6.52288,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1466,1467,
igr2= 1832,1833,
&end
#
#  95  ARG QD  118  ARG QD
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 7.5264, r4= 8.1536,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1469,1470,
igr2= 1832,1833,
&end
#
#  95  ARG HA  121  ALA QB
 &rst iat= 1461, -1, r1= 0, r2= 0, r3= 4.44, r4= 5.04,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1869,1870,1871,
&end
#
#  95  ARG QB  121  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= 1463,1464,
igr2= 1869,1870,1871,
&end
#
#  95  ARG QG  121  ALA QB
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.8544, r4= 7.5264,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1466,1467,
igr2= 1869,1870,1871,
&end
#
#  96  TYR H  96  TYR QD
 &rst iat= 1483, -1, r1= 0, r2= 0, r3= 4.704, r4= 5.264,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1491,1500,
&end
#
#  96  TYR H  96  TYR QE
 &rst iat= 1483, -1, r1= 0, r2= 0, r3= 5.264, r4= 5.824,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1493,1498,
&end
#
#  96  TYR HA  96  TYR QD
 &rst iat= 1485, -1, r1= 0, r2= 0, r3= 4.704, r4= 5.264,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1491,1500,
&end
#
#  96  TYR HA  96  TYR QE
 &rst iat= 1485, -1, r1= 0, r2= 0, r3= 5.488, r4= 6.048,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1493,1498,
&end
#
#  96  TYR H  97  PHE H
 &rst iat= 1483,1504, r1= 0, r2= 0, r3= 5.2, r4= 5.7,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  96  TYR H  97  PHE QB
 &rst iat= 1483, -1, r1= 0, r2= 0, r3= 6.72, r4= 7.28,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1508,1509,
&end
#
#  96  TYR HA  97  PHE QB
 &rst iat= 1485, -1, r1= 0, r2= 0, r3= 5.264, r4= 5.824,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1508,1509,
&end
#
#  96  TYR HA  97  PHE QD
 &rst iat= 1485, -1, r1= 0, r2= 0, r3= 5.712, r4= 6.272,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1512,1520,
&end
#
#  96  TYR HA  97  PHE QE
 &rst iat= 1485, -1, r1= 0, r2= 0, r3= 6.16, r4= 6.72,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1514,1518,
&end
#
#  96  TYR QB  97  PHE H
 &rst iat= -1,1504, r1= 0, r2= 0, r3= 5.264, r4= 5.824,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1487,1488,
&end
#
#  96  TYR QD  97  PHE H
 &rst iat= -1,1504, r1= 0, r2= 0, r3= 4.816, r4= 5.376,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1491,1500,
&end
#
#  96  TYR HA  113  ILE H
 &rst iat= 1485,1750, r1= 0, r2= 0, r3= 5.8, r4= 6.3,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  96  TYR HA  113  ILE HB
 &rst iat= 1485,1754, r1= 0, r2= 0, r3= 4.9, r4= 5.4,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  96  TYR HA  113  ILE QG2
 &rst iat= 1485, -1, r1= 0, r2= 0, r3= 6.6, r4= 7.2,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1756,1757,1758,
&end
#
#  96  TYR HA  113  ILE QD1
 &rst iat= 1485, -1, r1= 0, r2= 0, r3= 7.2, r4= 7.8,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1763,1764,1765,
&end
#
#  96  TYR QD  113  ILE HA
 &rst iat= -1,1752, r1= 0, r2= 0, r3= 6.272, r4= 6.832,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1491,1500,
&end
#
#  96  TYR QD  113  ILE HB
 &rst iat= -1,1754, r1= 0, r2= 0, r3= 6.72, r4= 7.28,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1491,1500,
&end
#
#  96  TYR QD  113  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= 1491,1500,
igr2= 1756,1757,1758,
&end
#
#  96  TYR H  114  GLY QA
 &rst iat= 1483, -1, r1= 0, r2= 0, r3= 6.608, r4= 7.168,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1771,1772,
&end
#
#  96  TYR HA  114  GLY H
 &rst iat= 1485,1769, r1= 0, r2= 0, r3= 5.1, r4= 5.6,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  96  TYR HA  114  GLY QA
 &rst iat= 1485, -1, r1= 0, r2= 0, r3= 4.816, r4= 5.376,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1771,1772,
&end
#
#  96  TYR QD  114  GLY H
 &rst iat= -1,1769, r1= 0, r2= 0, r3= 5.936, r4= 6.496,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1491,1500,
&end
#
#  96  TYR QD  114  GLY QA
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.0176, r4= 5.6448,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1491,1500,
igr2= 1771,1772,
&end
#
#  96  TYR QE  114  GLY QA
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.14304, r4= 5.77024,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1493,1498,
igr2= 1771,1772,
&end
#
#  96  TYR HA  115  PHE H
 &rst iat= 1485,1776, r1= 0, r2= 0, r3= 5, r4= 5.5,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  96  TYR HA  115  PHE QD
 &rst iat= 1485, -1, r1= 0, r2= 0, r3= 5.488, r4= 6.048,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1784,1792,
&end
#
#  96  TYR QD  115  PHE H
 &rst iat= -1,1776, r1= 0, r2= 0, r3= 5.6, r4= 6.16,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1491,1500,
&end
#
#  96  TYR H  121  ALA QB
 &rst iat= 1483, -1, r1= 0, r2= 0, r3= 6.96, r4= 7.56,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1869,1870,1871,
&end
#
#  96  TYR QD  121  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= 1491,1500,
igr2= 1869,1870,1871,
&end
#
#  97  PHE H  97  PHE QD
 &rst iat= 1504, -1, r1= 0, r2= 0, r3= 4.816, r4= 5.376,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1512,1520,
&end
#
#  97  PHE HA  97  PHE QD
 &rst iat= 1506, -1, r1= 0, r2= 0, r3= 5.04, r4= 5.6,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1512,1520,
&end
#
#  97  PHE HA  97  PHE QE
 &rst iat= 1506, -1, r1= 0, r2= 0, r3= 6.048, r4= 6.608,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1514,1518,
&end
#
#  97  PHE H  98  VAL H
 &rst iat= 1504,1524, r1= 0, r2= 0, r3= 5.8, r4= 6.3,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  97  PHE H  98  VAL HA
 &rst iat= 1504,1526, r1= 0, r2= 0, r3= 6, r4= 6.5,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  97  PHE H  98  VAL QG
 &rst iat= 1504, -1, r1= 0, r2= 0, r3= 7.83, r4= 8.505,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1530,1531,1532,1534,1535,1536,
&end
#
#  97  PHE HA  98  VAL QG
 &rst iat= 1506, -1, r1= 0, r2= 0, r3= 6.48, r4= 7.155,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1530,1531,1532,1534,1535,1536,
&end
#
#  97  PHE QB  98  VAL H
 &rst iat= -1,1524, r1= 0, r2= 0, r3= 4.816, r4= 5.376,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1508,1509,
&end
#
#  97  PHE QD  98  VAL H
 &rst iat= -1,1524, r1= 0, r2= 0, r3= 5.488, r4= 6.048,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1512,1520,
&end
#
#  97  PHE QD  98  VAL QG
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 8.316, r4= 9.072,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1512,1520,
igr2= 1530,1531,1532,1534,1535,1536,
&end
#
#  97  PHE H  99  ILE QG2
 &rst iat= 1504, -1, r1= 0, r2= 0, r3= 7.2, r4= 7.8,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1546,1547,1548,
&end
#
#  97  PHE QB  99  ILE QG2
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.3168, r4= 6.9888,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1508,1509,
igr2= 1546,1547,1548,
&end
#
#  97  PHE QD  99  ILE QG2
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 7.1232, r4= 7.7952,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1512,1520,
igr2= 1546,1547,1548,
&end
#
#  97  PHE H  112  GLY QA
 &rst iat= 1504, -1, r1= 0, r2= 0, r3= 6.496, r4= 7.056,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1745,1746,
&end
#
#  97  PHE HA  112  GLY QA
 &rst iat= 1506, -1, r1= 0, r2= 0, r3= 6.72, r4= 7.28,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1745,1746,
&end
#
#  97  PHE H  113  ILE H
 &rst iat= 1504,1750, r1= 0, r2= 0, r3= 4.6, r4= 5.1,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  97  PHE H  113  ILE HB
 &rst iat= 1504,1754, r1= 0, r2= 0, r3= 4.4, r4= 4.9,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  97  PHE H  113  ILE QG1
 &rst iat= 1504, -1, r1= 0, r2= 0, r3= 5.6, r4= 6.16,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1760,1761,
&end
#
#  97  PHE H  113  ILE QG2
 &rst iat= 1504, -1, r1= 0, r2= 0, r3= 6.72, r4= 7.32,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1756,1757,1758,
&end
#
#  97  PHE H  113  ILE QD1
 &rst iat= 1504, -1, r1= 0, r2= 0, r3= 6, r4= 6.6,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1763,1764,1765,
&end
#
#  97  PHE HA  113  ILE HB
 &rst iat= 1506,1754, r1= 0, r2= 0, r3= 6, r4= 6.5,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  97  PHE QB  113  ILE H
 &rst iat= -1,1750, r1= 0, r2= 0, r3= 6.16, r4= 6.72,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1508,1509,
&end
#
#  97  PHE QB  113  ILE HB
 &rst iat= -1,1754, r1= 0, r2= 0, r3= 4.704, r4= 5.264,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1508,1509,
&end
#
#  97  PHE QB  113  ILE QG1
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.02112, r4= 6.64832,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1508,1509,
igr2= 1760,1761,
&end
#
#  97  PHE QB  113  ILE QG2
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.5856, r4= 7.2576,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1508,1509,
igr2= 1756,1757,1758,
&end
#
#  97  PHE QB  113  ILE QD1
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.048, r4= 6.72,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1508,1509,
igr2= 1763,1764,1765,
&end
#
#  97  PHE QD  113  ILE HA
 &rst iat= -1,1752, r1= 0, r2= 0, r3= 6.72, r4= 7.28,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1512,1520,
&end
#
#  97  PHE QD  113  ILE HB
 &rst iat= -1,1754, r1= 0, r2= 0, r3= 5.152, r4= 5.712,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1512,1520,
&end
#
#  97  PHE QD  113  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= 1512,1520,
igr2= 1756,1757,1758,
&end
#
#  97  PHE QD  113  ILE QD1
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.9136, r4= 6.5856,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1512,1520,
igr2= 1763,1764,1765,
&end
#
#  97  PHE H  114  GLY H
 &rst iat= 1504,1769, r1= 0, r2= 0, r3= 6, r4= 6.5,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  97  PHE H  114  GLY QA
 &rst iat= 1504, -1, r1= 0, r2= 0, r3= 6.16, r4= 6.72,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1771,1772,
&end
#
#  97  PHE H  115  PHE H
 &rst iat= 1504,1776, r1= 0, r2= 0, r3= 5.7, r4= 6.2,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  97  PHE H  115  PHE QE
 &rst iat= 1504, -1, r1= 0, r2= 0, r3= 6.72, r4= 7.28,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1786,1790,
&end
#
#  97  PHE QB  115  PHE QE
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.8992, r4= 7.5264,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1508,1509,
igr2= 1786,1790,
&end
#
#  97  PHE QD  115  PHE QD
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.26848, r4= 5.89568,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1512,1520,
igr2= 1784,1792,
&end
#
#  97  PHE QD  115  PHE QE
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.6448, r4= 6.272,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1512,1520,
igr2= 1786,1790,
&end
#
#  97  PHE QE  115  PHE QE
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.39392, r4= 6.02112,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1514,1518,
igr2= 1786,1790,
&end
#
#  97  PHE H  121  ALA QB
 &rst iat= 1504, -1, r1= 0, r2= 0, r3= 7.2, r4= 7.8,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1869,1870,1871,
&end
#
#  97  PHE QD  121  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= 1512,1520,
igr2= 1869,1870,1871,
&end
#
#  97  PHE QE  121  ALA HA
 &rst iat= -1,1867, r1= 0, r2= 0, r3= 5.6, r4= 6.16,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1514,1518,
&end
#
#  97  PHE QE  121  ALA QB
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.6448, r4= 6.3168,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1514,1518,
igr2= 1869,1870,1871,
&end
#
#  97  PHE HZ  121  ALA QB
 &rst iat= 1516, -1, r1= 0, r2= 0, r3= 5.04, r4= 5.64,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1869,1870,1871,
&end
#
#  97  PHE QE  122  PHE HA
 &rst iat= -1,1877, r1= 0, r2= 0, r3= 5.376, r4= 5.936,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1514,1518,
&end
#
#  97  PHE HZ  122  PHE HA
 &rst iat= 1516,1877, r1= 0, r2= 0, r3= 5.2, r4= 5.7,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  97  PHE HA  124  PHE QE
 &rst iat= 1506, -1, r1= 0, r2= 0, r3= 5.712, r4= 6.272,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1917,1921,
&end
#
#  97  PHE QB  124  PHE QE
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.39744, r4= 7.02464,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1508,1509,
igr2= 1917,1921,
&end
#
#  97  PHE QB  124  PHE HZ
 &rst iat= -1,1919, r1= 0, r2= 0, r3= 6.048, r4= 6.608,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1508,1509,
&end
#
#  97  PHE QD  124  PHE QB
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.39744, r4= 7.02464,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1512,1520,
igr2= 1911,1912,
&end
#
#  97  PHE QD  124  PHE QD
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.02112, r4= 6.64832,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1512,1520,
igr2= 1915,1923,
&end
#
#  97  PHE QD  124  PHE QE
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.6448, r4= 6.272,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1512,1520,
igr2= 1917,1921,
&end
#
#  97  PHE QE  124  PHE HA
 &rst iat= -1,1909, r1= 0, r2= 0, r3= 6.048, r4= 6.608,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1514,1518,
&end
#
#  97  PHE QE  124  PHE QD
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.39392, r4= 6.02112,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1514,1518,
igr2= 1915,1923,
&end
#
#  97  PHE QE  124  PHE QE
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.77024, r4= 6.39744,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1514,1518,
igr2= 1917,1921,
&end
#
#  97  PHE HZ  124  PHE QB
 &rst iat= 1516, -1, r1= 0, r2= 0, r3= 5.824, r4= 6.384,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1911,1912,
&end
#
#  97  PHE HZ  124  PHE QD
 &rst iat= 1516, -1, r1= 0, r2= 0, r3= 5.152, r4= 5.712,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1915,1923,
&end
#
#  97  PHE QE  125  ASN HA
 &rst iat= -1,1929, r1= 0, r2= 0, r3= 6.048, r4= 6.608,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1514,1518,
&end
#
#  97  PHE QE  125  ASN QB
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.6448, r4= 6.272,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1514,1518,
igr2= 1931,1932,
&end
#
#  97  PHE HZ  125  ASN H
 &rst iat= 1516,1927, r1= 0, r2= 0, r3= 6, r4= 6.5,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  97  PHE HZ  125  ASN HA
 &rst iat= 1516,1929, r1= 0, r2= 0, r3= 5, r4= 5.5,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  97  PHE HZ  125  ASN QB
 &rst iat= 1516, -1, r1= 0, r2= 0, r3= 5.152, r4= 5.712,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1931,1932,
&end
#
#  98  VAL H  98  VAL HB
 &rst iat= 1524,1528, r1= 0, r2= 0, r3= 4, r4= 4.5,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  98  VAL H  98  VAL QG
 &rst iat= 1524, -1, r1= 0, r2= 0, r3= 5.535, r4= 6.21,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1530,1531,1532,1534,1535,1536,
&end
#
#  98  VAL HA  98  VAL QG
 &rst iat= 1526, -1, r1= 0, r2= 0, r3= 5.265, r4= 5.94,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1530,1531,1532,1534,1535,1536,
&end
#
#  98  VAL H  99  ILE H
 &rst iat= 1524,1540, r1= 0, r2= 0, r3= 5.1, r4= 5.6,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  98  VAL H  99  ILE HA
 &rst iat= 1524,1542, r1= 0, r2= 0, r3= 5.5, r4= 6,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  98  VAL HA  99  ILE QD1
 &rst iat= 1526, -1, r1= 0, r2= 0, r3= 7.2, r4= 7.8,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1553,1554,1555,
&end
#
#  98  VAL HB  99  ILE H
 &rst iat= 1528,1540, r1= 0, r2= 0, r3= 5.6, r4= 6.1,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  98  VAL QG  99  ILE H
 &rst iat= -1,1540, r1= 0, r2= 0, r3= 5.13, r4= 5.805,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1530,1531,1532,1534,1535,1536,
&end
#
#  98  VAL QG  99  ILE HA
 &rst iat= -1,1542, r1= 0, r2= 0, r3= 7.155, r4= 7.83,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1530,1531,1532,1534,1535,1536,
&end
#
#  98  VAL QG  110  PHE H
 &rst iat= -1,1704, r1= 0, r2= 0, r3= 8.1, r4= 8.775,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1530,1531,1532,1534,1535,1536,
&end
#
#  98  VAL QG  110  PHE HA
 &rst iat= -1,1706, r1= 0, r2= 0, r3= 6.21, r4= 6.885,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1530,1531,1532,1534,1535,1536,
&end
#
#  98  VAL QG  110  PHE QB
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.3504, r4= 7.1064,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1530,1531,1532,1534,1535,1536,
igr2= 1708,1709,
&end
#
#  98  VAL QG  110  PHE QD
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.1408, r4= 5.8968,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1530,1531,1532,1534,1535,1536,
igr2= 1712,1720,
&end
#
#  98  VAL QG  111  ILE H
 &rst iat= -1,1724, r1= 0, r2= 0, r3= 5.67, r4= 6.345,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1530,1531,1532,1534,1535,1536,
&end
#
#  98  VAL QG  111  ILE HA
 &rst iat= -1,1726, r1= 0, r2= 0, r3= 8.1, r4= 8.775,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1530,1531,1532,1534,1535,1536,
&end
#
#  98  VAL H  112  GLY QA
 &rst iat= 1524, -1, r1= 0, r2= 0, r3= 6.72, r4= 7.28,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1745,1746,
&end
#
#  98  VAL HA  112  GLY H
 &rst iat= 1526,1743, r1= 0, r2= 0, r3= 5.3, r4= 5.8,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  98  VAL HA  112  GLY QA
 &rst iat= 1526, -1, r1= 0, r2= 0, r3= 5.264, r4= 5.824,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1745,1746,
&end
#
#  98  VAL QG  112  GLY QA
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 7.4088, r4= 8.1648,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1530,1531,1532,1534,1535,1536,
igr2= 1745,1746,
&end
#
#  98  VAL H  113  ILE H
 &rst iat= 1524,1750, r1= 0, r2= 0, r3= 4.8, r4= 5.3,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  98  VAL H  113  ILE HB
 &rst iat= 1524,1754, r1= 0, r2= 0, r3= 5.8, r4= 6.3,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  98  VAL H  113  ILE QG1
 &rst iat= 1524, -1, r1= 0, r2= 0, r3= 6.72, r4= 7.28,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1760,1761,
&end
#
#  98  VAL HA  113  ILE H
 &rst iat= 1526,1750, r1= 0, r2= 0, r3= 4.8, r4= 5.3,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  98  VAL HA  113  ILE QG2
 &rst iat= 1526, -1, r1= 0, r2= 0, r3= 7.2, r4= 7.8,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1756,1757,1758,
&end
#
#  98  VAL QG  113  ILE H
 &rst iat= -1,1750, r1= 0, r2= 0, r3= 6.075, r4= 6.75,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1530,1531,1532,1534,1535,1536,
&end
#
#  98  VAL QG  113  ILE HB
 &rst iat= -1,1754, r1= 0, r2= 0, r3= 7.155, r4= 7.83,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1530,1531,1532,1534,1535,1536,
&end
#
#  98  VAL QG  113  ILE QG1
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 8.7696, r4= 9.5256,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1530,1531,1532,1534,1535,1536,
igr2= 1760,1761,
&end
#
#  98  VAL QG  113  ILE QG2
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 9.558, r4= 10.368,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1530,1531,1532,1534,1535,1536,
igr2= 1756,1757,1758,
&end
#
#  99  ILE H  99  ILE QG1
 &rst iat= 1540, -1, r1= 0, r2= 0, r3= 5.264, r4= 5.824,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1550,1551,
&end
#
#  99  ILE H  99  ILE QG2
 &rst iat= 1540, -1, r1= 0, r2= 0, r3= 5.16, r4= 5.76,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1546,1547,1548,
&end
#
#  99  ILE H  99  ILE QD1
 &rst iat= 1540, -1, r1= 0, r2= 0, r3= 5.16, r4= 5.76,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1553,1554,1555,
&end
#
#  99  ILE HA  99  ILE QG2
 &rst iat= 1542, -1, r1= 0, r2= 0, r3= 4.44, r4= 5.04,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1546,1547,1548,
&end
#
#  99  ILE HA  99  ILE QD1
 &rst iat= 1542, -1, r1= 0, r2= 0, r3= 5.4, r4= 6,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1553,1554,1555,
&end
#
#  99  ILE HB  99  ILE QD1
 &rst iat= 1544, -1, r1= 0, r2= 0, r3= 4.44, r4= 5.04,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1553,1554,1555,
&end
#
#  99  ILE QG2  99  ILE QD1
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 4.896, r4= 5.616,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1546,1547,1548,
igr2= 1553,1554,1555,
&end
#
#  99  ILE H  100  ARG H
 &rst iat= 1540,1559, r1= 0, r2= 0, r3= 5.4, r4= 5.9,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  99  ILE HB  100  ARG H
 &rst iat= 1544,1559, r1= 0, r2= 0, r3= 4.3, r4= 4.8,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  99  ILE QG2  100  ARG H
 &rst iat= -1,1559, r1= 0, r2= 0, r3= 5.04, r4= 5.64,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1546,1547,1548,
&end
#
#  99  ILE H  101  ILE H
 &rst iat= 1540,1583, r1= 0, r2= 0, r3= 5.9, r4= 6.4,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  99  ILE H  101  ILE QG2
 &rst iat= 1540, -1, r1= 0, r2= 0, r3= 6.36, r4= 6.96,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1589,1590,1591,
&end
#
#  99  ILE HB  101  ILE QG2
 &rst iat= 1544, -1, r1= 0, r2= 0, r3= 5.76, r4= 6.36,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1589,1590,1591,
&end
#
#  99  ILE QG1  101  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= 1550,1551,
igr2= 1589,1590,1591,
&end
#
#  99  ILE QG2  101  ILE QG2
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.336, r4= 7.056,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1546,1547,1548,
igr2= 1589,1590,1591,
&end
#
#  99  ILE QG1  101  ILE QD1
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 8.064, r4= 8.736,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1550,1551,
igr2= 1596,1597,1598,
&end
#
#  99  ILE QD1  101  ILE HA
 &rst iat= -1,1585, r1= 0, r2= 0, r3= 6.36, r4= 6.96,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1553,1554,1555,
&end
#
#  99  ILE QD1  101  ILE QG2
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.04, r4= 5.76,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1553,1554,1555,
igr2= 1589,1590,1591,
&end
#
#  99  ILE QD1  101  ILE QD1
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.912, r4= 7.632,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1553,1554,1555,
igr2= 1596,1597,1598,
&end
#
#  99  ILE H  110  PHE HA
 &rst iat= 1540,1706, r1= 0, r2= 0, r3= 6, r4= 6.5,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  99  ILE H  110  PHE QD
 &rst iat= 1540, -1, r1= 0, r2= 0, r3= 6.496, r4= 7.056,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1712,1720,
&end
#
#  99  ILE QG1  110  PHE HA
 &rst iat= -1,1706, r1= 0, r2= 0, r3= 6.72, r4= 7.28,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1550,1551,
&end
#
#  99  ILE H  111  ILE H
 &rst iat= 1540,1724, r1= 0, r2= 0, r3= 4.7, r4= 5.2,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  99  ILE H  111  ILE QG2
 &rst iat= 1540, -1, r1= 0, r2= 0, r3= 6.48, r4= 7.08,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1730,1731,1732,
&end
#
#  99  ILE H  111  ILE QD1
 &rst iat= 1540, -1, r1= 0, r2= 0, r3= 5.88, r4= 6.48,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1737,1738,1739,
&end
#
#  99  ILE QG1  111  ILE H
 &rst iat= -1,1724, r1= 0, r2= 0, r3= 5.488, r4= 6.048,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1550,1551,
&end
#
#  99  ILE QG1  111  ILE QG1
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 4.3904, r4= 5.0176,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1550,1551,
igr2= 1734,1735,
&end
#
#  99  ILE QG1  111  ILE QD1
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 8.064, r4= 8.736,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1550,1551,
igr2= 1737,1738,1739,
&end
#
#  99  ILE QG2  111  ILE QD1
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 7.2, r4= 7.92,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1546,1547,1548,
igr2= 1737,1738,1739,
&end
#
#  99  ILE QD1  111  ILE H
 &rst iat= -1,1724, r1= 0, r2= 0, r3= 6.72, r4= 7.32,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1553,1554,1555,
&end
#
#  99  ILE QD1  111  ILE QG1
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.5856, r4= 7.2576,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1553,1554,1555,
igr2= 1734,1735,
&end
#
#  99  ILE QD1  111  ILE QD1
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.472, r4= 6.192,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1553,1554,1555,
igr2= 1737,1738,1739,
&end
#
#  99  ILE H  112  GLY QA
 &rst iat= 1540, -1, r1= 0, r2= 0, r3= 6.048, r4= 6.608,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1745,1746,
&end
#
#  99  ILE H  113  ILE H
 &rst iat= 1540,1750, r1= 0, r2= 0, r3= 5.8, r4= 6.3,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  99  ILE H  113  ILE QD1
 &rst iat= 1540, -1, r1= 0, r2= 0, r3= 6.12, r4= 6.72,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1763,1764,1765,
&end
#
#  99  ILE HA  113  ILE QD1
 &rst iat= 1542, -1, r1= 0, r2= 0, r3= 6.72, r4= 7.32,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1763,1764,1765,
&end
#
#  99  ILE HB  113  ILE QD1
 &rst iat= 1544, -1, r1= 0, r2= 0, r3= 6.6, r4= 7.2,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1763,1764,1765,
&end
#
#  99  ILE QG1  113  ILE H
 &rst iat= -1,1750, r1= 0, r2= 0, r3= 6.496, r4= 7.056,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1550,1551,
&end
#
#  99  ILE QG2  113  ILE HB
 &rst iat= -1,1754, r1= 0, r2= 0, r3= 7.2, r4= 7.8,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1546,1547,1548,
&end
#
#  99  ILE QG1  113  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= 1550,1551,
igr2= 1760,1761,
&end
#
#  99  ILE QG1  113  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= 1550,1551,
igr2= 1756,1757,1758,
&end
#
#  99  ILE QG2  113  ILE QG1
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 7.2576, r4= 7.9296,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1546,1547,1548,
igr2= 1760,1761,
&end
#
#  99  ILE QG1  113  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= 1550,1551,
igr2= 1763,1764,1765,
&end
#
#  99  ILE QG2  113  ILE QD1
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.616, r4= 6.336,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1546,1547,1548,
igr2= 1763,1764,1765,
&end
#
#  99  ILE QD1  113  ILE QG1
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.3168, r4= 6.9888,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1553,1554,1555,
igr2= 1760,1761,
&end
#
#  99  ILE QD1  113  ILE QD1
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.048, r4= 6.768,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1553,1554,1555,
igr2= 1763,1764,1765,
&end
#
#  99  ILE QG2  124  PHE QD
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.4512, r4= 7.1232,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1546,1547,1548,
igr2= 1915,1923,
&end
#
#  99  ILE QG1  124  PHE QE
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.52288, r4= 7.15008,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1550,1551,
igr2= 1917,1921,
&end
#
#  99  ILE QG2  124  PHE QE
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.72, r4= 7.392,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1546,1547,1548,
igr2= 1917,1921,
&end
#
#  99  ILE QD1  124  PHE QD
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 7.6608, r4= 8.3328,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1553,1554,1555,
igr2= 1915,1923,
&end
#
#  99  ILE QD1  124  PHE QE
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 7.2576, r4= 7.9296,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1553,1554,1555,
igr2= 1917,1921,
&end
#
#  100  ARG H  100  ARG QD
 &rst iat= 1559, -1, r1= 0, r2= 0, r3= 6.72, r4= 7.28,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1569,1570,
&end
#
#  100  ARG HA  100  ARG QD
 &rst iat= 1561, -1, r1= 0, r2= 0, r3= 5.04, r4= 5.6,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1569,1570,
&end
#
#  100  ARG QB  100  ARG QD
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 4.64128, r4= 5.26848,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1563,1564,
igr2= 1569,1570,
&end
#
#  100  ARG H  101  ILE H
 &rst iat= 1559,1583, r1= 0, r2= 0, r3= 5.1, r4= 5.6,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  100  ARG H  101  ILE QG2
 &rst iat= 1559, -1, r1= 0, r2= 0, r3= 6.12, r4= 6.72,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1589,1590,1591,
&end
#
#  100  ARG HA  101  ILE H
 &rst iat= 1561,1583, r1= 0, r2= 0, r3= 2.5, r4= 3,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  100  ARG HA  101  ILE QG1
 &rst iat= 1561, -1, r1= 0, r2= 0, r3= 5.936, r4= 6.496,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1593,1594,
&end
#
#  100  ARG HA  101  ILE QG2
 &rst iat= 1561, -1, r1= 0, r2= 0, r3= 6, r4= 6.6,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1589,1590,1591,
&end
#
#  100  ARG HA  101  ILE QD1
 &rst iat= 1561, -1, r1= 0, r2= 0, r3= 6.84, r4= 7.44,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1596,1597,1598,
&end
#
#  100  ARG QB  101  ILE H
 &rst iat= -1,1583, r1= 0, r2= 0, r3= 6.16, r4= 6.72,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1563,1564,
&end
#
#  100  ARG QB  101  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= 1563,1564,
igr2= 1589,1590,1591,
&end
#
#  100  ARG QD  101  ILE H
 &rst iat= -1,1583, r1= 0, r2= 0, r3= 6.72, r4= 7.28,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1569,1570,
&end
#
#  100  ARG QD  101  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= 1569,1570,
igr2= 1589,1590,1591,
&end
#
#  100  ARG HA  108  SER QB
 &rst iat= 1561, -1, r1= 0, r2= 0, r3= 5.6, r4= 6.16,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1687,1688,
&end
#
#  100  ARG QD  108  SER QB
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.77024, r4= 6.39744,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1569,1570,
igr2= 1687,1688,
&end
#
#  100  ARG HA  109  ALA QB
 &rst iat= 1561, -1, r1= 0, r2= 0, r3= 6.72, r4= 7.32,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1698,1699,1700,
&end
#
#  100  ARG QD  109  ALA H
 &rst iat= -1,1694, r1= 0, r2= 0, r3= 6.72, r4= 7.28,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1569,1570,
&end
#
#  100  ARG H  110  PHE QD
 &rst iat= 1559, -1, r1= 0, r2= 0, r3= 5.488, r4= 6.048,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1712,1720,
&end
#
#  100  ARG HA  110  PHE HA
 &rst iat= 1561,1706, r1= 0, r2= 0, r3= 4.4, r4= 4.9,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  100  ARG QB  110  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= 1563,1564,
igr2= 1712,1720,
&end
#
#  100  ARG QB  110  PHE QE
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.0176, r4= 5.6448,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1563,1564,
igr2= 1714,1718,
&end
#
#  100  ARG QB  110  PHE HZ
 &rst iat= -1,1716, r1= 0, r2= 0, r3= 5.824, r4= 6.384,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1563,1564,
&end
#
#  100  ARG QD  110  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= 1569,1570,
igr2= 1712,1720,
&end
#
#  100  ARG QD  110  PHE QE
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.51936, r4= 6.14656,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1569,1570,
igr2= 1714,1718,
&end
#
#  100  ARG H  111  ILE H
 &rst iat= 1559,1724, r1= 0, r2= 0, r3= 6, r4= 6.5,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  100  ARG HA  111  ILE QG2
 &rst iat= 1561, -1, r1= 0, r2= 0, r3= 6.72, r4= 7.32,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1730,1731,1732,
&end
#
#  101  ILE H  101  ILE QG1
 &rst iat= 1583, -1, r1= 0, r2= 0, r3= 4.704, r4= 5.264,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1593,1594,
&end
#
#  101  ILE H  101  ILE QG2
 &rst iat= 1583, -1, r1= 0, r2= 0, r3= 4.8, r4= 5.4,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1589,1590,1591,
&end
#
#  101  ILE H  101  ILE QD1
 &rst iat= 1583, -1, r1= 0, r2= 0, r3= 4.68, r4= 5.28,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1596,1597,1598,
&end
#
#  101  ILE HA  101  ILE QG2
 &rst iat= 1585, -1, r1= 0, r2= 0, r3= 4.32, r4= 4.92,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1589,1590,1591,
&end
#
#  101  ILE HA  101  ILE QD1
 &rst iat= 1585, -1, r1= 0, r2= 0, r3= 5.04, r4= 5.64,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1596,1597,1598,
&end
#
#  101  ILE HB  101  ILE QD1
 &rst iat= 1587, -1, r1= 0, r2= 0, r3= 4.08, r4= 4.68,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1596,1597,1598,
&end
#
#  101  ILE QG2  101  ILE QG1
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.1072, r4= 5.7792,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1589,1590,1591,
igr2= 1593,1594,
&end
#
#  101  ILE QG2  101  ILE QD1
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 4.752, r4= 5.472,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1589,1590,1591,
igr2= 1596,1597,1598,
&end
#
#  101  ILE H  102  GLN H
 &rst iat= 1583,1602, r1= 0, r2= 0, r3= 4.9, r4= 5.4,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  101  ILE HA  102  GLN H
 &rst iat= 1585,1602, r1= 0, r2= 0, r3= 3.5, r4= 4,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  101  ILE HB  102  GLN H
 &rst iat= 1587,1602, r1= 0, r2= 0, r3= 4, r4= 4.5,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  101  ILE QG2  102  GLN H
 &rst iat= -1,1602, r1= 0, r2= 0, r3= 4.68, r4= 5.28,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1589,1590,1591,
&end
#
#  101  ILE QD1  102  GLN H
 &rst iat= -1,1602, r1= 0, r2= 0, r3= 5.4, r4= 6,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1596,1597,1598,
&end
#
#  101  ILE QD1  103  ASP H
 &rst iat= -1,1619, r1= 0, r2= 0, r3= 6.6, r4= 7.2,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1596,1597,1598,
&end
#
#  101  ILE QD1  103  ASP HA
 &rst iat= -1,1621, r1= 0, r2= 0, r3= 6.96, r4= 7.56,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1596,1597,1598,
&end
#
#  101  ILE H  108  SER QB
 &rst iat= 1583, -1, r1= 0, r2= 0, r3= 6.384, r4= 6.944,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1687,1688,
&end
#
#  101  ILE QG1  108  SER HA
 &rst iat= -1,1685, r1= 0, r2= 0, r3= 5.824, r4= 6.384,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1593,1594,
&end
#
#  101  ILE QG1  108  SER QB
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 7.5264, r4= 8.1536,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1593,1594,
igr2= 1687,1688,
&end
#
#  101  ILE QD1  108  SER HA
 &rst iat= -1,1685, r1= 0, r2= 0, r3= 6.48, r4= 7.08,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1596,1597,1598,
&end
#
#  101  ILE H  109  ALA QB
 &rst iat= 1583, -1, r1= 0, r2= 0, r3= 6.24, r4= 6.84,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1698,1699,1700,
&end
#
#  101  ILE HB  109  ALA H
 &rst iat= 1587,1694, r1= 0, r2= 0, r3= 5.7, r4= 6.2,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  101  ILE HB  109  ALA QB
 &rst iat= 1587, -1, r1= 0, r2= 0, r3= 6.6, r4= 7.2,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1698,1699,1700,
&end
#
#  101  ILE QG1  109  ALA H
 &rst iat= -1,1694, r1= 0, r2= 0, r3= 5.04, r4= 5.6,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1593,1594,
&end
#
#  101  ILE QG2  109  ALA H
 &rst iat= -1,1694, r1= 0, r2= 0, r3= 6.36, r4= 6.96,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1589,1590,1591,
&end
#
#  101  ILE QG1  109  ALA HA
 &rst iat= -1,1696, r1= 0, r2= 0, r3= 5.824, r4= 6.384,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1593,1594,
&end
#
#  101  ILE QG1  109  ALA QB
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.376, r4= 6.048,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1593,1594,
igr2= 1698,1699,1700,
&end
#
#  101  ILE QD1  109  ALA H
 &rst iat= -1,1694, r1= 0, r2= 0, r3= 5.88, r4= 6.48,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1596,1597,1598,
&end
#
#  101  ILE QD1  109  ALA HA
 &rst iat= -1,1696, r1= 0, r2= 0, r3= 6.12, r4= 6.72,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1596,1597,1598,
&end
#
#  101  ILE QD1  109  ALA QB
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.328, r4= 6.048,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1596,1597,1598,
igr2= 1698,1699,1700,
&end
#
#  101  ILE H  110  PHE HA
 &rst iat= 1583,1706, r1= 0, r2= 0, r3= 4.6, r4= 5.1,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  101  ILE H  110  PHE QD
 &rst iat= 1583, -1, r1= 0, r2= 0, r3= 6.16, r4= 6.72,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1712,1720,
&end
#
#  101  ILE QG1  110  PHE HA
 &rst iat= -1,1706, r1= 0, r2= 0, r3= 5.936, r4= 6.496,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1593,1594,
&end
#
#  101  ILE QG2  110  PHE HA
 &rst iat= -1,1706, r1= 0, r2= 0, r3= 7.2, r4= 7.8,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1589,1590,1591,
&end
#
#  101  ILE QD1  110  PHE H
 &rst iat= -1,1704, r1= 0, r2= 0, r3= 6.96, r4= 7.56,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1596,1597,1598,
&end
#
#  101  ILE H  111  ILE H
 &rst iat= 1583,1724, r1= 0, r2= 0, r3= 4.8, r4= 5.3,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  101  ILE H  111  ILE QG2
 &rst iat= 1583, -1, r1= 0, r2= 0, r3= 6.24, r4= 6.84,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1730,1731,1732,
&end
#
#  101  ILE HA  111  ILE QG1
 &rst iat= 1585, -1, r1= 0, r2= 0, r3= 6.72, r4= 7.28,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1734,1735,
&end
#
#  101  ILE HA  111  ILE QD1
 &rst iat= 1585, -1, r1= 0, r2= 0, r3= 7.2, r4= 7.8,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1737,1738,1739,
&end
#
#  101  ILE QG2  111  ILE H
 &rst iat= -1,1724, r1= 0, r2= 0, r3= 7.08, r4= 7.68,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1589,1590,1591,
&end
#
#  101  ILE QG1  111  ILE QG1
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 4.64128, r4= 5.26848,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1593,1594,
igr2= 1734,1735,
&end
#
#  101  ILE QG1  111  ILE QG2
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.9136, r4= 6.5856,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1593,1594,
igr2= 1730,1731,1732,
&end
#
#  101  ILE QG2  111  ILE QG1
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 8.064, r4= 8.736,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1589,1590,1591,
igr2= 1734,1735,
&end
#
#  101  ILE QD1  111  ILE H
 &rst iat= -1,1724, r1= 0, r2= 0, r3= 6.72, r4= 7.32,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1596,1597,1598,
&end
#
#  101  ILE QD1  111  ILE QG1
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.5856, r4= 7.2576,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1596,1597,1598,
igr2= 1734,1735,
&end
#
#  101  ILE QD1  111  ILE QG2
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.04, r4= 5.76,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1596,1597,1598,
igr2= 1730,1731,1732,
&end
#
#  101  ILE QD1  111  ILE QD1
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.04, r4= 5.76,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1596,1597,1598,
igr2= 1737,1738,1739,
&end
#
#  102  GLN H  102  GLN QB
 &rst iat= 1602, -1, r1= 0, r2= 0, r3= 4.368, r4= 4.928,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1606,1607,
&end
#
#  102  GLN H  102  GLN QG
 &rst iat= 1602, -1, r1= 0, r2= 0, r3= 5.376, r4= 5.936,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1609,1610,
&end
#
#  102  GLN HA  102  GLN QE
 &rst iat= 1604, -1, r1= 0, r2= 0, r3= 6.72, r4= 7.28,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1614,1615,
&end
#
#  102  GLN QB  102  GLN QE
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.272, r4= 6.8992,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1606,1607,
igr2= 1614,1615,
&end
#
#  102  GLN H  103  ASP H
 &rst iat= 1602,1619, r1= 0, r2= 0, r3= 5.2, r4= 5.7,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  102  GLN HA  103  ASP H
 &rst iat= 1604,1619, r1= 0, r2= 0, r3= 3.2, r4= 3.7,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  102  GLN HA  103  ASP HA
 &rst iat= 1604,1621, r1= 0, r2= 0, r3= 5.2, r4= 5.7,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  102  GLN QB  103  ASP H
 &rst iat= -1,1619, r1= 0, r2= 0, r3= 4.592, r4= 5.152,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1606,1607,
&end
#
#  102  GLN QG  103  ASP H
 &rst iat= -1,1619, r1= 0, r2= 0, r3= 5.04, r4= 5.6,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1609,1610,
&end
#
#  102  GLN QE  103  ASP H
 &rst iat= -1,1619, r1= 0, r2= 0, r3= 6.72, r4= 7.28,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1614,1615,
&end
#
#  102  GLN QE  103  ASP HA
 &rst iat= -1,1621, r1= 0, r2= 0, r3= 6.72, r4= 7.28,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1614,1615,
&end
#
#  102  GLN HA  104  GLY H
 &rst iat= 1604,1631, r1= 0, r2= 0, r3= 6, r4= 6.5,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  102  GLN QB  104  GLY QA
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 7.15008, r4= 7.77728,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1606,1607,
igr2= 1633,1634,
&end
#
#  102  GLN QG  104  GLY H
 &rst iat= -1,1631, r1= 0, r2= 0, r3= 6.72, r4= 7.28,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1609,1610,
&end
#
#  102  GLN QE  104  GLY H
 &rst iat= -1,1631, r1= 0, r2= 0, r3= 6.72, r4= 7.28,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1614,1615,
&end
#
#  102  GLN QE  104  GLY QA
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.52288, r4= 7.15008,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1614,1615,
igr2= 1633,1634,
&end
#
#  102  GLN QG  105  THR H
 &rst iat= -1,1638, r1= 0, r2= 0, r3= 6.72, r4= 7.28,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1609,1610,
&end
#
#  102  GLN QE  105  THR H
 &rst iat= -1,1638, r1= 0, r2= 0, r3= 6.496, r4= 7.056,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1614,1615,
&end
#
#  102  GLN QB  106  GLY H
 &rst iat= -1,1652, r1= 0, r2= 0, r3= 6.72, r4= 7.28,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1606,1607,
&end
#
#  102  GLN QE  106  GLY H
 &rst iat= -1,1652, r1= 0, r2= 0, r3= 6.72, r4= 7.28,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1614,1615,
&end
#
#  102  GLN QE  106  GLY QA
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.64832, r4= 7.27552,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1614,1615,
igr2= 1654,1655,
&end
#
#  102  GLN HA  107  ARG H
 &rst iat= 1604,1659, r1= 0, r2= 0, r3= 5.2, r4= 5.7,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  102  GLN QB  107  ARG H
 &rst iat= -1,1659, r1= 0, r2= 0, r3= 6.72, r4= 7.28,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1606,1607,
&end
#
#  102  GLN QG  107  ARG H
 &rst iat= -1,1659, r1= 0, r2= 0, r3= 6.72, r4= 7.28,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1609,1610,
&end
#
#  102  GLN QE  107  ARG HA
 &rst iat= -1,1661, r1= 0, r2= 0, r3= 6.72, r4= 7.28,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1614,1615,
&end
#
#  102  GLN HA  108  SER H
 &rst iat= 1604,1683, r1= 0, r2= 0, r3= 5.2, r4= 5.7,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  102  GLN HA  108  SER HA
 &rst iat= 1604,1685, r1= 0, r2= 0, r3= 3.5, r4= 4,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  102  GLN HA  108  SER QB
 &rst iat= 1604, -1, r1= 0, r2= 0, r3= 4.816, r4= 5.376,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1687,1688,
&end
#
#  102  GLN QB  108  SER HA
 &rst iat= -1,1685, r1= 0, r2= 0, r3= 5.264, r4= 5.824,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1606,1607,
&end
#
#  102  GLN QB  108  SER QB
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 7.5264, r4= 8.1536,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1606,1607,
igr2= 1687,1688,
&end
#
#  102  GLN QG  108  SER HA
 &rst iat= -1,1685, r1= 0, r2= 0, r3= 4.928, r4= 5.488,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1609,1610,
&end
#
#  102  GLN QG  108  SER QB
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.02112, r4= 6.64832,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1609,1610,
igr2= 1687,1688,
&end
#
#  102  GLN QE  108  SER HA
 &rst iat= -1,1685, r1= 0, r2= 0, r3= 6.272, r4= 6.832,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1614,1615,
&end
#
#  102  GLN H  109  ALA H
 &rst iat= 1602,1694, r1= 0, r2= 0, r3= 5.3, r4= 5.8,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  102  GLN HA  109  ALA H
 &rst iat= 1604,1694, r1= 0, r2= 0, r3= 4, r4= 4.5,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  102  GLN HA  109  ALA QB
 &rst iat= 1604, -1, r1= 0, r2= 0, r3= 6.24, r4= 6.84,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1698,1699,1700,
&end
#
#  102  GLN QB  109  ALA H
 &rst iat= -1,1694, r1= 0, r2= 0, r3= 6.72, r4= 7.28,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1606,1607,
&end
#
#  102  GLN QG  109  ALA H
 &rst iat= -1,1694, r1= 0, r2= 0, r3= 6.16, r4= 6.72,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1609,1610,
&end
#
#  103  ASP H  103  ASP QB
 &rst iat= 1619, -1, r1= 0, r2= 0, r3= 4.368, r4= 4.928,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1623,1624,
&end
#
#  103  ASP H  104  GLY H
 &rst iat= 1619,1631, r1= 0, r2= 0, r3= 5, r4= 5.5,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  103  ASP H  104  GLY QA
 &rst iat= 1619, -1, r1= 0, r2= 0, r3= 6.272, r4= 6.832,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1633,1634,
&end
#
#  103  ASP HA  104  GLY QA
 &rst iat= 1621, -1, r1= 0, r2= 0, r3= 5.488, r4= 6.048,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1633,1634,
&end
#
#  103  ASP QB  104  GLY H
 &rst iat= -1,1631, r1= 0, r2= 0, r3= 5.04, r4= 5.6,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1623,1624,
&end
#
#  103  ASP H  105  THR H
 &rst iat= 1619,1638, r1= 0, r2= 0, r3= 4.8, r4= 5.3,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  103  ASP HA  105  THR H
 &rst iat= 1621,1638, r1= 0, r2= 0, r3= 5.3, r4= 5.8,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  103  ASP HA  105  THR QG2
 &rst iat= 1621, -1, r1= 0, r2= 0, r3= 6, r4= 6.6,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1644,1645,1646,
&end
#
#  103  ASP QB  105  THR H
 &rst iat= -1,1638, r1= 0, r2= 0, r3= 5.264, r4= 5.824,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1623,1624,
&end
#
#  103  ASP QB  105  THR QG2
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.9888, r4= 7.6608,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1623,1624,
igr2= 1644,1645,1646,
&end
#
#  103  ASP QB  106  GLY H
 &rst iat= -1,1652, r1= 0, r2= 0, r3= 6.048, r4= 6.608,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1623,1624,
&end
#
#  103  ASP H  107  ARG H
 &rst iat= 1619,1659, r1= 0, r2= 0, r3= 4.2, r4= 4.7,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  103  ASP H  107  ARG HA
 &rst iat= 1619,1661, r1= 0, r2= 0, r3= 5.5, r4= 6,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  103  ASP H  107  ARG QB
 &rst iat= 1619, -1, r1= 0, r2= 0, r3= 5.152, r4= 5.712,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1663,1664,
&end
#
#  103  ASP H  107  ARG QG
 &rst iat= 1619, -1, r1= 0, r2= 0, r3= 6.384, r4= 6.944,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1666,1667,
&end
#
#  103  ASP QB  107  ARG H
 &rst iat= -1,1659, r1= 0, r2= 0, r3= 5.152, r4= 5.712,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1623,1624,
&end
#
#  103  ASP QB  107  ARG HA
 &rst iat= -1,1661, r1= 0, r2= 0, r3= 6.608, r4= 7.168,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1623,1624,
&end
#
#  103  ASP QB  107  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= 1623,1624,
igr2= 1663,1664,
&end
#
#  103  ASP QB  107  ARG QG
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 4.3904, r4= 5.0176,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1623,1624,
igr2= 1666,1667,
&end
#
#  103  ASP H  108  SER H
 &rst iat= 1619,1683, r1= 0, r2= 0, r3= 4.6, r4= 5.1,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  103  ASP H  108  SER HA
 &rst iat= 1619,1685, r1= 0, r2= 0, r3= 4.1, r4= 4.6,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  103  ASP H  108  SER QB
 &rst iat= 1619, -1, r1= 0, r2= 0, r3= 5.712, r4= 6.272,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1687,1688,
&end
#
#  103  ASP QB  108  SER H
 &rst iat= -1,1683, r1= 0, r2= 0, r3= 6.72, r4= 7.28,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1623,1624,
&end
#
#  103  ASP H  109  ALA H
 &rst iat= 1619,1694, r1= 0, r2= 0, r3= 4.5, r4= 5,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  103  ASP H  109  ALA QB
 &rst iat= 1619, -1, r1= 0, r2= 0, r3= 6.12, r4= 6.72,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1698,1699,1700,
&end
#
#  103  ASP HA  109  ALA H
 &rst iat= 1621,1694, r1= 0, r2= 0, r3= 6, r4= 6.5,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  103  ASP QB  109  ALA QB
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 7.2576, r4= 7.9296,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1623,1624,
igr2= 1698,1699,1700,
&end
#
#  104  GLY H  105  THR H
 &rst iat= 1631,1638, r1= 0, r2= 0, r3= 4.4, r4= 4.9,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  104  GLY H  105  THR QG2
 &rst iat= 1631, -1, r1= 0, r2= 0, r3= 7.2, r4= 7.8,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1644,1645,1646,
&end
#
#  104  GLY QA  105  THR HA
 &rst iat= -1,1640, r1= 0, r2= 0, r3= 5.6, r4= 6.16,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1633,1634,
&end
#
#  104  GLY QA  105  THR QG2
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.9888, r4= 7.6608,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1633,1634,
igr2= 1644,1645,1646,
&end
#
#  104  GLY H  106  GLY H
 &rst iat= 1631,1652, r1= 0, r2= 0, r3= 5.6, r4= 6.1,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  104  GLY QA  106  GLY H
 &rst iat= -1,1652, r1= 0, r2= 0, r3= 5.152, r4= 5.712,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1633,1634,
&end
#
#  104  GLY H  107  ARG H
 &rst iat= 1631,1659, r1= 0, r2= 0, r3= 5.3, r4= 5.8,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  104  GLY QA  107  ARG H
 &rst iat= -1,1659, r1= 0, r2= 0, r3= 6.72, r4= 7.28,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1633,1634,
&end
#
#  104  GLY H  108  SER HA
 &rst iat= 1631,1685, r1= 0, r2= 0, r3= 5, r4= 5.5,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  105  THR H  105  THR HB
 &rst iat= 1638,1642, r1= 0, r2= 0, r3= 4, r4= 4.5,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  105  THR H  105  THR QG2
 &rst iat= 1638, -1, r1= 0, r2= 0, r3= 4.2, r4= 4.8,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1644,1645,1646,
&end
#
#  105  THR HA  105  THR HB
 &rst iat= 1640,1642, r1= 0, r2= 0, r3= 2.8, r4= 3.3,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  105  THR HA  105  THR QG2
 &rst iat= 1640, -1, r1= 0, r2= 0, r3= 3.72, r4= 4.32,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1644,1645,1646,
&end
#
#  105  THR H  106  GLY H
 &rst iat= 1638,1652, r1= 0, r2= 0, r3= 3.3, r4= 3.8,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  105  THR H  106  GLY QA
 &rst iat= 1638, -1, r1= 0, r2= 0, r3= 4.928, r4= 5.488,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1654,1655,
&end
#
#  105  THR QG2  106  GLY H
 &rst iat= -1,1652, r1= 0, r2= 0, r3= 5.52, r4= 6.12,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1644,1645,1646,
&end
#
#  105  THR QG2  106  GLY QA
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 7.2576, r4= 7.9296,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1644,1645,1646,
igr2= 1654,1655,
&end
#
#  105  THR H  107  ARG H
 &rst iat= 1638,1659, r1= 0, r2= 0, r3= 3.6, r4= 4.1,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  105  THR H  107  ARG QB
 &rst iat= 1638, -1, r1= 0, r2= 0, r3= 5.376, r4= 5.936,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1663,1664,
&end
#
#  105  THR H  107  ARG QG
 &rst iat= 1638, -1, r1= 0, r2= 0, r3= 4.928, r4= 5.488,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1666,1667,
&end
#
#  105  THR HA  107  ARG H
 &rst iat= 1640,1659, r1= 0, r2= 0, r3= 4.6, r4= 5.1,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  105  THR QG2  107  ARG H
 &rst iat= -1,1659, r1= 0, r2= 0, r3= 6, r4= 6.6,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1644,1645,1646,
&end
#
#  105  THR QG2  107  ARG QB
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 7.1232, r4= 7.7952,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1644,1645,1646,
igr2= 1663,1664,
&end
#
#  105  THR QG2  107  ARG QG
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.4512, r4= 7.1232,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1644,1645,1646,
igr2= 1666,1667,
&end
#
#  105  THR QG2  107  ARG QD
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.8544, r4= 7.5264,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1644,1645,1646,
igr2= 1669,1670,
&end
#
#  106  GLY H  107  ARG H
 &rst iat= 1652,1659, r1= 0, r2= 0, r3= 3.4, r4= 3.9,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  106  GLY H  107  ARG QB
 &rst iat= 1652, -1, r1= 0, r2= 0, r3= 5.264, r4= 5.824,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1663,1664,
&end
#
#  106  GLY H  107  ARG QG
 &rst iat= 1652, -1, r1= 0, r2= 0, r3= 5.488, r4= 6.048,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1666,1667,
&end
#
#  106  GLY QA  107  ARG HA
 &rst iat= -1,1661, r1= 0, r2= 0, r3= 5.264, r4= 5.824,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1654,1655,
&end
#
#  106  GLY QA  107  ARG QB
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.02112, r4= 6.64832,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1654,1655,
igr2= 1663,1664,
&end
#
#  107  ARG H  107  ARG QB
 &rst iat= 1659, -1, r1= 0, r2= 0, r3= 3.36, r4= 3.92,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1663,1664,
&end
#
#  107  ARG H  107  ARG QG
 &rst iat= 1659, -1, r1= 0, r2= 0, r3= 4.256, r4= 4.816,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1666,1667,
&end
#
#  107  ARG H  107  ARG QD
 &rst iat= 1659, -1, r1= 0, r2= 0, r3= 5.712, r4= 6.272,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1669,1670,
&end
#
#  107  ARG HA  107  ARG QB
 &rst iat= 1661, -1, r1= 0, r2= 0, r3= 3.36, r4= 3.92,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1663,1664,
&end
#
#  107  ARG HA  107  ARG QG
 &rst iat= 1661, -1, r1= 0, r2= 0, r3= 4.032, r4= 4.592,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1666,1667,
&end
#
#  107  ARG HA  107  ARG QD
 &rst iat= 1661, -1, r1= 0, r2= 0, r3= 4.816, r4= 5.376,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1669,1670,
&end
#
#  107  ARG QB  107  ARG QD
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 3.88864, r4= 4.51584,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1663,1664,
igr2= 1669,1670,
&end
#
#  107  ARG QG  107  ARG QD
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 3.7632, r4= 4.3904,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1666,1667,
igr2= 1669,1670,
&end
#
#  107  ARG HA  108  SER H
 &rst iat= 1661,1683, r1= 0, r2= 0, r3= 2.8, r4= 3.3,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  107  ARG HA  108  SER HA
 &rst iat= 1661,1685, r1= 0, r2= 0, r3= 4.7, r4= 5.2,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  107  ARG HA  108  SER QB
 &rst iat= 1661, -1, r1= 0, r2= 0, r3= 5.488, r4= 6.048,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1687,1688,
&end
#
#  107  ARG QB  108  SER H
 &rst iat= -1,1683, r1= 0, r2= 0, r3= 3.92, r4= 4.48,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1663,1664,
&end
#
#  107  ARG QB  108  SER HA
 &rst iat= -1,1685, r1= 0, r2= 0, r3= 5.6, r4= 6.16,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1663,1664,
&end
#
#  107  ARG QB  108  SER QB
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 7.5264, r4= 8.1536,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1663,1664,
igr2= 1687,1688,
&end
#
#  107  ARG QG  108  SER H
 &rst iat= -1,1683, r1= 0, r2= 0, r3= 5.04, r4= 5.6,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1666,1667,
&end
#
#  107  ARG QD  108  SER H
 &rst iat= -1,1683, r1= 0, r2= 0, r3= 6.16, r4= 6.72,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1669,1670,
&end
#
#  107  ARG QG  109  ALA QB
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.4512, r4= 7.1232,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1666,1667,
igr2= 1698,1699,1700,
&end
#
#  107  ARG QD  109  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= 1669,1670,
igr2= 1698,1699,1700,
&end
#
#  108  SER H  108  SER QB
 &rst iat= 1683, -1, r1= 0, r2= 0, r3= 3.92, r4= 4.48,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1687,1688,
&end
#
#  108  SER H  109  ALA QB
 &rst iat= 1683, -1, r1= 0, r2= 0, r3= 6.6, r4= 7.2,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1698,1699,1700,
&end
#
#  108  SER HA  109  ALA H
 &rst iat= 1685,1694, r1= 0, r2= 0, r3= 3.3, r4= 3.8,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  108  SER HA  109  ALA HA
 &rst iat= 1685,1696, r1= 0, r2= 0, r3= 4.7, r4= 5.2,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  108  SER HA  109  ALA QB
 &rst iat= 1685, -1, r1= 0, r2= 0, r3= 5.16, r4= 5.76,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1698,1699,1700,
&end
#
#  108  SER QB  109  ALA H
 &rst iat= -1,1694, r1= 0, r2= 0, r3= 3.696, r4= 4.256,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1687,1688,
&end
#
#  108  SER QB  109  ALA HA
 &rst iat= -1,1696, r1= 0, r2= 0, r3= 5.376, r4= 5.936,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1687,1688,
&end
#
#  108  SER QB  109  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= 1687,1688,
igr2= 1698,1699,1700,
&end
#
#  108  SER QB  110  PHE H
 &rst iat= -1,1704, r1= 0, r2= 0, r3= 6.384, r4= 6.944,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1687,1688,
&end
#
#  108  SER QB  110  PHE QE
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 7.02464, r4= 7.65184,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1687,1688,
igr2= 1714,1718,
&end
#
#  109  ALA H  109  ALA QB
 &rst iat= 1694, -1, r1= 0, r2= 0, r3= 4.68, r4= 5.28,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1698,1699,1700,
&end
#
#  109  ALA H  110  PHE HA
 &rst iat= 1694,1706, r1= 0, r2= 0, r3= 5.6, r4= 6.1,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  109  ALA H  110  PHE QD
 &rst iat= 1694, -1, r1= 0, r2= 0, r3= 6.496, r4= 7.056,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1712,1720,
&end
#
#  109  ALA HA  110  PHE H
 &rst iat= 1696,1704, r1= 0, r2= 0, r3= 3, r4= 3.5,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  109  ALA HA  110  PHE QB
 &rst iat= 1696, -1, r1= 0, r2= 0, r3= 5.712, r4= 6.272,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1708,1709,
&end
#
#  109  ALA HA  110  PHE QD
 &rst iat= 1696, -1, r1= 0, r2= 0, r3= 4.928, r4= 5.488,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1712,1720,
&end
#
#  109  ALA QB  110  PHE H
 &rst iat= -1,1704, r1= 0, r2= 0, r3= 4.32, r4= 4.92,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1698,1699,1700,
&end
#
#  109  ALA QB  110  PHE HA
 &rst iat= -1,1706, r1= 0, r2= 0, r3= 6.6, r4= 7.2,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1698,1699,1700,
&end
#
#  109  ALA QB  110  PHE QD
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.4512, r4= 7.1232,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1698,1699,1700,
igr2= 1712,1720,
&end
#
#  109  ALA HA  111  ILE H
 &rst iat= 1696,1724, r1= 0, r2= 0, r3= 6, r4= 6.5,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  109  ALA HA  111  ILE QG2
 &rst iat= 1696, -1, r1= 0, r2= 0, r3= 6.6, r4= 7.2,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1730,1731,1732,
&end
#
#  109  ALA QB  111  ILE H
 &rst iat= -1,1724, r1= 0, r2= 0, r3= 6.24, r4= 6.84,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1698,1699,1700,
&end
#
#  109  ALA QB  111  ILE HA
 &rst iat= -1,1726, r1= 0, r2= 0, r3= 6.36, r4= 6.96,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1698,1699,1700,
&end
#
#  109  ALA QB  111  ILE QG2
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.616, r4= 6.336,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1698,1699,1700,
igr2= 1730,1731,1732,
&end
#
#  109  ALA QB  111  ILE QD1
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 8.352, r4= 9.072,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1698,1699,1700,
igr2= 1737,1738,1739,
&end
#
#  110  PHE H  110  PHE QB
 &rst iat= 1704, -1, r1= 0, r2= 0, r3= 4.592, r4= 5.152,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1708,1709,
&end
#
#  110  PHE H  110  PHE QD
 &rst iat= 1704, -1, r1= 0, r2= 0, r3= 4.256, r4= 4.816,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1712,1720,
&end
#
#  110  PHE H  110  PHE QE
 &rst iat= 1704, -1, r1= 0, r2= 0, r3= 4.928, r4= 5.488,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1714,1718,
&end
#
#  110  PHE HA  110  PHE QD
 &rst iat= 1706, -1, r1= 0, r2= 0, r3= 4.704, r4= 5.264,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1712,1720,
&end
#
#  110  PHE HA  110  PHE QE
 &rst iat= 1706, -1, r1= 0, r2= 0, r3= 5.376, r4= 5.936,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1714,1718,
&end
#
#  110  PHE H  111  ILE H
 &rst iat= 1704,1724, r1= 0, r2= 0, r3= 4.8, r4= 5.3,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  110  PHE H  111  ILE QG2
 &rst iat= 1704, -1, r1= 0, r2= 0, r3= 6.36, r4= 6.96,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1730,1731,1732,
&end
#
#  110  PHE HA  111  ILE H
 &rst iat= 1706,1724, r1= 0, r2= 0, r3= 3.4, r4= 3.9,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  110  PHE HA  111  ILE QG1
 &rst iat= 1706, -1, r1= 0, r2= 0, r3= 5.712, r4= 6.272,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1734,1735,
&end
#
#  110  PHE HA  111  ILE QG2
 &rst iat= 1706, -1, r1= 0, r2= 0, r3= 6.24, r4= 6.84,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1730,1731,1732,
&end
#
#  110  PHE HA  111  ILE QD1
 &rst iat= 1706, -1, r1= 0, r2= 0, r3= 7.2, r4= 7.8,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1737,1738,1739,
&end
#
#  110  PHE QB  111  ILE H
 &rst iat= -1,1724, r1= 0, r2= 0, r3= 5.152, r4= 5.712,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1708,1709,
&end
#
#  110  PHE QD  111  ILE H
 &rst iat= -1,1724, r1= 0, r2= 0, r3= 5.6, r4= 6.16,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1712,1720,
&end
#
#  111  ILE H  111  ILE QG1
 &rst iat= 1724, -1, r1= 0, r2= 0, r3= 5.04, r4= 5.6,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1734,1735,
&end
#
#  111  ILE H  111  ILE QG2
 &rst iat= 1724, -1, r1= 0, r2= 0, r3= 4.92, r4= 5.52,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1730,1731,1732,
&end
#
#  111  ILE H  111  ILE QD1
 &rst iat= 1724, -1, r1= 0, r2= 0, r3= 5.52, r4= 6.12,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1737,1738,1739,
&end
#
#  111  ILE HA  111  ILE QG2
 &rst iat= 1726, -1, r1= 0, r2= 0, r3= 4.2, r4= 4.8,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1730,1731,1732,
&end
#
#  111  ILE HA  111  ILE QD1
 &rst iat= 1726, -1, r1= 0, r2= 0, r3= 5.4, r4= 6,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1737,1738,1739,
&end
#
#  111  ILE HB  111  ILE QD1
 &rst iat= 1728, -1, r1= 0, r2= 0, r3= 4.2, r4= 4.8,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1737,1738,1739,
&end
#
#  111  ILE QG2  111  ILE QG1
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 4.5696, r4= 5.2416,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1730,1731,1732,
igr2= 1734,1735,
&end
#
#  111  ILE QG2  111  ILE QD1
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 4.608, r4= 5.328,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1730,1731,1732,
igr2= 1737,1738,1739,
&end
#
#  111  ILE H  112  GLY H
 &rst iat= 1724,1743, r1= 0, r2= 0, r3= 5.9, r4= 6.4,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  111  ILE H  112  GLY QA
 &rst iat= 1724, -1, r1= 0, r2= 0, r3= 5.712, r4= 6.272,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1745,1746,
&end
#
#  111  ILE HA  112  GLY QA
 &rst iat= 1726, -1, r1= 0, r2= 0, r3= 5.936, r4= 6.496,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1745,1746,
&end
#
#  111  ILE HB  112  GLY H
 &rst iat= 1728,1743, r1= 0, r2= 0, r3= 3.8, r4= 4.3,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  111  ILE HB  112  GLY QA
 &rst iat= 1728, -1, r1= 0, r2= 0, r3= 5.488, r4= 6.048,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1745,1746,
&end
#
#  111  ILE QG1  112  GLY H
 &rst iat= -1,1743, r1= 0, r2= 0, r3= 5.824, r4= 6.384,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1734,1735,
&end
#
#  111  ILE QG2  112  GLY H
 &rst iat= -1,1743, r1= 0, r2= 0, r3= 4.92, r4= 5.52,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1730,1731,1732,
&end
#
#  111  ILE QD1  112  GLY H
 &rst iat= -1,1743, r1= 0, r2= 0, r3= 5.76, r4= 6.36,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1737,1738,1739,
&end
#
#  111  ILE QD1  112  GLY QA
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 7.7952, r4= 8.4672,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1737,1738,1739,
igr2= 1745,1746,
&end
#
#  111  ILE HB  113  ILE H
 &rst iat= 1728,1750, r1= 0, r2= 0, r3= 6, r4= 6.5,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  111  ILE HB  113  ILE HA
 &rst iat= 1728,1752, r1= 0, r2= 0, r3= 4.9, r4= 5.4,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  111  ILE HB  113  ILE QG1
 &rst iat= 1728, -1, r1= 0, r2= 0, r3= 6.048, r4= 6.608,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1760,1761,
&end
#
#  111  ILE QG1  113  ILE H
 &rst iat= -1,1750, r1= 0, r2= 0, r3= 6.72, r4= 7.28,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1734,1735,
&end
#
#  111  ILE QG1  113  ILE QG1
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.39744, r4= 7.02464,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1734,1735,
igr2= 1760,1761,
&end
#
#  111  ILE QG1  113  ILE QG2
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 7.7952, r4= 8.4672,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1734,1735,
igr2= 1756,1757,1758,
&end
#
#  111  ILE QG1  113  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= 1734,1735,
igr2= 1763,1764,1765,
&end
#
#  111  ILE QD1  113  ILE QG1
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.8544, r4= 7.5264,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1737,1738,1739,
igr2= 1760,1761,
&end
#
#  111  ILE QD1  113  ILE QG2
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.912, r4= 7.632,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1737,1738,1739,
igr2= 1756,1757,1758,
&end
#
#  111  ILE QD1  113  ILE QD1
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.912, r4= 7.632,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1737,1738,1739,
igr2= 1763,1764,1765,
&end
#
#  112  GLY H  113  ILE H
 &rst iat= 1743,1750, r1= 0, r2= 0, r3= 4.8, r4= 5.3,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  113  ILE H  113  ILE QG1
 &rst iat= 1750, -1, r1= 0, r2= 0, r3= 4.928, r4= 5.488,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1760,1761,
&end
#
#  113  ILE H  113  ILE QG2
 &rst iat= 1750, -1, r1= 0, r2= 0, r3= 5.16, r4= 5.76,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1756,1757,1758,
&end
#
#  113  ILE H  113  ILE QD1
 &rst iat= 1750, -1, r1= 0, r2= 0, r3= 5.76, r4= 6.36,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1763,1764,1765,
&end
#
#  113  ILE HA  113  ILE QG2
 &rst iat= 1752, -1, r1= 0, r2= 0, r3= 4.44, r4= 5.04,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1756,1757,1758,
&end
#
#  113  ILE HA  113  ILE QD1
 &rst iat= 1752, -1, r1= 0, r2= 0, r3= 5.76, r4= 6.36,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1763,1764,1765,
&end
#
#  113  ILE HB  113  ILE QD1
 &rst iat= 1754, -1, r1= 0, r2= 0, r3= 4.92, r4= 5.52,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1763,1764,1765,
&end
#
#  113  ILE QG2  113  ILE QG1
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.5104, r4= 6.1824,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1756,1757,1758,
igr2= 1760,1761,
&end
#
#  113  ILE QG2  113  ILE QD1
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 4.752, r4= 5.472,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1756,1757,1758,
igr2= 1763,1764,1765,
&end
#
#  113  ILE H  114  GLY H
 &rst iat= 1750,1769, r1= 0, r2= 0, r3= 5.5, r4= 6,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  113  ILE H  114  GLY QA
 &rst iat= 1750, -1, r1= 0, r2= 0, r3= 6.72, r4= 7.28,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1771,1772,
&end
#
#  113  ILE HB  114  GLY H
 &rst iat= 1754,1769, r1= 0, r2= 0, r3= 4.3, r4= 4.8,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  113  ILE QG2  114  GLY H
 &rst iat= -1,1769, r1= 0, r2= 0, r3= 5.04, r4= 5.64,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1756,1757,1758,
&end
#
#  113  ILE QD1  114  GLY H
 &rst iat= -1,1769, r1= 0, r2= 0, r3= 6, r4= 6.6,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1763,1764,1765,
&end
#
#  113  ILE HB  115  PHE H
 &rst iat= 1754,1776, r1= 0, r2= 0, r3= 5.6, r4= 6.1,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  113  ILE HB  115  PHE QD
 &rst iat= 1754, -1, r1= 0, r2= 0, r3= 4.816, r4= 5.376,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1784,1792,
&end
#
#  113  ILE HB  115  PHE QE
 &rst iat= 1754, -1, r1= 0, r2= 0, r3= 4.592, r4= 5.152,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1786,1790,
&end
#
#  113  ILE QG2  115  PHE HA
 &rst iat= -1,1778, r1= 0, r2= 0, r3= 6.24, r4= 6.84,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1756,1757,1758,
&end
#
#  113  ILE QG2  115  PHE QD
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.6448, r4= 6.3168,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1756,1757,1758,
igr2= 1784,1792,
&end
#
#  113  ILE QG2  115  PHE QE
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.9136, r4= 6.5856,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1756,1757,1758,
igr2= 1786,1790,
&end
#
#  113  ILE QD1  115  PHE QD
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 7.392, r4= 8.064,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1763,1764,1765,
igr2= 1784,1792,
&end
#
#  113  ILE QD1  115  PHE QE
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.7792, r4= 6.4512,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1763,1764,1765,
igr2= 1786,1790,
&end
#
#  113  ILE QD1  115  PHE HZ
 &rst iat= -1,1788, r1= 0, r2= 0, r3= 6.12, r4= 6.72,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1763,1764,1765,
&end
#
#  113  ILE HB  124  PHE QD
 &rst iat= 1754, -1, r1= 0, r2= 0, r3= 6.272, r4= 6.832,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1915,1923,
&end
#
#  113  ILE HB  124  PHE QE
 &rst iat= 1754, -1, r1= 0, r2= 0, r3= 5.824, r4= 6.384,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1917,1921,
&end
#
#  113  ILE QG2  124  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= 1756,1757,1758,
igr2= 1915,1923,
&end
#
#  113  ILE QG2  124  PHE QE
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 7.2576, r4= 7.9296,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1756,1757,1758,
igr2= 1917,1921,
&end
#
#  113  ILE QD1  124  PHE QD
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.5856, r4= 7.2576,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1763,1764,1765,
igr2= 1915,1923,
&end
#
#  113  ILE QD1  124  PHE QE
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 4.9728, r4= 5.6448,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1763,1764,1765,
igr2= 1917,1921,
&end
#
#  114  GLY H  115  PHE H
 &rst iat= 1769,1776, r1= 0, r2= 0, r3= 5.2, r4= 5.7,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  114  GLY H  115  PHE QE
 &rst iat= 1769, -1, r1= 0, r2= 0, r3= 6.72, r4= 7.28,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1786,1790,
&end
#
#  114  GLY QA  115  PHE QD
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.02112, r4= 6.64832,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1771,1772,
igr2= 1784,1792,
&end
#
#  115  PHE H  115  PHE QD
 &rst iat= 1776, -1, r1= 0, r2= 0, r3= 4.48, r4= 5.04,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1784,1792,
&end
#
#  115  PHE H  115  PHE QE
 &rst iat= 1776, -1, r1= 0, r2= 0, r3= 6.496, r4= 7.056,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1786,1790,
&end
#
#  115  PHE HA  115  PHE QD
 &rst iat= 1778, -1, r1= 0, r2= 0, r3= 4.368, r4= 4.928,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1784,1792,
&end
#
#  115  PHE HA  115  PHE QE
 &rst iat= 1778, -1, r1= 0, r2= 0, r3= 5.6, r4= 6.16,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1786,1790,
&end
#
#  115  PHE H  116  THR H
 &rst iat= 1776,1796, r1= 0, r2= 0, r3= 5.1, r4= 5.6,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  115  PHE HA  116  THR HA
 &rst iat= 1778,1798, r1= 0, r2= 0, r3= 4.3, r4= 4.8,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  115  PHE HA  116  THR HB
 &rst iat= 1778,1800, r1= 0, r2= 0, r3= 5.1, r4= 5.6,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  115  PHE HA  116  THR QG2
 &rst iat= 1778, -1, r1= 0, r2= 0, r3= 6, r4= 6.6,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1802,1803,1804,
&end
#
#  115  PHE QB  116  THR H
 &rst iat= -1,1796, r1= 0, r2= 0, r3= 6.048, r4= 6.608,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1780,1781,
&end
#
#  115  PHE QB  116  THR QG2
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 7.392, r4= 8.064,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1780,1781,
igr2= 1802,1803,1804,
&end
#
#  115  PHE QD  116  THR H
 &rst iat= -1,1796, r1= 0, r2= 0, r3= 5.376, r4= 5.936,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1784,1792,
&end
#
#  115  PHE QD  116  THR HB
 &rst iat= -1,1800, r1= 0, r2= 0, r3= 6.72, r4= 7.28,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1784,1792,
&end
#
#  115  PHE H  117  ASP H
 &rst iat= 1776,1810, r1= 0, r2= 0, r3= 6, r4= 6.5,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  115  PHE QB  117  ASP H
 &rst iat= -1,1810, r1= 0, r2= 0, r3= 5.6, r4= 6.16,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1780,1781,
&end
#
#  115  PHE QD  117  ASP H
 &rst iat= -1,1810, r1= 0, r2= 0, r3= 5.488, r4= 6.048,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1784,1792,
&end
#
#  115  PHE QB  120  ASP QB
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.272, r4= 6.8992,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1780,1781,
igr2= 1857,1858,
&end
#
#  115  PHE QD  120  ASP HA
 &rst iat= -1,1855, r1= 0, r2= 0, r3= 5.936, r4= 6.496,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1784,1792,
&end
#
#  115  PHE QD  120  ASP QB
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.39392, r4= 6.02112,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1784,1792,
igr2= 1857,1858,
&end
#
#  115  PHE QE  120  ASP HA
 &rst iat= -1,1855, r1= 0, r2= 0, r3= 5.6, r4= 6.16,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1786,1790,
&end
#
#  115  PHE H  121  ALA QB
 &rst iat= 1776, -1, r1= 0, r2= 0, r3= 6.48, r4= 7.08,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1869,1870,1871,
&end
#
#  115  PHE HA  121  ALA QB
 &rst iat= 1778, -1, r1= 0, r2= 0, r3= 6.36, r4= 6.96,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1869,1870,1871,
&end
#
#  115  PHE QB  121  ALA H
 &rst iat= -1,1865, r1= 0, r2= 0, r3= 5.6, r4= 6.16,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1780,1781,
&end
#
#  115  PHE QB  121  ALA HA
 &rst iat= -1,1867, r1= 0, r2= 0, r3= 5.264, r4= 5.824,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1780,1781,
&end
#
#  115  PHE QB  121  ALA QB
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.6448, r4= 6.3168,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1780,1781,
igr2= 1869,1870,1871,
&end
#
#  115  PHE QD  121  ALA HA
 &rst iat= -1,1867, r1= 0, r2= 0, r3= 4.368, r4= 4.928,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1784,1792,
&end
#
#  115  PHE QD  121  ALA QB
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 4.8384, r4= 5.5104,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1784,1792,
igr2= 1869,1870,1871,
&end
#
#  115  PHE QE  121  ALA HA
 &rst iat= -1,1867, r1= 0, r2= 0, r3= 5.712, r4= 6.272,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1786,1790,
&end
#
#  115  PHE QE  121  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= 1786,1790,
igr2= 1869,1870,1871,
&end
#
#  115  PHE HZ  121  ALA HA
 &rst iat= 1788,1867, r1= 0, r2= 0, r3= 5.1, r4= 5.6,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  115  PHE QE  124  PHE HA
 &rst iat= -1,1909, r1= 0, r2= 0, r3= 6.272, r4= 6.832,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1786,1790,
&end
#
#  115  PHE QE  124  PHE QB
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.02112, r4= 6.64832,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1786,1790,
igr2= 1911,1912,
&end
#
#  115  PHE HZ  124  PHE QB
 &rst iat= 1788, -1, r1= 0, r2= 0, r3= 5.152, r4= 5.712,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1911,1912,
&end
#
#  115  PHE HZ  124  PHE QD
 &rst iat= 1788, -1, r1= 0, r2= 0, r3= 4.816, r4= 5.376,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1915,1923,
&end
#
#  115  PHE HZ  124  PHE QE
 &rst iat= 1788, -1, r1= 0, r2= 0, r3= 4.816, r4= 5.376,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1917,1921,
&end
#
#  116  THR H  116  THR HB
 &rst iat= 1796,1800, r1= 0, r2= 0, r3= 3.6, r4= 4.1,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  116  THR H  116  THR QG2
 &rst iat= 1796, -1, r1= 0, r2= 0, r3= 4.68, r4= 5.28,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1802,1803,1804,
&end
#
#  116  THR HA  116  THR QG2
 &rst iat= 1798, -1, r1= 0, r2= 0, r3= 3.84, r4= 4.44,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1802,1803,1804,
&end
#
#  116  THR H  117  ASP H
 &rst iat= 1796,1810, r1= 0, r2= 0, r3= 4.2, r4= 4.7,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  116  THR H  117  ASP HA
 &rst iat= 1796,1812, r1= 0, r2= 0, r3= 5.2, r4= 5.7,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  116  THR H  117  ASP QB
 &rst iat= 1796, -1, r1= 0, r2= 0, r3= 5.488, r4= 6.048,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1814,1815,
&end
#
#  116  THR HB  117  ASP H
 &rst iat= 1800,1810, r1= 0, r2= 0, r3= 3.9, r4= 4.4,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  116  THR HB  117  ASP QB
 &rst iat= 1800, -1, r1= 0, r2= 0, r3= 6.272, r4= 6.832,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1814,1815,
&end
#
#  116  THR QG2  117  ASP H
 &rst iat= -1,1810, r1= 0, r2= 0, r3= 5.04, r4= 5.64,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1802,1803,1804,
&end
#
#  116  THR QG2  117  ASP HA
 &rst iat= -1,1812, r1= 0, r2= 0, r3= 6.12, r4= 6.72,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1802,1803,1804,
&end
#
#  116  THR QG2  117  ASP QB
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.9136, r4= 6.5856,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1802,1803,1804,
igr2= 1814,1815,
&end
#
#  116  THR QG2  120  ASP QB
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 7.5264, r4= 8.1984,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1802,1803,1804,
igr2= 1857,1858,
&end
#
#  117  ASP H  117  ASP QB
 &rst iat= 1810, -1, r1= 0, r2= 0, r3= 3.92, r4= 4.48,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1814,1815,
&end
#
#  117  ASP HA  118  ARG HA
 &rst iat= 1812,1824, r1= 0, r2= 0, r3= 4.9, r4= 5.4,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  117  ASP HA  118  ARG QB
 &rst iat= 1812, -1, r1= 0, r2= 0, r3= 5.264, r4= 5.824,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1826,1827,
&end
#
#  117  ASP HA  119  GLY H
 &rst iat= 1812,1846, r1= 0, r2= 0, r3= 5.1, r4= 5.6,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  117  ASP QB  119  GLY H
 &rst iat= -1,1846, r1= 0, r2= 0, r3= 5.712, r4= 6.272,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1814,1815,
&end
#
#  117  ASP H  120  ASP H
 &rst iat= 1810,1853, r1= 0, r2= 0, r3= 5.1, r4= 5.6,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  117  ASP H  120  ASP QB
 &rst iat= 1810, -1, r1= 0, r2= 0, r3= 5.824, r4= 6.384,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1857,1858,
&end
#
#  117  ASP HA  120  ASP QB
 &rst iat= 1812, -1, r1= 0, r2= 0, r3= 5.824, r4= 6.384,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1857,1858,
&end
#
#  117  ASP QB  120  ASP H
 &rst iat= -1,1853, r1= 0, r2= 0, r3= 4.144, r4= 4.704,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1814,1815,
&end
#
#  117  ASP QB  120  ASP HA
 &rst iat= -1,1855, r1= 0, r2= 0, r3= 4.704, r4= 5.264,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1814,1815,
&end
#
#  117  ASP QB  120  ASP QB
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.14304, r4= 5.77024,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1814,1815,
igr2= 1857,1858,
&end
#
#  117  ASP H  121  ALA H
 &rst iat= 1810,1865, r1= 0, r2= 0, r3= 5.4, r4= 5.9,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  117  ASP HA  121  ALA H
 &rst iat= 1812,1865, r1= 0, r2= 0, r3= 6, r4= 6.5,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  117  ASP QB  121  ALA H
 &rst iat= -1,1865, r1= 0, r2= 0, r3= 6.384, r4= 6.944,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1814,1815,
&end
#
#  118  ARG H  119  GLY H
 &rst iat= 1822,1846, r1= 0, r2= 0, r3= 5.8, r4= 6.3,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  118  ARG QB  119  GLY QA
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.02112, r4= 6.64832,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1826,1827,
igr2= 1848,1849,
&end
#
#  118  ARG QD  119  GLY H
 &rst iat= -1,1846, r1= 0, r2= 0, r3= 6.72, r4= 7.28,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1832,1833,
&end
#
#  118  ARG H  120  ASP QB
 &rst iat= 1822, -1, r1= 0, r2= 0, r3= 6.72, r4= 7.28,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1857,1858,
&end
#
#  118  ARG HA  121  ALA H
 &rst iat= 1824,1865, r1= 0, r2= 0, r3= 4.9, r4= 5.4,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  118  ARG HA  121  ALA QB
 &rst iat= 1824, -1, r1= 0, r2= 0, r3= 5.04, r4= 5.64,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1869,1870,1871,
&end
#
#  118  ARG QB  121  ALA H
 &rst iat= -1,1865, r1= 0, r2= 0, r3= 6.72, r4= 7.28,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1826,1827,
&end
#
#  118  ARG QG  121  ALA QB
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.9888, r4= 7.6608,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1829,1830,
igr2= 1869,1870,1871,
&end
#
#  118  ARG QD  121  ALA H
 &rst iat= -1,1865, r1= 0, r2= 0, r3= 6.72, r4= 7.28,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1832,1833,
&end
#
#  118  ARG QD  121  ALA QB
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.5104, r4= 6.1824,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1832,1833,
igr2= 1869,1870,1871,
&end
#
#  118  ARG QD  122  PHE H
 &rst iat= -1,1875, r1= 0, r2= 0, r3= 5.152, r4= 5.712,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1832,1833,
&end
#
#  119  GLY H  120  ASP H
 &rst iat= 1846,1853, r1= 0, r2= 0, r3= 3.9, r4= 4.4,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  119  GLY H  120  ASP HA
 &rst iat= 1846,1855, r1= 0, r2= 0, r3= 5.5, r4= 6,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  119  GLY H  121  ALA H
 &rst iat= 1846,1865, r1= 0, r2= 0, r3= 4.8, r4= 5.3,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  119  GLY H  121  ALA QB
 &rst iat= 1846, -1, r1= 0, r2= 0, r3= 6.72, r4= 7.32,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1869,1870,1871,
&end
#
#  119  GLY H  122  PHE H
 &rst iat= 1846,1875, r1= 0, r2= 0, r3= 5.3, r4= 5.8,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  119  GLY H  122  PHE QB
 &rst iat= 1846, -1, r1= 0, r2= 0, r3= 6.72, r4= 7.28,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1879,1880,
&end
#
#  119  GLY QA  122  PHE H
 &rst iat= -1,1875, r1= 0, r2= 0, r3= 4.816, r4= 5.376,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1848,1849,
&end
#
#  119  GLY QA  122  PHE HA
 &rst iat= -1,1877, r1= 0, r2= 0, r3= 5.712, r4= 6.272,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1848,1849,
&end
#
#  119  GLY QA  122  PHE QB
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.14656, r4= 6.77376,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1848,1849,
igr2= 1879,1880,
&end
#
#  119  GLY QA  123  ASP H
 &rst iat= -1,1895, r1= 0, r2= 0, r3= 6.384, r4= 6.944,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1848,1849,
&end
#
#  120  ASP H  121  ALA H
 &rst iat= 1853,1865, r1= 0, r2= 0, r3= 3.5, r4= 4,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  120  ASP H  121  ALA HA
 &rst iat= 1853,1867, r1= 0, r2= 0, r3= 5.9, r4= 6.4,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  120  ASP H  121  ALA QB
 &rst iat= 1853, -1, r1= 0, r2= 0, r3= 6, r4= 6.6,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1869,1870,1871,
&end
#
#  120  ASP HA  121  ALA QB
 &rst iat= 1855, -1, r1= 0, r2= 0, r3= 6.6, r4= 7.2,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1869,1870,1871,
&end
#
#  120  ASP QB  121  ALA H
 &rst iat= -1,1865, r1= 0, r2= 0, r3= 5.04, r4= 5.6,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1857,1858,
&end
#
#  120  ASP QB  121  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= 1857,1858,
igr2= 1869,1870,1871,
&end
#
#  120  ASP H  122  PHE H
 &rst iat= 1853,1875, r1= 0, r2= 0, r3= 4.9, r4= 5.4,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  120  ASP H  122  PHE QB
 &rst iat= 1853, -1, r1= 0, r2= 0, r3= 6.72, r4= 7.28,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1879,1880,
&end
#
#  120  ASP HA  122  PHE H
 &rst iat= 1855,1875, r1= 0, r2= 0, r3= 5.3, r4= 5.8,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  120  ASP H  123  ASP H
 &rst iat= 1853,1895, r1= 0, r2= 0, r3= 6, r4= 6.5,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  120  ASP HA  123  ASP H
 &rst iat= 1855,1895, r1= 0, r2= 0, r3= 4.8, r4= 5.3,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  120  ASP HA  123  ASP QB
 &rst iat= 1855, -1, r1= 0, r2= 0, r3= 4.928, r4= 5.488,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1899,1900,
&end
#
#  121  ALA H  121  ALA QB
 &rst iat= 1865, -1, r1= 0, r2= 0, r3= 4.44, r4= 5.04,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1869,1870,1871,
&end
#
#  121  ALA H  122  PHE H
 &rst iat= 1865,1875, r1= 0, r2= 0, r3= 3.8, r4= 4.3,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  121  ALA QB  122  PHE H
 &rst iat= -1,1875, r1= 0, r2= 0, r3= 4.68, r4= 5.28,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1869,1870,1871,
&end
#
#  121  ALA QB  122  PHE HA
 &rst iat= -1,1877, r1= 0, r2= 0, r3= 6, r4= 6.6,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1869,1870,1871,
&end
#
#  121  ALA QB  122  PHE QD
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 8.064, r4= 8.736,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1869,1870,1871,
igr2= 1883,1891,
&end
#
#  121  ALA H  123  ASP QB
 &rst iat= 1865, -1, r1= 0, r2= 0, r3= 6.72, r4= 7.28,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1899,1900,
&end
#
#  121  ALA HA  123  ASP H
 &rst iat= 1867,1895, r1= 0, r2= 0, r3= 5.3, r4= 5.8,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  121  ALA HA  123  ASP QB
 &rst iat= 1867, -1, r1= 0, r2= 0, r3= 5.488, r4= 6.048,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1899,1900,
&end
#
#  121  ALA H  124  PHE H
 &rst iat= 1865,1907, r1= 0, r2= 0, r3= 5.5, r4= 6,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  121  ALA HA  124  PHE H
 &rst iat= 1867,1907, r1= 0, r2= 0, r3= 3.8, r4= 4.3,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  121  ALA HA  124  PHE QB
 &rst iat= 1867, -1, r1= 0, r2= 0, r3= 4.928, r4= 5.488,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1911,1912,
&end
#
#  121  ALA HA  124  PHE QD
 &rst iat= 1867, -1, r1= 0, r2= 0, r3= 5.04, r4= 5.6,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1915,1923,
&end
#
#  121  ALA QB  124  PHE H
 &rst iat= -1,1907, r1= 0, r2= 0, r3= 6.84, r4= 7.44,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1869,1870,1871,
&end
#
#  121  ALA QB  124  PHE QB
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 7.6608, r4= 8.3328,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1869,1870,1871,
igr2= 1911,1912,
&end
#
#  121  ALA QB  124  PHE QD
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.048, r4= 6.72,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1869,1870,1871,
igr2= 1915,1923,
&end
#
#  121  ALA HA  125  ASN H
 &rst iat= 1867,1927, r1= 0, r2= 0, r3= 5.6, r4= 6.1,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  121  ALA QB  125  ASN H
 &rst iat= -1,1927, r1= 0, r2= 0, r3= 7.08, r4= 7.68,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1869,1870,1871,
&end
#
#  121  ALA QB  125  ASN QB
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.72, r4= 7.392,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1869,1870,1871,
igr2= 1931,1932,
&end
#
#  122  PHE QR  122  PHE HA
 &rst iat= -1,1877, r1= 0, r2= 0, r3= 5.24, r4= 5.895,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1883,1891,1885,1889,1887,
&end
#
#  122  PHE H  122  PHE QB
 &rst iat= 1875, -1, r1= 0, r2= 0, r3= 4.032, r4= 4.592,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1879,1880,
&end
#
#  122  PHE H  122  PHE QD
 &rst iat= 1875, -1, r1= 0, r2= 0, r3= 5.488, r4= 6.048,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1883,1891,
&end
#
#  122  PHE HA  122  PHE QD
 &rst iat= 1877, -1, r1= 0, r2= 0, r3= 5.488, r4= 6.048,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1883,1891,
&end
#
#  122  PHE HA  122  PHE QE
 &rst iat= 1877, -1, r1= 0, r2= 0, r3= 5.264, r4= 5.824,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1885,1889,
&end
#
#  122  PHE QR  123  ASP HA
 &rst iat= -1,1897, r1= 0, r2= 0, r3= 5.371, r4= 6.026,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1883,1891,1885,1889,1887,
&end
#
#  122  PHE HA  123  ASP HA
 &rst iat= 1877,1897, r1= 0, r2= 0, r3= 4.8, r4= 5.3,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  122  PHE QB  123  ASP H
 &rst iat= -1,1895, r1= 0, r2= 0, r3= 4.592, r4= 5.152,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1879,1880,
&end
#
#  122  PHE QD  123  ASP H
 &rst iat= -1,1895, r1= 0, r2= 0, r3= 5.264, r4= 5.824,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1883,1891,
&end
#
#  122  PHE QD  123  ASP HA
 &rst iat= -1,1897, r1= 0, r2= 0, r3= 5.264, r4= 5.824,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1883,1891,
&end
#
#  122  PHE HA  124  PHE H
 &rst iat= 1877,1907, r1= 0, r2= 0, r3= 6, r4= 6.5,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  122  PHE H  125  ASN H
 &rst iat= 1875,1927, r1= 0, r2= 0, r3= 6, r4= 6.5,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  122  PHE H  125  ASN QB
 &rst iat= 1875, -1, r1= 0, r2= 0, r3= 6.72, r4= 7.28,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1931,1932,
&end
#
#  122  PHE HA  125  ASN H
 &rst iat= 1877,1927, r1= 0, r2= 0, r3= 4.4, r4= 4.9,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  122  PHE HA  125  ASN QB
 &rst iat= 1877, -1, r1= 0, r2= 0, r3= 4.368, r4= 4.928,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1931,1932,
&end
#
#  122  PHE HA  125  ASN QD
 &rst iat= 1877, -1, r1= 0, r2= 0, r3= 6.048, r4= 6.608,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1936,1937,
&end
#
#  122  PHE QE  125  ASN QD
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 7.5264, r4= 8.1536,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1885,1889,
igr2= 1936,1937,
&end
#
#  122  PHE QR  126  VAL QG
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.54345, r4= 7.4277,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1883,1891,1885,1889,1887,
igr2= 1947,1948,1949,1951,1952,1953,
&end
#
#  122  PHE HA  126  VAL H
 &rst iat= 1877,1941, r1= 0, r2= 0, r3= 4.8, r4= 5.3,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  122  PHE QB  126  VAL H
 &rst iat= -1,1941, r1= 0, r2= 0, r3= 6.272, r4= 6.832,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1879,1880,
&end
#
#  122  PHE QD  126  VAL HB
 &rst iat= -1,1945, r1= 0, r2= 0, r3= 5.824, r4= 6.384,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1883,1891,
&end
#
#  122  PHE QE  126  VAL HA
 &rst iat= -1,1943, r1= 0, r2= 0, r3= 6.72, r4= 7.28,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1885,1889,
&end
#
#  122  PHE QE  126  VAL HB
 &rst iat= -1,1945, r1= 0, r2= 0, r3= 6.048, r4= 6.608,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1885,1889,
&end
#
#  122  PHE QE  126  VAL QG
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.5944, r4= 6.3504,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1885,1889,
igr2= 1947,1948,1949,1951,1952,1953,
&end
#
#  123  ASP H  123  ASP QB
 &rst iat= 1895, -1, r1= 0, r2= 0, r3= 4.144, r4= 4.704,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1899,1900,
&end
#
#  123  ASP H  124  PHE H
 &rst iat= 1895,1907, r1= 0, r2= 0, r3= 4, r4= 4.5,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  123  ASP H  124  PHE HA
 &rst iat= 1895,1909, r1= 0, r2= 0, r3= 5.1, r4= 5.6,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  123  ASP HA  124  PHE QB
 &rst iat= 1897, -1, r1= 0, r2= 0, r3= 6.72, r4= 7.28,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1911,1912,
&end
#
#  123  ASP QB  124  PHE H
 &rst iat= -1,1907, r1= 0, r2= 0, r3= 4.592, r4= 5.152,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1899,1900,
&end
#
#  123  ASP QB  124  PHE HA
 &rst iat= -1,1909, r1= 0, r2= 0, r3= 5.488, r4= 6.048,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1899,1900,
&end
#
#  123  ASP QB  124  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= 1899,1900,
igr2= 1911,1912,
&end
#
#  123  ASP H  125  ASN H
 &rst iat= 1895,1927, r1= 0, r2= 0, r3= 5.3, r4= 5.8,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  123  ASP H  125  ASN QB
 &rst iat= 1895, -1, r1= 0, r2= 0, r3= 6.496, r4= 7.056,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1931,1932,
&end
#
#  123  ASP H  126  VAL H
 &rst iat= 1895,1941, r1= 0, r2= 0, r3= 5.6, r4= 6.1,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  123  ASP H  126  VAL QG
 &rst iat= 1895, -1, r1= 0, r2= 0, r3= 7.425, r4= 8.1,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1947,1948,1949,1951,1952,1953,
&end
#
#  123  ASP HA  126  VAL H
 &rst iat= 1897,1941, r1= 0, r2= 0, r3= 4.3, r4= 4.8,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  123  ASP HA  126  VAL HA
 &rst iat= 1897,1943, r1= 0, r2= 0, r3= 5.6, r4= 6.1,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  123  ASP HA  126  VAL HB
 &rst iat= 1897,1945, r1= 0, r2= 0, r3= 3.5, r4= 4,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  123  ASP HA  126  VAL QG
 &rst iat= 1897, -1, r1= 0, r2= 0, r3= 4.995, r4= 5.67,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1947,1948,1949,1951,1952,1953,
&end
#
#  123  ASP QB  126  VAL H
 &rst iat= -1,1941, r1= 0, r2= 0, r3= 6.384, r4= 6.944,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1899,1900,
&end
#
#  123  ASP QB  126  VAL HB
 &rst iat= -1,1945, r1= 0, r2= 0, r3= 5.376, r4= 5.936,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1899,1900,
&end
#
#  123  ASP QB  126  VAL QG
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 7.56, r4= 8.316,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1899,1900,
igr2= 1947,1948,1949,1951,1952,1953,
&end
#
#  123  ASP HA  127  SER H
 &rst iat= 1897,1957, r1= 0, r2= 0, r3= 4.4, r4= 4.9,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  123  ASP QB  127  SER H
 &rst iat= -1,1957, r1= 0, r2= 0, r3= 6.16, r4= 6.72,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1899,1900,
&end
#
#  124  PHE H  124  PHE QB
 &rst iat= 1907, -1, r1= 0, r2= 0, r3= 4.368, r4= 4.928,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1911,1912,
&end
#
#  124  PHE H  124  PHE QD
 &rst iat= 1907, -1, r1= 0, r2= 0, r3= 4.592, r4= 5.152,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1915,1923,
&end
#
#  124  PHE HA  124  PHE QD
 &rst iat= 1909, -1, r1= 0, r2= 0, r3= 4.368, r4= 4.928,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1915,1923,
&end
#
#  124  PHE HA  124  PHE QE
 &rst iat= 1909, -1, r1= 0, r2= 0, r3= 5.6, r4= 6.16,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1917,1921,
&end
#
#  124  PHE H  125  ASN QB
 &rst iat= 1907, -1, r1= 0, r2= 0, r3= 5.264, r4= 5.824,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1931,1932,
&end
#
#  124  PHE HA  125  ASN QB
 &rst iat= 1909, -1, r1= 0, r2= 0, r3= 6.16, r4= 6.72,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1931,1932,
&end
#
#  124  PHE QB  125  ASN H
 &rst iat= -1,1927, r1= 0, r2= 0, r3= 5.04, r4= 5.6,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1911,1912,
&end
#
#  124  PHE QD  125  ASN H
 &rst iat= -1,1927, r1= 0, r2= 0, r3= 4.368, r4= 4.928,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1915,1923,
&end
#
#  124  PHE QD  125  ASN HA
 &rst iat= -1,1929, r1= 0, r2= 0, r3= 4.704, r4= 5.264,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1915,1923,
&end
#
#  124  PHE QD  125  ASN QB
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.51936, r4= 6.14656,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1915,1923,
igr2= 1931,1932,
&end
#
#  124  PHE QE  125  ASN HA
 &rst iat= -1,1929, r1= 0, r2= 0, r3= 5.712, r4= 6.272,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1917,1921,
&end
#
#  124  PHE QE  125  ASN QB
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.52288, r4= 7.15008,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1917,1921,
igr2= 1931,1932,
&end
#
#  124  PHE H  126  VAL H
 &rst iat= 1907,1941, r1= 0, r2= 0, r3= 5.4, r4= 5.9,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  124  PHE H  126  VAL HB
 &rst iat= 1907,1945, r1= 0, r2= 0, r3= 6, r4= 6.5,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  124  PHE H  126  VAL QG
 &rst iat= 1907, -1, r1= 0, r2= 0, r3= 7.56, r4= 8.235,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1947,1948,1949,1951,1952,1953,
&end
#
#  124  PHE QB  126  VAL H
 &rst iat= -1,1941, r1= 0, r2= 0, r3= 5.936, r4= 6.496,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1911,1912,
&end
#
#  124  PHE H  127  SER H
 &rst iat= 1907,1957, r1= 0, r2= 0, r3= 5.7, r4= 6.2,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  124  PHE HA  128  LEU H
 &rst iat= 1909,1968, r1= 0, r2= 0, r3= 5.1, r4= 5.6,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  124  PHE QB  128  LEU QD
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 8.4672, r4= 9.2232,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1911,1912,
igr2= 1977,1978,1979,1981,1982,1983,
&end
#
#  124  PHE QD  128  LEU H
 &rst iat= -1,1968, r1= 0, r2= 0, r3= 6.608, r4= 7.168,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1915,1923,
&end
#
#  124  PHE QD  128  LEU QD
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.3504, r4= 7.1064,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1915,1923,
igr2= 1977,1978,1979,1981,1982,1983,
&end
#
#  124  PHE QE  128  LEU QD
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.048, r4= 6.804,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1917,1921,
igr2= 1977,1978,1979,1981,1982,1983,
&end
#
#  125  ASN H  125  ASN QB
 &rst iat= 1927, -1, r1= 0, r2= 0, r3= 3.696, r4= 4.256,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1931,1932,
&end
#
#  125  ASN H  125  ASN QD
 &rst iat= 1927, -1, r1= 0, r2= 0, r3= 5.6, r4= 6.16,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1936,1937,
&end
#
#  125  ASN HA  125  ASN QD
 &rst iat= 1929, -1, r1= 0, r2= 0, r3= 5.152, r4= 5.712,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1936,1937,
&end
#
#  125  ASN QB  125  ASN QD
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 4.51584, r4= 5.14304,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1931,1932,
igr2= 1936,1937,
&end
#
#  125  ASN H  126  VAL H
 &rst iat= 1927,1941, r1= 0, r2= 0, r3= 4, r4= 4.5,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  125  ASN H  126  VAL HA
 &rst iat= 1927,1943, r1= 0, r2= 0, r3= 5.7, r4= 6.2,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  125  ASN H  126  VAL HB
 &rst iat= 1927,1945, r1= 0, r2= 0, r3= 5.3, r4= 5.8,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  125  ASN H  126  VAL QG
 &rst iat= 1927, -1, r1= 0, r2= 0, r3= 6.075, r4= 6.75,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1947,1948,1949,1951,1952,1953,
&end
#
#  125  ASN HA  126  VAL HA
 &rst iat= 1929,1943, r1= 0, r2= 0, r3= 5, r4= 5.5,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  125  ASN HA  126  VAL QG
 &rst iat= 1929, -1, r1= 0, r2= 0, r3= 6.885, r4= 7.56,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1947,1948,1949,1951,1952,1953,
&end
#
#  125  ASN QB  126  VAL H
 &rst iat= -1,1941, r1= 0, r2= 0, r3= 4.032, r4= 4.592,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1931,1932,
&end
#
#  125  ASN QB  126  VAL HA
 &rst iat= -1,1943, r1= 0, r2= 0, r3= 5.04, r4= 5.6,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1931,1932,
&end
#
#  125  ASN QB  126  VAL HB
 &rst iat= -1,1945, r1= 0, r2= 0, r3= 6.272, r4= 6.832,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1931,1932,
&end
#
#  125  ASN QB  126  VAL QG
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.804, r4= 7.56,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1931,1932,
igr2= 1947,1948,1949,1951,1952,1953,
&end
#
#  125  ASN QD  126  VAL H
 &rst iat= -1,1941, r1= 0, r2= 0, r3= 6.272, r4= 6.832,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1936,1937,
&end
#
#  125  ASN QD  126  VAL HA
 &rst iat= -1,1943, r1= 0, r2= 0, r3= 6.384, r4= 6.944,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1936,1937,
&end
#
#  125  ASN QD  126  VAL HB
 &rst iat= -1,1945, r1= 0, r2= 0, r3= 6.496, r4= 7.056,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1936,1937,
&end
#
#  125  ASN QD  126  VAL QG
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.6528, r4= 7.4088,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1936,1937,
igr2= 1947,1948,1949,1951,1952,1953,
&end
#
#  125  ASN H  127  SER H
 &rst iat= 1927,1957, r1= 0, r2= 0, r3= 5.3, r4= 5.8,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  125  ASN H  127  SER QB
 &rst iat= 1927, -1, r1= 0, r2= 0, r3= 6.72, r4= 7.28,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1961,1962,
&end
#
#  125  ASN HA  127  SER H
 &rst iat= 1929,1957, r1= 0, r2= 0, r3= 5.1, r4= 5.6,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  125  ASN H  128  LEU QD
 &rst iat= 1927, -1, r1= 0, r2= 0, r3= 8.1, r4= 8.775,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1977,1978,1979,1981,1982,1983,
&end
#
#  125  ASN HA  128  LEU H
 &rst iat= 1929,1968, r1= 0, r2= 0, r3= 4.3, r4= 4.8,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  125  ASN HA  128  LEU QB
 &rst iat= 1929, -1, r1= 0, r2= 0, r3= 5.152, r4= 5.712,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1972,1973,
&end
#
#  125  ASN HA  128  LEU HG
 &rst iat= 1929,1975, r1= 0, r2= 0, r3= 5.2, r4= 5.7,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  125  ASN HA  128  LEU QD
 &rst iat= 1929, -1, r1= 0, r2= 0, r3= 5.94, r4= 6.615,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1977,1978,1979,1981,1982,1983,
&end
#
#  125  ASN QB  128  LEU H
 &rst iat= -1,1968, r1= 0, r2= 0, r3= 6.72, r4= 7.28,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1931,1932,
&end
#
#  125  ASN QB  128  LEU QD
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 7.8624, r4= 8.6184,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1931,1932,
igr2= 1977,1978,1979,1981,1982,1983,
&end
#
#  125  ASN QD  128  LEU H
 &rst iat= -1,1968, r1= 0, r2= 0, r3= 6.496, r4= 7.056,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1936,1937,
&end
#
#  125  ASN HA  129  GLN H
 &rst iat= 1929,1987, r1= 0, r2= 0, r3= 4.7, r4= 5.2,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  125  ASN HA  129  GLN QG
 &rst iat= 1929, -1, r1= 0, r2= 0, r3= 6.272, r4= 6.832,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1994,1995,
&end
#
#  125  ASN HA  129  GLN QE
 &rst iat= 1929, -1, r1= 0, r2= 0, r3= 6.72, r4= 7.28,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1999,2000,
&end
#
#  125  ASN QB  129  GLN QE
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.52288, r4= 7.15008,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1931,1932,
igr2= 1999,2000,
&end
#
#  125  ASN QD  129  GLN QG
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.52288, r4= 7.15008,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1936,1937,
igr2= 1994,1995,
&end
#
#  125  ASN QD  129  GLN QE
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.39392, r4= 6.02112,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1936,1937,
igr2= 1999,2000,
&end
#
#  126  VAL H  126  VAL HB
 &rst iat= 1941,1945, r1= 0, r2= 0, r3= 3.5, r4= 4,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  126  VAL H  126  VAL QG
 &rst iat= 1941, -1, r1= 0, r2= 0, r3= 4.32, r4= 4.995,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1947,1948,1949,1951,1952,1953,
&end
#
#  126  VAL HA  126  VAL QG
 &rst iat= 1943, -1, r1= 0, r2= 0, r3= 4.32, r4= 4.995,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1947,1948,1949,1951,1952,1953,
&end
#
#  126  VAL H  127  SER H
 &rst iat= 1941,1957, r1= 0, r2= 0, r3= 3.8, r4= 4.3,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  126  VAL H  127  SER HA
 &rst iat= 1941,1959, r1= 0, r2= 0, r3= 5.9, r4= 6.4,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  126  VAL H  127  SER QB
 &rst iat= 1941, -1, r1= 0, r2= 0, r3= 6.048, r4= 6.608,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1961,1962,
&end
#
#  126  VAL HA  127  SER HA
 &rst iat= 1943,1959, r1= 0, r2= 0, r3= 5.4, r4= 5.9,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  126  VAL HB  127  SER H
 &rst iat= 1945,1957, r1= 0, r2= 0, r3= 3.9, r4= 4.4,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  126  VAL HB  127  SER QB
 &rst iat= 1945, -1, r1= 0, r2= 0, r3= 6.608, r4= 7.168,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1961,1962,
&end
#
#  126  VAL QG  127  SER H
 &rst iat= -1,1957, r1= 0, r2= 0, r3= 5.13, r4= 5.805,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1947,1948,1949,1951,1952,1953,
&end
#
#  126  VAL QG  127  SER HA
 &rst iat= -1,1959, r1= 0, r2= 0, r3= 5.805, r4= 6.48,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1947,1948,1949,1951,1952,1953,
&end
#
#  126  VAL QG  127  SER QB
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 8.0136, r4= 8.7696,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1947,1948,1949,1951,1952,1953,
igr2= 1961,1962,
&end
#
#  126  VAL H  128  LEU H
 &rst iat= 1941,1968, r1= 0, r2= 0, r3= 5.2, r4= 5.7,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  126  VAL HA  128  LEU H
 &rst iat= 1943,1968, r1= 0, r2= 0, r3= 4.5, r4= 5,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  126  VAL HA  128  LEU QB
 &rst iat= 1943, -1, r1= 0, r2= 0, r3= 6.72, r4= 7.28,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1972,1973,
&end
#
#  126  VAL QG  128  LEU H
 &rst iat= -1,1968, r1= 0, r2= 0, r3= 6.885, r4= 7.56,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1947,1948,1949,1951,1952,1953,
&end
#
#  126  VAL H  129  GLN H
 &rst iat= 1941,1987, r1= 0, r2= 0, r3= 5.8, r4= 6.3,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  126  VAL H  129  GLN QB
 &rst iat= 1941, -1, r1= 0, r2= 0, r3= 6.72, r4= 7.28,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1991,1992,
&end
#
#  126  VAL H  129  GLN QG
 &rst iat= 1941, -1, r1= 0, r2= 0, r3= 6.608, r4= 7.168,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1994,1995,
&end
#
#  126  VAL HA  129  GLN H
 &rst iat= 1943,1987, r1= 0, r2= 0, r3= 4.2, r4= 4.7,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  126  VAL HA  129  GLN HA
 &rst iat= 1943,1989, r1= 0, r2= 0, r3= 4.9, r4= 5.4,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  126  VAL HA  129  GLN QB
 &rst iat= 1943, -1, r1= 0, r2= 0, r3= 4.032, r4= 4.592,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1991,1992,
&end
#
#  126  VAL HA  129  GLN QG
 &rst iat= 1943, -1, r1= 0, r2= 0, r3= 5.04, r4= 5.6,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1994,1995,
&end
#
#  126  VAL HA  129  GLN QE
 &rst iat= 1943, -1, r1= 0, r2= 0, r3= 6.048, r4= 6.608,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1999,2000,
&end
#
#  126  VAL HB  129  GLN H
 &rst iat= 1945,1987, r1= 0, r2= 0, r3= 5.7, r4= 6.2,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  126  VAL HB  129  GLN QG
 &rst iat= 1945, -1, r1= 0, r2= 0, r3= 5.936, r4= 6.496,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1994,1995,
&end
#
#  126  VAL QG  129  GLN H
 &rst iat= -1,1987, r1= 0, r2= 0, r3= 6.48, r4= 7.155,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1947,1948,1949,1951,1952,1953,
&end
#
#  126  VAL QG  129  GLN HA
 &rst iat= -1,1989, r1= 0, r2= 0, r3= 7.695, r4= 8.37,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1947,1948,1949,1951,1952,1953,
&end
#
#  126  VAL QG  129  GLN QB
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 7.1064, r4= 7.8624,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1947,1948,1949,1951,1952,1953,
igr2= 1991,1992,
&end
#
#  126  VAL QG  129  GLN QG
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 7.2576, r4= 8.0136,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1947,1948,1949,1951,1952,1953,
igr2= 1994,1995,
&end
#
#  126  VAL QG  129  GLN QE
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 8.4672, r4= 9.2232,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1947,1948,1949,1951,1952,1953,
igr2= 1999,2000,
&end
#
#  126  VAL H  130  ASP H
 &rst iat= 1941,2004, r1= 0, r2= 0, r3= 6, r4= 6.5,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  126  VAL HA  130  ASP H
 &rst iat= 1943,2004, r1= 0, r2= 0, r3= 4.5, r4= 5,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  126  VAL HB  130  ASP H
 &rst iat= 1945,2004, r1= 0, r2= 0, r3= 5.6, r4= 6.1,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  126  VAL QG  130  ASP H
 &rst iat= -1,2004, r1= 0, r2= 0, r3= 6.075, r4= 6.75,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1947,1948,1949,1951,1952,1953,
&end
#
#  126  VAL QG  130  ASP HA
 &rst iat= -1,2006, r1= 0, r2= 0, r3= 6.885, r4= 7.56,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1947,1948,1949,1951,1952,1953,
&end
#
#  126  VAL QG  130  ASP QB
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.9552, r4= 7.7112,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1947,1948,1949,1951,1952,1953,
igr2= 2008,2009,
&end
#
#  126  VAL HA  131  HIS H
 &rst iat= 1943,2016, r1= 0, r2= 0, r3= 5.8, r4= 6.3,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  126  VAL QG  131  HIS H
 &rst iat= -1,2016, r1= 0, r2= 0, r3= 8.1, r4= 8.775,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1947,1948,1949,1951,1952,1953,
&end
#
#  127  SER H  127  SER QB
 &rst iat= 1957, -1, r1= 0, r2= 0, r3= 4.256, r4= 4.816,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1961,1962,
&end
#
#  127  SER H  128  LEU H
 &rst iat= 1957,1968, r1= 0, r2= 0, r3= 4.1, r4= 4.6,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  127  SER H  128  LEU QB
 &rst iat= 1957, -1, r1= 0, r2= 0, r3= 6.048, r4= 6.608,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1972,1973,
&end
#
#  127  SER H  128  LEU QD
 &rst iat= 1957, -1, r1= 0, r2= 0, r3= 8.1, r4= 8.775,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1977,1978,1979,1981,1982,1983,
&end
#
#  127  SER QB  128  LEU H
 &rst iat= -1,1968, r1= 0, r2= 0, r3= 5.04, r4= 5.6,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1961,1962,
&end
#
#  127  SER QB  128  LEU QB
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 7.27552, r4= 7.90272,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1961,1962,
igr2= 1972,1973,
&end
#
#  127  SER QB  128  LEU QD
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 7.8624, r4= 8.6184,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1961,1962,
igr2= 1977,1978,1979,1981,1982,1983,
&end
#
#  127  SER H  129  GLN H
 &rst iat= 1957,1987, r1= 0, r2= 0, r3= 5.1, r4= 5.6,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  127  SER HA  129  GLN H
 &rst iat= 1959,1987, r1= 0, r2= 0, r3= 5.7, r4= 6.2,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  127  SER H  130  ASP H
 &rst iat= 1957,2004, r1= 0, r2= 0, r3= 6, r4= 6.5,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  127  SER HA  130  ASP H
 &rst iat= 1959,2004, r1= 0, r2= 0, r3= 4.7, r4= 5.2,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  127  SER HA  130  ASP QB
 &rst iat= 1959, -1, r1= 0, r2= 0, r3= 4.816, r4= 5.376,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 2008,2009,
&end
#
#  127  SER HA  131  HIS H
 &rst iat= 1959,2016, r1= 0, r2= 0, r3= 5, r4= 5.5,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  128  LEU H  128  LEU QB
 &rst iat= 1968, -1, r1= 0, r2= 0, r3= 4.368, r4= 4.928,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1972,1973,
&end
#
#  128  LEU H  128  LEU HG
 &rst iat= 1968,1975, r1= 0, r2= 0, r3= 4.3, r4= 4.8,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  128  LEU H  128  LEU QD
 &rst iat= 1968, -1, r1= 0, r2= 0, r3= 5.265, r4= 5.94,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1977,1978,1979,1981,1982,1983,
&end
#
#  128  LEU HA  128  LEU QD
 &rst iat= 1970, -1, r1= 0, r2= 0, r3= 4.59, r4= 5.265,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1977,1978,1979,1981,1982,1983,
&end
#
#  128  LEU QB  128  LEU QD
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.1408, r4= 5.8968,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1972,1973,
igr2= 1977,1978,1979,1981,1982,1983,
&end
#
#  128  LEU H  129  GLN H
 &rst iat= 1968,1987, r1= 0, r2= 0, r3= 3.7, r4= 4.2,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  128  LEU H  129  GLN QB
 &rst iat= 1968, -1, r1= 0, r2= 0, r3= 5.376, r4= 5.936,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1991,1992,
&end
#
#  128  LEU H  129  GLN QG
 &rst iat= 1968, -1, r1= 0, r2= 0, r3= 5.936, r4= 6.496,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1994,1995,
&end
#
#  128  LEU HA  129  GLN HA
 &rst iat= 1970,1989, r1= 0, r2= 0, r3= 5.1, r4= 5.6,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  128  LEU QB  129  GLN H
 &rst iat= -1,1987, r1= 0, r2= 0, r3= 4.816, r4= 5.376,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1972,1973,
&end
#
#  128  LEU QB  129  GLN HA
 &rst iat= -1,1989, r1= 0, r2= 0, r3= 6.496, r4= 7.056,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1972,1973,
&end
#
#  128  LEU QB  129  GLN QG
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.52288, r4= 7.15008,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1972,1973,
igr2= 1994,1995,
&end
#
#  128  LEU HG  129  GLN H
 &rst iat= 1975,1987, r1= 0, r2= 0, r3= 5.8, r4= 6.3,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  128  LEU QD  129  GLN H
 &rst iat= -1,1987, r1= 0, r2= 0, r3= 6.48, r4= 7.155,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1977,1978,1979,1981,1982,1983,
&end
#
#  128  LEU QD  129  GLN QB
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 9.072, r4= 9.828,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1977,1978,1979,1981,1982,1983,
igr2= 1991,1992,
&end
#
#  128  LEU QD  129  GLN QG
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 9.072, r4= 9.828,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1977,1978,1979,1981,1982,1983,
igr2= 1994,1995,
&end
#
#  128  LEU H  130  ASP H
 &rst iat= 1968,2004, r1= 0, r2= 0, r3= 4.8, r4= 5.3,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  128  LEU HA  130  ASP H
 &rst iat= 1970,2004, r1= 0, r2= 0, r3= 5.7, r4= 6.2,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  128  LEU QB  130  ASP H
 &rst iat= -1,2004, r1= 0, r2= 0, r3= 6.72, r4= 7.28,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1972,1973,
&end
#
#  128  LEU H  131  HIS H
 &rst iat= 1968,2016, r1= 0, r2= 0, r3= 5, r4= 5.5,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  128  LEU HA  131  HIS H
 &rst iat= 1970,2016, r1= 0, r2= 0, r3= 4.6, r4= 5.1,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  128  LEU HA  131  HIS HA
 &rst iat= 1970,2018, r1= 0, r2= 0, r3= 5.2, r4= 5.7,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  128  LEU HA  131  HIS QB
 &rst iat= 1970, -1, r1= 0, r2= 0, r3= 5.264, r4= 5.824,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 2020,2021,
&end
#
#  128  LEU QB  131  HIS H
 &rst iat= -1,2016, r1= 0, r2= 0, r3= 5.824, r4= 6.384,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1972,1973,
&end
#
#  128  LEU QB  131  HIS QB
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 7.5264, r4= 8.1536,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1972,1973,
igr2= 2020,2021,
&end
#
#  128  LEU QD  131  HIS H
 &rst iat= -1,2016, r1= 0, r2= 0, r3= 7.29, r4= 7.965,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1977,1978,1979,1981,1982,1983,
&end
#
#  128  LEU QD  131  HIS QB
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 7.7112, r4= 8.4672,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1977,1978,1979,1981,1982,1983,
igr2= 2020,2021,
&end
#
#  128  LEU HA  132  PHE H
 &rst iat= 1970,2033, r1= 0, r2= 0, r3= 4.9, r4= 5.4,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  128  LEU HA  132  PHE QD
 &rst iat= 1970, -1, r1= 0, r2= 0, r3= 5.264, r4= 5.824,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 2041,2049,
&end
#
#  128  LEU HA  132  PHE QE
 &rst iat= 1970, -1, r1= 0, r2= 0, r3= 5.824, r4= 6.384,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 2043,2047,
&end
#
#  128  LEU QB  132  PHE H
 &rst iat= -1,2033, r1= 0, r2= 0, r3= 6.608, r4= 7.168,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1972,1973,
&end
#
#  128  LEU QB  132  PHE QD
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.39392, r4= 6.02112,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1972,1973,
igr2= 2041,2049,
&end
#
#  128  LEU QB  132  PHE QE
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.39392, r4= 6.02112,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1972,1973,
igr2= 2043,2047,
&end
#
#  128  LEU HG  132  PHE QE
 &rst iat= 1975, -1, r1= 0, r2= 0, r3= 6.16, r4= 6.72,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 2043,2047,
&end
#
#  128  LEU QD  132  PHE H
 &rst iat= -1,2033, r1= 0, r2= 0, r3= 8.1, r4= 8.775,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1977,1978,1979,1981,1982,1983,
&end
#
#  128  LEU QD  132  PHE QD
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.048, r4= 6.804,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1977,1978,1979,1981,1982,1983,
igr2= 2041,2049,
&end
#
#  128  LEU QD  132  PHE QE
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.048, r4= 6.804,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1977,1978,1979,1981,1982,1983,
igr2= 2043,2047,
&end
#
#  128  LEU QD  132  PHE HZ
 &rst iat= -1,2045, r1= 0, r2= 0, r3= 7.83, r4= 8.505,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1977,1978,1979,1981,1982,1983,
&end
#
#  129  GLN H  129  GLN QB
 &rst iat= 1987, -1, r1= 0, r2= 0, r3= 4.256, r4= 4.816,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1991,1992,
&end
#
#  129  GLN H  129  GLN QG
 &rst iat= 1987, -1, r1= 0, r2= 0, r3= 4.256, r4= 4.816,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1994,1995,
&end
#
#  129  GLN H  129  GLN QE
 &rst iat= 1987, -1, r1= 0, r2= 0, r3= 6.72, r4= 7.28,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1999,2000,
&end
#
#  129  GLN HA  129  GLN QG
 &rst iat= 1989, -1, r1= 0, r2= 0, r3= 4.032, r4= 4.592,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1994,1995,
&end
#
#  129  GLN HA  129  GLN QE
 &rst iat= 1989, -1, r1= 0, r2= 0, r3= 6.72, r4= 7.28,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1999,2000,
&end
#
#  129  GLN QB  129  GLN QE
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 7.27552, r4= 7.90272,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1991,1992,
igr2= 1999,2000,
&end
#
#  129  GLN H  130  ASP H
 &rst iat= 1987,2004, r1= 0, r2= 0, r3= 3.9, r4= 4.4,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  129  GLN H  130  ASP HA
 &rst iat= 1987,2006, r1= 0, r2= 0, r3= 5.8, r4= 6.3,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  129  GLN H  130  ASP QB
 &rst iat= 1987, -1, r1= 0, r2= 0, r3= 6.048, r4= 6.608,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 2008,2009,
&end
#
#  129  GLN HA  130  ASP QB
 &rst iat= 1989, -1, r1= 0, r2= 0, r3= 6.272, r4= 6.832,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 2008,2009,
&end
#
#  129  GLN QB  130  ASP H
 &rst iat= -1,2004, r1= 0, r2= 0, r3= 4.48, r4= 5.04,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1991,1992,
&end
#
#  129  GLN QB  130  ASP HA
 &rst iat= -1,2006, r1= 0, r2= 0, r3= 5.264, r4= 5.824,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1991,1992,
&end
#
#  129  GLN QB  130  ASP QB
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.39744, r4= 7.02464,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1991,1992,
igr2= 2008,2009,
&end
#
#  129  GLN QG  130  ASP H
 &rst iat= -1,2004, r1= 0, r2= 0, r3= 5.264, r4= 5.824,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1994,1995,
&end
#
#  129  GLN H  131  HIS H
 &rst iat= 1987,2016, r1= 0, r2= 0, r3= 5.2, r4= 5.7,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  129  GLN HA  131  HIS H
 &rst iat= 1989,2016, r1= 0, r2= 0, r3= 4.8, r4= 5.3,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  129  GLN H  132  PHE H
 &rst iat= 1987,2033, r1= 0, r2= 0, r3= 6, r4= 6.5,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  129  GLN H  132  PHE QD
 &rst iat= 1987, -1, r1= 0, r2= 0, r3= 6.72, r4= 7.28,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 2041,2049,
&end
#
#  129  GLN HA  132  PHE H
 &rst iat= 1989,2033, r1= 0, r2= 0, r3= 4.2, r4= 4.7,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  129  GLN HA  132  PHE QB
 &rst iat= 1989, -1, r1= 0, r2= 0, r3= 5.936, r4= 6.496,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 2037,2038,
&end
#
#  129  GLN HA  132  PHE QD
 &rst iat= 1989, -1, r1= 0, r2= 0, r3= 5.824, r4= 6.384,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 2041,2049,
&end
#
#  129  GLN HA  133  LYS H
 &rst iat= 1989,2053, r1= 0, r2= 0, r3= 4.8, r4= 5.3,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  130  ASP H  130  ASP QB
 &rst iat= 2004, -1, r1= 0, r2= 0, r3= 3.808, r4= 4.368,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 2008,2009,
&end
#
#  130  ASP H  131  HIS H
 &rst iat= 2004,2016, r1= 0, r2= 0, r3= 3.9, r4= 4.4,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  130  ASP H  131  HIS HA
 &rst iat= 2004,2018, r1= 0, r2= 0, r3= 5.3, r4= 5.8,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  130  ASP H  131  HIS QB
 &rst iat= 2004, -1, r1= 0, r2= 0, r3= 5.6, r4= 6.16,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 2020,2021,
&end
#
#  130  ASP HA  131  HIS HA
 &rst iat= 2006,2018, r1= 0, r2= 0, r3= 4.9, r4= 5.4,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  130  ASP QB  131  HIS H
 &rst iat= -1,2016, r1= 0, r2= 0, r3= 4.592, r4= 5.152,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 2008,2009,
&end
#
#  130  ASP QB  131  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= 2008,2009,
igr2= 2020,2021,
&end
#
#  130  ASP H  132  PHE H
 &rst iat= 2004,2033, r1= 0, r2= 0, r3= 5.1, r4= 5.6,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  130  ASP HA  132  PHE H
 &rst iat= 2006,2033, r1= 0, r2= 0, r3= 5, r4= 5.5,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  130  ASP QB  132  PHE H
 &rst iat= -1,2033, r1= 0, r2= 0, r3= 6.384, r4= 6.944,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 2008,2009,
&end
#
#  130  ASP H  133  LYS H
 &rst iat= 2004,2053, r1= 0, r2= 0, r3= 6, r4= 6.5,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  130  ASP H  133  LYS QG
 &rst iat= 2004, -1, r1= 0, r2= 0, r3= 6.72, r4= 7.28,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 2060,2061,
&end
#
#  130  ASP HA  133  LYS H
 &rst iat= 2006,2053, r1= 0, r2= 0, r3= 4.1, r4= 4.6,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  130  ASP HA  133  LYS HA
 &rst iat= 2006,2055, r1= 0, r2= 0, r3= 4.9, r4= 5.4,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  130  ASP HA  133  LYS QB
 &rst iat= 2006, -1, r1= 0, r2= 0, r3= 4.256, r4= 4.816,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 2057,2058,
&end
#
#  130  ASP HA  133  LYS QG
 &rst iat= 2006, -1, r1= 0, r2= 0, r3= 4.816, r4= 5.376,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 2060,2061,
&end
#
#  130  ASP HA  133  LYS QD
 &rst iat= 2006, -1, r1= 0, r2= 0, r3= 4.368, r4= 4.928,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 2063,2064,
&end
#
#  130  ASP HA  133  LYS QE
 &rst iat= 2006, -1, r1= 0, r2= 0, r3= 5.488, r4= 6.048,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 2066,2067,
&end
#
#  130  ASP QB  133  LYS H
 &rst iat= -1,2053, r1= 0, r2= 0, r3= 6.272, r4= 6.832,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 2008,2009,
&end
#
#  130  ASP QB  133  LYS QB
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.77376, r4= 7.40096,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 2008,2009,
igr2= 2057,2058,
&end
#
#  130  ASP QB  133  LYS QG
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 7.5264, r4= 8.1536,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 2008,2009,
igr2= 2060,2061,
&end
#
#  130  ASP QB  133  LYS QD
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 7.5264, r4= 8.1536,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 2008,2009,
igr2= 2063,2064,
&end
#
#  130  ASP HA  134  TRP H
 &rst iat= 2006,2075, r1= 0, r2= 0, r3= 5.1, r4= 5.6,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  130  ASP HA  134  TRP HD1
 &rst iat= 2006,2083, r1= 0, r2= 0, r3= 4.7, r4= 5.2,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  130  ASP HA  134  TRP HE1
 &rst iat= 2006,2085, r1= 0, r2= 0, r3= 6, r4= 6.5,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  130  ASP QB  134  TRP HD1
 &rst iat= -1,2083, r1= 0, r2= 0, r3= 5.712, r4= 6.272,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 2008,2009,
&end
#
#  131  HIS H  131  HIS QB
 &rst iat= 2016, -1, r1= 0, r2= 0, r3= 4.144, r4= 4.704,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 2020,2021,
&end
#
#  131  HIS H  132  PHE H
 &rst iat= 2016,2033, r1= 0, r2= 0, r3= 3.8, r4= 4.3,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  131  HIS H  132  PHE HA
 &rst iat= 2016,2035, r1= 0, r2= 0, r3= 5.1, r4= 5.6,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  131  HIS H  132  PHE QB
 &rst iat= 2016, -1, r1= 0, r2= 0, r3= 6.16, r4= 6.72,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 2037,2038,
&end
#
#  131  HIS HA  132  PHE QD
 &rst iat= 2018, -1, r1= 0, r2= 0, r3= 6.72, r4= 7.28,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 2041,2049,
&end
#
#  131  HIS QB  132  PHE H
 &rst iat= -1,2033, r1= 0, r2= 0, r3= 5.04, r4= 5.6,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 2020,2021,
&end
#
#  131  HIS QB  132  PHE QD
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 7.5264, r4= 8.1536,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 2020,2021,
igr2= 2041,2049,
&end
#
#  131  HIS QB  132  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= 2020,2021,
igr2= 2043,2047,
&end
#
#  131  HIS HE1  132  PHE QE
 &rst iat= 2025, -1, r1= 0, r2= 0, r3= 5.936, r4= 6.496,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 2043,2047,
&end
#
#  131  HIS H  133  LYS H
 &rst iat= 2016,2053, r1= 0, r2= 0, r3= 5, r4= 5.5,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  131  HIS H  133  LYS QG
 &rst iat= 2016, -1, r1= 0, r2= 0, r3= 6.72, r4= 7.28,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 2060,2061,
&end
#
#  131  HIS HA  133  LYS H
 &rst iat= 2018,2053, r1= 0, r2= 0, r3= 4.7, r4= 5.2,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  131  HIS H  134  TRP H
 &rst iat= 2016,2075, r1= 0, r2= 0, r3= 5.6, r4= 6.1,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  131  HIS HA  134  TRP H
 &rst iat= 2018,2075, r1= 0, r2= 0, r3= 5.2, r4= 5.7,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  131  HIS HA  134  TRP HD1
 &rst iat= 2018,2083, r1= 0, r2= 0, r3= 4.5, r4= 5,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  131  HIS HA  134  TRP HE1
 &rst iat= 2018,2085, r1= 0, r2= 0, r3= 4.9, r4= 5.4,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  131  HIS HA  134  TRP HZ2
 &rst iat= 2018,2088, r1= 0, r2= 0, r3= 5, r4= 5.5,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  131  HIS HA  135  VAL QG
 &rst iat= 2018, -1, r1= 0, r2= 0, r3= 7.965, r4= 8.64,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 2105,2106,2107,2109,2110,2111,
&end
#
#  131  HIS HE1  135  VAL QG
 &rst iat= 2025, -1, r1= 0, r2= 0, r3= 7.02, r4= 7.695,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 2105,2106,2107,2109,2110,2111,
&end
#
#  132  PHE H  132  PHE QB
 &rst iat= 2033, -1, r1= 0, r2= 0, r3= 4.256, r4= 4.816,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 2037,2038,
&end
#
#  132  PHE HA  132  PHE QD
 &rst iat= 2035, -1, r1= 0, r2= 0, r3= 3.92, r4= 4.48,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 2041,2049,
&end
#
#  132  PHE HA  132  PHE QE
 &rst iat= 2035, -1, r1= 0, r2= 0, r3= 5.376, r4= 5.936,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 2043,2047,
&end
#
#  132  PHE QD  132  PHE HZ
 &rst iat= -1,2045, r1= 0, r2= 0, r3= 4.816, r4= 5.376,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 2041,2049,
&end
#
#  132  PHE H  133  LYS H
 &rst iat= 2033,2053, r1= 0, r2= 0, r3= 3.5, r4= 4,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  132  PHE H  133  LYS HA
 &rst iat= 2033,2055, r1= 0, r2= 0, r3= 5.2, r4= 5.7,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  132  PHE H  133  LYS QB
 &rst iat= 2033, -1, r1= 0, r2= 0, r3= 5.264, r4= 5.824,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 2057,2058,
&end
#
#  132  PHE H  133  LYS QG
 &rst iat= 2033, -1, r1= 0, r2= 0, r3= 6.16, r4= 6.72,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 2060,2061,
&end
#
#  132  PHE QB  133  LYS H
 &rst iat= -1,2053, r1= 0, r2= 0, r3= 5.04, r4= 5.6,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 2037,2038,
&end
#
#  132  PHE QB  133  LYS HA
 &rst iat= -1,2055, r1= 0, r2= 0, r3= 6.384, r4= 6.944,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 2037,2038,
&end
#
#  132  PHE H  134  TRP HD1
 &rst iat= 2033,2083, r1= 0, r2= 0, r3= 5.7, r4= 6.2,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  132  PHE H  134  TRP HE1
 &rst iat= 2033,2085, r1= 0, r2= 0, r3= 6, r4= 6.5,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  132  PHE HA  134  TRP H
 &rst iat= 2035,2075, r1= 0, r2= 0, r3= 4.1, r4= 4.6,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  132  PHE HA  134  TRP HD1
 &rst iat= 2035,2083, r1= 0, r2= 0, r3= 5.6, r4= 6.1,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  132  PHE HA  134  TRP HE1
 &rst iat= 2035,2085, r1= 0, r2= 0, r3= 5.3, r4= 5.8,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  132  PHE H  135  VAL QG
 &rst iat= 2033, -1, r1= 0, r2= 0, r3= 8.1, r4= 8.775,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 2105,2106,2107,2109,2110,2111,
&end
#
#  132  PHE HA  135  VAL H
 &rst iat= 2035,2099, r1= 0, r2= 0, r3= 4, r4= 4.5,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  132  PHE HA  135  VAL HA
 &rst iat= 2035,2101, r1= 0, r2= 0, r3= 5.6, r4= 6.1,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  132  PHE HA  135  VAL HB
 &rst iat= 2035,2103, r1= 0, r2= 0, r3= 4, r4= 4.5,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  132  PHE HA  135  VAL QG
 &rst iat= 2035, -1, r1= 0, r2= 0, r3= 4.995, r4= 5.67,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 2105,2106,2107,2109,2110,2111,
&end
#
#  132  PHE QB  135  VAL QG
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.8968, r4= 6.6528,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 2037,2038,
igr2= 2105,2106,2107,2109,2110,2111,
&end
#
#  132  PHE QD  135  VAL HB
 &rst iat= -1,2103, r1= 0, r2= 0, r3= 4.704, r4= 5.264,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 2041,2049,
&end
#
#  132  PHE QD  135  VAL QG
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.4432, r4= 6.1992,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 2041,2049,
igr2= 2105,2106,2107,2109,2110,2111,
&end
#
#  132  PHE QE  135  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= 2043,2047,
igr2= 2105,2106,2107,2109,2110,2111,
&end
#
#  132  PHE HA  136  LYS QB
 &rst iat= 2035, -1, r1= 0, r2= 0, r3= 5.04, r4= 5.6,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 2119,2120,
&end
#
#  132  PHE HA  136  LYS QD
 &rst iat= 2035, -1, r1= 0, r2= 0, r3= 6.16, r4= 6.72,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 2125,2126,
&end
#
#  132  PHE QB  136  LYS QB
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.52288, r4= 7.15008,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 2037,2038,
igr2= 2119,2120,
&end
#
#  132  PHE QB  136  LYS QG
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.39744, r4= 7.02464,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 2037,2038,
igr2= 2122,2123,
&end
#
#  132  PHE QB  136  LYS QD
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.89568, r4= 6.52288,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 2037,2038,
igr2= 2125,2126,
&end
#
#  132  PHE QD  136  LYS QE
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.14656, r4= 6.77376,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 2041,2049,
igr2= 2128,2129,
&end
#
#  133  LYS H  133  LYS QB
 &rst iat= 2053, -1, r1= 0, r2= 0, r3= 3.808, r4= 4.368,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 2057,2058,
&end
#
#  133  LYS H  133  LYS QG
 &rst iat= 2053, -1, r1= 0, r2= 0, r3= 4.48, r4= 5.04,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 2060,2061,
&end
#
#  133  LYS H  133  LYS QD
 &rst iat= 2053, -1, r1= 0, r2= 0, r3= 5.264, r4= 5.824,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 2063,2064,
&end
#
#  133  LYS H  133  LYS QE
 &rst iat= 2053, -1, r1= 0, r2= 0, r3= 6.72, r4= 7.28,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 2066,2067,
&end
#
#  133  LYS HA  133  LYS QG
 &rst iat= 2055, -1, r1= 0, r2= 0, r3= 4.144, r4= 4.704,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 2060,2061,
&end
#
#  133  LYS HA  133  LYS QD
 &rst iat= 2055, -1, r1= 0, r2= 0, r3= 4.368, r4= 4.928,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 2063,2064,
&end
#
#  133  LYS HA  133  LYS QE
 &rst iat= 2055, -1, r1= 0, r2= 0, r3= 5.824, r4= 6.384,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 2066,2067,
&end
#
#  133  LYS QB  133  LYS QD
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 4.26496, r4= 4.89216,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 2057,2058,
igr2= 2063,2064,
&end
#
#  133  LYS QB  133  LYS QE
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.51936, r4= 6.14656,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 2057,2058,
igr2= 2066,2067,
&end
#
#  133  LYS QG  133  LYS QE
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 4.26496, r4= 4.89216,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 2060,2061,
igr2= 2066,2067,
&end
#
#  133  LYS QD  133  LYS QE
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 3.63776, r4= 4.26496,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 2063,2064,
igr2= 2066,2067,
&end
#
#  133  LYS H  134  TRP QB
 &rst iat= 2053, -1, r1= 0, r2= 0, r3= 6.496, r4= 7.056,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 2079,2080,
&end
#
#  133  LYS H  134  TRP HD1
 &rst iat= 2053,2083, r1= 0, r2= 0, r3= 6, r4= 6.5,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  133  LYS HA  134  TRP HA
 &rst iat= 2055,2077, r1= 0, r2= 0, r3= 5.1, r4= 5.6,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  133  LYS HA  134  TRP HD1
 &rst iat= 2055,2083, r1= 0, r2= 0, r3= 5.5, r4= 6,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  133  LYS QB  134  TRP H
 &rst iat= -1,2075, r1= 0, r2= 0, r3= 4.48, r4= 5.04,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 2057,2058,
&end
#
#  133  LYS QB  134  TRP HA
 &rst iat= -1,2077, r1= 0, r2= 0, r3= 6.272, r4= 6.832,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 2057,2058,
&end
#
#  133  LYS QB  134  TRP HD1
 &rst iat= -1,2083, r1= 0, r2= 0, r3= 5.04, r4= 5.6,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 2057,2058,
&end
#
#  133  LYS QB  134  TRP HE1
 &rst iat= -1,2085, r1= 0, r2= 0, r3= 6.72, r4= 7.28,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 2057,2058,
&end
#
#  133  LYS QG  134  TRP H
 &rst iat= -1,2075, r1= 0, r2= 0, r3= 4.48, r4= 5.04,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 2060,2061,
&end
#
#  133  LYS QG  134  TRP HD1
 &rst iat= -1,2083, r1= 0, r2= 0, r3= 5.376, r4= 5.936,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 2060,2061,
&end
#
#  133  LYS QG  134  TRP HE1
 &rst iat= -1,2085, r1= 0, r2= 0, r3= 6.72, r4= 7.28,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 2060,2061,
&end
#
#  133  LYS QD  134  TRP H
 &rst iat= -1,2075, r1= 0, r2= 0, r3= 4.816, r4= 5.376,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 2063,2064,
&end
#
#  133  LYS QD  134  TRP HA
 &rst iat= -1,2077, r1= 0, r2= 0, r3= 5.6, r4= 6.16,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 2063,2064,
&end
#
#  133  LYS QD  134  TRP HD1
 &rst iat= -1,2083, r1= 0, r2= 0, r3= 5.264, r4= 5.824,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 2063,2064,
&end
#
#  133  LYS QD  134  TRP HE1
 &rst iat= -1,2085, r1= 0, r2= 0, r3= 6.384, r4= 6.944,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 2063,2064,
&end
#
#  133  LYS QE  134  TRP H
 &rst iat= -1,2075, r1= 0, r2= 0, r3= 5.376, r4= 5.936,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 2066,2067,
&end
#
#  133  LYS QE  134  TRP HA
 &rst iat= -1,2077, r1= 0, r2= 0, r3= 6.384, r4= 6.944,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 2066,2067,
&end
#
#  133  LYS QE  134  TRP HD1
 &rst iat= -1,2083, r1= 0, r2= 0, r3= 4.816, r4= 5.376,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 2066,2067,
&end
#
#  133  LYS QE  134  TRP HE1
 &rst iat= -1,2085, r1= 0, r2= 0, r3= 6.048, r4= 6.608,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 2066,2067,
&end
#
#  133  LYS H  135  VAL QG
 &rst iat= 2053, -1, r1= 0, r2= 0, r3= 7.29, r4= 7.965,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 2105,2106,2107,2109,2110,2111,
&end
#
#  133  LYS HA  135  VAL H
 &rst iat= 2055,2099, r1= 0, r2= 0, r3= 4.7, r4= 5.2,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  133  LYS HA  135  VAL QG
 &rst iat= 2055, -1, r1= 0, r2= 0, r3= 7.155, r4= 7.83,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 2105,2106,2107,2109,2110,2111,
&end
#
#  133  LYS QB  135  VAL H
 &rst iat= -1,2099, r1= 0, r2= 0, r3= 6.16, r4= 6.72,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 2057,2058,
&end
#
#  133  LYS QG  135  VAL H
 &rst iat= -1,2099, r1= 0, r2= 0, r3= 6.496, r4= 7.056,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 2060,2061,
&end
#
#  133  LYS QG  135  VAL QG
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 9.072, r4= 9.828,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 2060,2061,
igr2= 2105,2106,2107,2109,2110,2111,
&end
#
#  133  LYS QD  135  VAL H
 &rst iat= -1,2099, r1= 0, r2= 0, r3= 5.6, r4= 6.16,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 2063,2064,
&end
#
#  133  LYS QD  135  VAL QG
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 8.7696, r4= 9.5256,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 2063,2064,
igr2= 2105,2106,2107,2109,2110,2111,
&end
#
#  134  TRP H  134  TRP QB
 &rst iat= 2075, -1, r1= 0, r2= 0, r3= 3.808, r4= 4.368,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 2079,2080,
&end
#
#  134  TRP H  134  TRP HD1
 &rst iat= 2075,2083, r1= 0, r2= 0, r3= 3.8, r4= 4.3,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  134  TRP H  134  TRP HE1
 &rst iat= 2075,2085, r1= 0, r2= 0, r3= 5.7, r4= 6.2,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  134  TRP H  134  TRP HE3
 &rst iat= 2075,2094, r1= 0, r2= 0, r3= 4.6, r4= 5.1,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  134  TRP HA  134  TRP HE3
 &rst iat= 2077,2094, r1= 0, r2= 0, r3= 4.3, r4= 4.8,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  134  TRP QB  134  TRP HD1
 &rst iat= -1,2083, r1= 0, r2= 0, r3= 3.808, r4= 4.368,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 2079,2080,
&end
#
#  134  TRP QB  134  TRP HE1
 &rst iat= -1,2085, r1= 0, r2= 0, r3= 5.6, r4= 6.16,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 2079,2080,
&end
#
#  134  TRP QB  134  TRP HE3
 &rst iat= -1,2094, r1= 0, r2= 0, r3= 4.256, r4= 4.816,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 2079,2080,
&end
#
#  134  TRP QB  134  TRP HZ3
 &rst iat= -1,2092, r1= 0, r2= 0, r3= 5.6, r4= 6.16,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 2079,2080,
&end
#
#  134  TRP H  135  VAL H
 &rst iat= 2075,2099, r1= 0, r2= 0, r3= 3.4, r4= 3.9,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  134  TRP H  135  VAL HA
 &rst iat= 2075,2101, r1= 0, r2= 0, r3= 5.2, r4= 5.7,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  134  TRP H  135  VAL QG
 &rst iat= 2075, -1, r1= 0, r2= 0, r3= 5.535, r4= 6.21,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 2105,2106,2107,2109,2110,2111,
&end
#
#  134  TRP HA  135  VAL HA
 &rst iat= 2077,2101, r1= 0, r2= 0, r3= 4.7, r4= 5.2,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  134  TRP HA  135  VAL QG
 &rst iat= 2077, -1, r1= 0, r2= 0, r3= 7.155, r4= 7.83,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 2105,2106,2107,2109,2110,2111,
&end
#
#  134  TRP QB  135  VAL H
 &rst iat= -1,2099, r1= 0, r2= 0, r3= 5.488, r4= 6.048,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 2079,2080,
&end
#
#  134  TRP QB  135  VAL QG
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 7.2576, r4= 8.0136,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 2079,2080,
igr2= 2105,2106,2107,2109,2110,2111,
&end
#
#  134  TRP HD1  135  VAL H
 &rst iat= 2083,2099, r1= 0, r2= 0, r3= 5.3, r4= 5.8,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  134  TRP HD1  135  VAL QG
 &rst iat= 2083, -1, r1= 0, r2= 0, r3= 6.075, r4= 6.75,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 2105,2106,2107,2109,2110,2111,
&end
#
#  134  TRP HE1  135  VAL H
 &rst iat= 2085,2099, r1= 0, r2= 0, r3= 6, r4= 6.5,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  134  TRP HE3  135  VAL HA
 &rst iat= 2094,2101, r1= 0, r2= 0, r3= 4.2, r4= 4.7,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  134  TRP HE3  135  VAL HB
 &rst iat= 2094,2103, r1= 0, r2= 0, r3= 5.8, r4= 6.3,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  134  TRP HE1  135  VAL QG
 &rst iat= 2085, -1, r1= 0, r2= 0, r3= 8.1, r4= 8.775,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 2105,2106,2107,2109,2110,2111,
&end
#
#  134  TRP HE3  135  VAL QG
 &rst iat= 2094, -1, r1= 0, r2= 0, r3= 4.86, r4= 5.535,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 2105,2106,2107,2109,2110,2111,
&end
#
#  134  TRP HZ3  135  VAL HA
 &rst iat= 2092,2101, r1= 0, r2= 0, r3= 5.2, r4= 5.7,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  134  TRP HZ2  135  VAL QG
 &rst iat= 2088, -1, r1= 0, r2= 0, r3= 6.885, r4= 7.56,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 2105,2106,2107,2109,2110,2111,
&end
#
#  134  TRP HZ3  135  VAL QG
 &rst iat= 2092, -1, r1= 0, r2= 0, r3= 5.535, r4= 6.21,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 2105,2106,2107,2109,2110,2111,
&end
#
#  134  TRP HH2  135  VAL QG
 &rst iat= 2090, -1, r1= 0, r2= 0, r3= 6.345, r4= 7.02,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 2105,2106,2107,2109,2110,2111,
&end
#
#  135  VAL H  135  VAL HB
 &rst iat= 2099,2103, r1= 0, r2= 0, r3= 3.7, r4= 4.2,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  135  VAL H  135  VAL QG
 &rst iat= 2099, -1, r1= 0, r2= 0, r3= 3.915, r4= 4.59,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 2105,2106,2107,2109,2110,2111,
&end
#
#  135  VAL HA  135  VAL QG
 &rst iat= 2101, -1, r1= 0, r2= 0, r3= 4.32, r4= 4.995,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 2105,2106,2107,2109,2110,2111,
&end
#
#  135  VAL H  136  LYS H
 &rst iat= 2099,2115, r1= 0, r2= 0, r3= 4.6, r4= 5.1,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  135  VAL H  136  LYS QB
 &rst iat= 2099, -1, r1= 0, r2= 0, r3= 6.272, r4= 6.832,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 2119,2120,
&end
#
#  135  VAL HA  136  LYS H
 &rst iat= 2101,2115, r1= 0, r2= 0, r3= 2.8, r4= 3.3,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  135  VAL HA  136  LYS QB
 &rst iat= 2101, -1, r1= 0, r2= 0, r3= 6.272, r4= 6.832,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 2119,2120,
&end
#
#  135  VAL HB  136  LYS H
 &rst iat= 2103,2115, r1= 0, r2= 0, r3= 3.8, r4= 4.3,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  135  VAL HB  136  LYS HA
 &rst iat= 2103,2117, r1= 0, r2= 0, r3= 5.2, r4= 5.7,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  135  VAL HB  136  LYS QD
 &rst iat= 2103, -1, r1= 0, r2= 0, r3= 5.152, r4= 5.712,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 2125,2126,
&end
#
#  135  VAL QG  136  LYS H
 &rst iat= -1,2115, r1= 0, r2= 0, r3= 4.995, r4= 5.67,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 2105,2106,2107,2109,2110,2111,
&end
#
#  135  VAL QG  136  LYS HA
 &rst iat= -1,2117, r1= 0, r2= 0, r3= 6.615, r4= 7.29,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 2105,2106,2107,2109,2110,2111,
&end
#
#  135  VAL QG  136  LYS QB
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 7.7112, r4= 8.4672,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 2105,2106,2107,2109,2110,2111,
igr2= 2119,2120,
&end
#
#  135  VAL QG  136  LYS QD
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 8.4672, r4= 9.2232,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 2105,2106,2107,2109,2110,2111,
igr2= 2125,2126,
&end
#
#  135  VAL H  137  GLN H
 &rst iat= 2099,2137, r1= 0, r2= 0, r3= 6, r4= 6.5,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  135  VAL HA  137  GLN H
 &rst iat= 2101,2137, r1= 0, r2= 0, r3= 5.1, r4= 5.6,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  135  VAL HB  137  GLN H
 &rst iat= 2103,2137, r1= 0, r2= 0, r3= 6, r4= 6.5,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  135  VAL HB  137  GLN QE
 &rst iat= 2103, -1, r1= 0, r2= 0, r3= 6.384, r4= 6.944,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 2149,2150,
&end
#
#  135  VAL QG  137  GLN H
 &rst iat= -1,2137, r1= 0, r2= 0, r3= 7.695, r4= 8.37,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 2105,2106,2107,2109,2110,2111,
&end
#
#  135  VAL QG  137  GLN QG
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 8.316, r4= 9.072,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 2105,2106,2107,2109,2110,2111,
igr2= 2144,2145,
&end
#
#  135  VAL H  138  GLU H
 &rst iat= 2099,2154, r1= 0, r2= 0, r3= 5.4, r4= 5.9,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  135  VAL QG  138  GLU H
 &rst iat= -1,2154, r1= 0, r2= 0, r3= 8.1, r4= 8.775,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 2105,2106,2107,2109,2110,2111,
&end
#
#  136  LYS H  136  LYS QB
 &rst iat= 2115, -1, r1= 0, r2= 0, r3= 3.584, r4= 4.144,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 2119,2120,
&end
#
#  136  LYS H  136  LYS QG
 &rst iat= 2115, -1, r1= 0, r2= 0, r3= 4.592, r4= 5.152,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 2122,2123,
&end
#
#  136  LYS H  136  LYS QE
 &rst iat= 2115, -1, r1= 0, r2= 0, r3= 6.72, r4= 7.28,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 2128,2129,
&end
#
#  136  LYS HA  136  LYS QG
 &rst iat= 2117, -1, r1= 0, r2= 0, r3= 4.144, r4= 4.704,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 2122,2123,
&end
#
#  136  LYS HA  136  LYS QD
 &rst iat= 2117, -1, r1= 0, r2= 0, r3= 4.704, r4= 5.264,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 2125,2126,
&end
#
#  136  LYS QB  136  LYS QD
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 4.26496, r4= 4.89216,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 2119,2120,
igr2= 2125,2126,
&end
#
#  136  LYS QB  136  LYS QE
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.89568, r4= 6.52288,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 2119,2120,
igr2= 2128,2129,
&end
#
#  136  LYS QG  136  LYS QE
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.0176, r4= 5.6448,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 2122,2123,
igr2= 2128,2129,
&end
#
#  136  LYS H  137  GLN H
 &rst iat= 2115,2137, r1= 0, r2= 0, r3= 3.8, r4= 4.3,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  136  LYS H  137  GLN QG
 &rst iat= 2115, -1, r1= 0, r2= 0, r3= 5.824, r4= 6.384,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 2144,2145,
&end
#
#  136  LYS HA  137  GLN H
 &rst iat= 2117,2137, r1= 0, r2= 0, r3= 2.9, r4= 3.4,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  136  LYS HA  137  GLN QG
 &rst iat= 2117, -1, r1= 0, r2= 0, r3= 5.488, r4= 6.048,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 2144,2145,
&end
#
#  136  LYS QB  137  GLN H
 &rst iat= -1,2137, r1= 0, r2= 0, r3= 4.704, r4= 5.264,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 2119,2120,
&end
#
#  136  LYS QB  137  GLN QE
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 7.5264, r4= 8.1536,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 2119,2120,
igr2= 2149,2150,
&end
#
#  136  LYS QD  137  GLN QE
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 7.5264, r4= 8.1536,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 2125,2126,
igr2= 2149,2150,
&end
#
#  136  LYS QB  138  GLU HA
 &rst iat= -1,2156, r1= 0, r2= 0, r3= 6.72, r4= 7.28,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 2119,2120,
&end
#
#  136  LYS QB  138  GLU QG
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.02112, r4= 6.64832,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 2119,2120,
igr2= 2161,2162,
&end
#
#  136  LYS QG  138  GLU H
 &rst iat= -1,2154, r1= 0, r2= 0, r3= 6.72, r4= 7.28,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 2122,2123,
&end
#
#  136  LYS QD  138  GLU H
 &rst iat= -1,2154, r1= 0, r2= 0, r3= 6.496, r4= 7.056,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 2125,2126,
&end
#
#  136  LYS QD  138  GLU QG
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.64832, r4= 7.27552,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 2125,2126,
igr2= 2161,2162,
&end
#
#  136  LYS QE  138  GLU QG
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.64832, r4= 7.27552,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 2128,2129,
igr2= 2161,2162,
&end
#
#  137  GLN H  137  GLN QB
 &rst iat= 2137, -1, r1= 0, r2= 0, r3= 4.032, r4= 4.592,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 2141,2142,
&end
#
#  137  GLN H  137  GLN QG
 &rst iat= 2137, -1, r1= 0, r2= 0, r3= 4.256, r4= 4.816,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 2144,2145,
&end
#
#  137  GLN H  137  GLN QE
 &rst iat= 2137, -1, r1= 0, r2= 0, r3= 6.72, r4= 7.28,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 2149,2150,
&end
#
#  137  GLN HA  137  GLN QB
 &rst iat= 2139, -1, r1= 0, r2= 0, r3= 3.36, r4= 3.92,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 2141,2142,
&end
#
#  137  GLN HA  137  GLN QG
 &rst iat= 2139, -1, r1= 0, r2= 0, r3= 3.808, r4= 4.368,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 2144,2145,
&end
#
#  137  GLN QB  137  GLN QG
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 3.63776, r4= 4.26496,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 2141,2142,
igr2= 2144,2145,
&end
#
#  137  GLN QB  137  GLN QE
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.272, r4= 6.8992,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 2141,2142,
igr2= 2149,2150,
&end
#
#  137  GLN H  138  GLU H
 &rst iat= 2137,2154, r1= 0, r2= 0, r3= 4.1, r4= 4.6,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  137  GLN HA  138  GLU H
 &rst iat= 2139,2154, r1= 0, r2= 0, r3= 3, r4= 3.5,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  137  GLN HA  138  GLU HA
 &rst iat= 2139,2156, r1= 0, r2= 0, r3= 4.5, r4= 5,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  137  GLN HA  138  GLU QG
 &rst iat= 2139, -1, r1= 0, r2= 0, r3= 5.488, r4= 6.048,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 2161,2162,
&end
#
#  137  GLN QB  138  GLU H
 &rst iat= -1,2154, r1= 0, r2= 0, r3= 4.592, r4= 5.152,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 2141,2142,
&end
#
#  137  GLN QG  138  GLU H
 &rst iat= -1,2154, r1= 0, r2= 0, r3= 6.272, r4= 6.832,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 2144,2145,
&end
#
#  138  GLU H  138  GLU QB
 &rst iat= 2154, -1, r1= 0, r2= 0, r3= 4.032, r4= 4.592,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 2158,2159,
&end
#
#  138  GLU H  138  GLU QG
 &rst iat= 2154, -1, r1= 0, r2= 0, r3= 4.704, r4= 5.264,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 2161,2162,
&end
#
#  138  GLU HA  138  GLU QG
 &rst iat= 2156, -1, r1= 0, r2= 0, r3= 4.144, r4= 4.704,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 2161,2162,
&end
#
#  138  GLU QB  138  GLU QG
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 3.26144, r4= 3.88864,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 2158,2159,
igr2= 2161,2162,
&end
#
#  141  ILE H  141  ILE HA
 &rst iat= 2200,2202, r1= 0, r2= 0, r3= 3.2, r4= 3.7,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  141  ILE H  141  ILE QG1
 &rst iat= 2200, -1, r1= 0, r2= 0, r3= 5.6, r4= 6.16,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 2210,2211,
&end
#
#  141  ILE H  141  ILE QG2
 &rst iat= 2200, -1, r1= 0, r2= 0, r3= 6, r4= 6.6,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 2206,2207,2208,
&end
#
#  141  ILE H  141  ILE QD1
 &rst iat= 2200, -1, r1= 0, r2= 0, r3= 6, r4= 6.6,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 2213,2214,2215,
&end
#
#  141  ILE HA  142  THR H
 &rst iat= 2202,2219, r1= 0, r2= 0, r3= 2.9, r4= 3.4,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  141  ILE QG1  142  THR H
 &rst iat= -1,2219, r1= 0, r2= 0, r3= 4.928, r4= 5.488,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 2210,2211,
&end
#
#  141  ILE QG2  142  THR H
 &rst iat= -1,2219, r1= 0, r2= 0, r3= 4.08, r4= 4.68,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 2206,2207,2208,
&end
#
#  141  ILE QG2  143  SER H
 &rst iat= -1,2233, r1= 0, r2= 0, r3= 6, r4= 6.6,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 2206,2207,2208,
&end
#
#  142  THR H  142  THR HA
 &rst iat= 2219,2221, r1= 0, r2= 0, r3= 3.5, r4= 4,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  142  THR H  142  THR QG2
 &rst iat= 2219, -1, r1= 0, r2= 0, r3= 6, r4= 6.6,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 2225,2226,2227,
&end
#
#  142  THR HA  143  SER H
 &rst iat= 2221,2233, r1= 0, r2= 0, r3= 2.5, r4= 3,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  142  THR HB  143  SER H
 &rst iat= 2223,2233, r1= 0, r2= 0, r3= 3.2, r4= 3.7,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  142  THR QG2  143  SER H
 &rst iat= -1,2233, r1= 0, r2= 0, r3= 4.44, r4= 5.04,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 2225,2226,2227,
&end
#
#  143  SER H  143  SER HA
 &rst iat= 2233,2235, r1= 0, r2= 0, r3= 3.5, r4= 4,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  143  SER H  143  SER QB
 &rst iat= 2233, -1, r1= 0, r2= 0, r3= 3.92, r4= 4.48,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 2237,2238,
&end
#
#  143  SER H  144  GLN H
 &rst iat= 2233,2244, r1= 0, r2= 0, r3= 3.5, r4= 4,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  143  SER HA  144  GLN H
 &rst iat= 2235,2244, r1= 0, r2= 0, r3= 2.5, r4= 3,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  143  SER QB  144  GLN H
 &rst iat= -1,2244, r1= 0, r2= 0, r3= 4.144, r4= 4.704,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 2237,2238,
&end
#
#  144  GLN H  144  GLN HA
 &rst iat= 2244,2246, r1= 0, r2= 0, r3= 2.7, r4= 3.2,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  144  GLN H  144  GLN QB
 &rst iat= 2244, -1, r1= 0, r2= 0, r3= 3.696, r4= 4.256,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 2248,2249,
&end
#
#  144  GLN H  144  GLN QG
 &rst iat= 2244, -1, r1= 0, r2= 0, r3= 3.808, r4= 4.368,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 2251,2252,
&end
#
#  144  GLN QB  144  GLN QE2
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.77024, r4= 6.39744,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 2248,2249,
igr2= 2256,2257,
&end
#
#  144  GLN QG  144  GLN QE2
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 4.26496, r4= 4.89216,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 2251,2252,
igr2= 2256,2257,
&end
#
#  144  GLN H  145  VAL H
 &rst iat= 2244,2261, r1= 0, r2= 0, r3= 5, r4= 5.5,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  144  GLN HA  145  VAL H
 &rst iat= 2246,2261, r1= 0, r2= 0, r3= 2.5, r4= 3,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  144  GLN QB  145  VAL H
 &rst iat= -1,2261, r1= 0, r2= 0, r3= 4.256, r4= 4.816,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 2248,2249,
&end
#
#  144  GLN QG  145  VAL H
 &rst iat= -1,2261, r1= 0, r2= 0, r3= 5.6, r4= 6.16,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 2251,2252,
&end
#
#  145  VAL H  145  VAL HA
 &rst iat= 2261,2263, r1= 0, r2= 0, r3= 3, r4= 3.5,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  145  VAL H  145  VAL HB
 &rst iat= 2261,2265, r1= 0, r2= 0, r3= 3, r4= 3.5,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  145  VAL H  145  VAL QG
 &rst iat= 2261, -1, r1= 0, r2= 0, r3= 4.185, r4= 4.86,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 2267,2268,2269,2271,2272,2273,
&end
#
#  145  VAL H  146  T2P H
 &rst iat= 2261,2277, r1= 0, r2= 0, r3= 4.4, r4= 4.9,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  145  VAL HA  146  T2P H
 &rst iat= 2263,2277, r1= 0, r2= 0, r3= 2.5, r4= 3,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  145  VAL HB  146  T2P H
 &rst iat= 2265,2277, r1= 0, r2= 0, r3= 4.2, r4= 4.7,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  145  VAL QG  146  T2P H
 &rst iat= -1,2277, r1= 0, r2= 0, r3= 3.915, r4= 4.59,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 2267,2268,2269,2271,2272,2273,
&end
#
#  146  T2P H  146  T2P HA
 &rst iat= 2277,2279, r1= 0, r2= 0, r3= 2.9, r4= 3.4,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  146  T2P H  146  T2P HB
 &rst iat= 2277,2281, r1= 0, r2= 0, r3= 2.8, r4= 3.3,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  146  T2P H  146  T2P QG2
 &rst iat= 2277, -1, r1= 0, r2= 0, r3= 4.8, r4= 5.4,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 2283,2284,2285,
&end
#
#  146  T2P HA  147  GLY H
 &rst iat= 2279,2294, r1= 0, r2= 0, r3= 2.5, r4= 3,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  146  T2P HB  147  GLY H
 &rst iat= 2281,2294, r1= 0, r2= 0, r3= 3.5, r4= 4,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  146  T2P QG2  147  GLY H
 &rst iat= -1,2294, r1= 0, r2= 0, r3= 3.72, r4= 4.32,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 2283,2284,2285,
&end
#
#  146  T2P QG2  148  GLN QG
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 4.704, r4= 5.376,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 2283,2284,2285,
igr2= 2308,2309,
&end
#
#  146  T2P QG2  148  GLN QE2
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.72, r4= 7.392,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 2283,2284,2285,
igr2= 2313,2314,
&end
#
#  146  T2P HA  149  ILE H
 &rst iat= 2279,2318, r1= 0, r2= 0, r3= 5, r4= 5.5,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  146  T2P QG2  149  ILE H
 &rst iat= -1,2318, r1= 0, r2= 0, r3= 6, r4= 6.6,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 2283,2284,2285,
&end
#
#  146  T2P QG2  149  ILE QG2
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.04, r4= 5.76,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 2283,2284,2285,
igr2= 2324,2325,2326,
&end
#
#  146  T2P QG2  150  GLY H
 &rst iat= -1,2337, r1= 0, r2= 0, r3= 4.2, r4= 4.8,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 2283,2284,2285,
&end
#
#  146  T2P QG2  151  TRP H
 &rst iat= -1,2344, r1= 0, r2= 0, r3= 4.2, r4= 4.8,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 2283,2284,2285,
&end
#
#  146  T2P QG2  151  TRP QB
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.72, r4= 7.392,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 2283,2284,2285,
igr2= 2348,2349,
&end
#
#  146  T2P QG2  151  TRP HD1
 &rst iat= -1,2352, r1= 0, r2= 0, r3= 3.48, r4= 4.08,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 2283,2284,2285,
&end
#
#  146  T2P QG2  151  TRP HZ2
 &rst iat= -1,2357, r1= 0, r2= 0, r3= 6, r4= 6.6,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 2283,2284,2285,
&end
#
#  147  GLY H  147  GLY QA
 &rst iat= 2294, -1, r1= 0, r2= 0, r3= 4.256, r4= 4.816,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 2296,2297,
&end
#
#  147  GLY H  148  GLN H
 &rst iat= 2294,2301, r1= 0, r2= 0, r3= 2.9, r4= 3.4,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  147  GLY H  149  ILE H
 &rst iat= 2294,2318, r1= 0, r2= 0, r3= 3.5, r4= 4,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  148  GLN H  148  GLN QB
 &rst iat= 2301, -1, r1= 0, r2= 0, r3= 5.152, r4= 5.712,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 2305,2306,
&end
#
#  148  GLN H  148  GLN QG
 &rst iat= 2301, -1, r1= 0, r2= 0, r3= 5.264, r4= 5.824,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 2308,2309,
&end
#
#  148  GLN QG  148  GLN QE2
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 4.26496, r4= 4.89216,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 2308,2309,
igr2= 2313,2314,
&end
#
#  148  GLN H  149  ILE H
 &rst iat= 2301,2318, r1= 0, r2= 0, r3= 2.9, r4= 3.4,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  148  GLN HA  149  ILE H
 &rst iat= 2303,2318, r1= 0, r2= 0, r3= 3.5, r4= 4,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  148  GLN QB  149  ILE H
 &rst iat= -1,2318, r1= 0, r2= 0, r3= 5.6, r4= 6.16,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 2305,2306,
&end
#
#  148  GLN QG  149  ILE H
 &rst iat= -1,2318, r1= 0, r2= 0, r3= 5.6, r4= 6.16,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 2308,2309,
&end
#
#  148  GLN QE2  149  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= 2313,2314,
igr2= 2324,2325,2326,
&end
#
#  149  ILE H  149  ILE HA
 &rst iat= 2318,2320, r1= 0, r2= 0, r3= 3.5, r4= 4,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  149  ILE H  149  ILE QG1
 &rst iat= 2318, -1, r1= 0, r2= 0, r3= 5.6, r4= 6.16,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 2328,2329,
&end
#
#  149  ILE H  150  GLY H
 &rst iat= 2318,2337, r1= 0, r2= 0, r3= 2.9, r4= 3.4,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  149  ILE HA  150  GLY H
 &rst iat= 2320,2337, r1= 0, r2= 0, r3= 3.5, r4= 4,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  149  ILE HB  150  GLY H
 &rst iat= 2322,2337, r1= 0, r2= 0, r3= 4, r4= 4.5,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  149  ILE QG1  150  GLY H
 &rst iat= -1,2337, r1= 0, r2= 0, r3= 4.368, r4= 4.928,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 2328,2329,
&end
#
#  149  ILE QG2  150  GLY H
 &rst iat= -1,2337, r1= 0, r2= 0, r3= 3.72, r4= 4.32,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 2324,2325,2326,
&end
#
#  149  ILE H  151  TRP H
 &rst iat= 2318,2344, r1= 0, r2= 0, r3= 5, r4= 5.5,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  149  ILE QG2  151  TRP H
 &rst iat= -1,2344, r1= 0, r2= 0, r3= 4.2, r4= 4.8,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 2324,2325,2326,
&end
#
#  149  ILE QG2  151  TRP HD1
 &rst iat= -1,2352, r1= 0, r2= 0, r3= 4.2, r4= 4.8,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 2324,2325,2326,
&end
#
#  149  ILE QG2  151  TRP HZ2
 &rst iat= -1,2357, r1= 0, r2= 0, r3= 4.8, r4= 5.4,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 2324,2325,2326,
&end
#
#  150  GLY H  150  GLY QA
 &rst iat= 2337, -1, r1= 0, r2= 0, r3= 3.136, r4= 3.696,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 2339,2340,
&end
#
#  150  GLY H  151  TRP H
 &rst iat= 2337,2344, r1= 0, r2= 0, r3= 2.9, r4= 3.4,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  150  GLY H  151  TRP QB
 &rst iat= 2337, -1, r1= 0, r2= 0, r3= 4.928, r4= 5.488,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 2348,2349,
&end
#
#  150  GLY QA  151  TRP H
 &rst iat= -1,2344, r1= 0, r2= 0, r3= 3.136, r4= 3.696,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 2339,2340,
&end
#
#  150  GLY QA  151  TRP HD1
 &rst iat= -1,2352, r1= 0, r2= 0, r3= 5.6, r4= 6.16,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 2339,2340,
&end
#
#  151  TRP H  151  TRP HA
 &rst iat= 2344,2346, r1= 0, r2= 0, r3= 3.5, r4= 4,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  151  TRP HA  151  TRP HD1
 &rst iat= 2346,2352, r1= 0, r2= 0, r3= 5, r4= 5.5,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  151  TRP HA  151  TRP HE3
 &rst iat= 2346,2363, r1= 0, r2= 0, r3= 5, r4= 5.5,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  151  TRP QB  151  TRP HD1
 &rst iat= -1,2352, r1= 0, r2= 0, r3= 3.92, r4= 4.48,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 2348,2349,
&end
#
#  151  TRP QB  151  TRP HE3
 &rst iat= -1,2363, r1= 0, r2= 0, r3= 5.6, r4= 6.16,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 2348,2349,
&end
#
#  151  TRP HE1  151  TRP HZ2
 &rst iat= 2354,2357, r1= 0, r2= 0, r3= 3.2, r4= 3.7,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  151  TRP HZ2  151  TRP HH2
 &rst iat= 2357,2359, r1= 0, r2= 0, r3= 2.9, r4= 3.4,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  151  TRP HZ3  151  TRP HH2
 &rst iat= 2361,2359, r1= 0, r2= 0, r3= 2.5, r4= 3,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  151  TRP H  152  ARG HA
 &rst iat= 2344,2370, r1= 0, r2= 0, r3= 5.5, r4= 6,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  151  TRP H  152  ARG QG
 &rst iat= 2344, -1, r1= 0, r2= 0, r3= 5.6, r4= 6.16,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 2375,2376,
&end
#
#  151  TRP HA  152  ARG H
 &rst iat= 2346,2368, r1= 0, r2= 0, r3= 3, r4= 3.5,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  151  TRP QB  152  ARG H
 &rst iat= -1,2368, r1= 0, r2= 0, r3= 4.48, r4= 5.04,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 2348,2349,
&end
#
#  151  TRP HD1  152  ARG HA
 &rst iat= 2352,2370, r1= 0, r2= 0, r3= 5, r4= 5.5,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  151  TRP HD1  152  ARG QB
 &rst iat= 2352, -1, r1= 0, r2= 0, r3= 6.16, r4= 6.72,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 2372,2373,
&end
#
#  151  TRP HD1  152  ARG QG
 &rst iat= 2352, -1, r1= 0, r2= 0, r3= 5.6, r4= 6.16,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 2375,2376,
&end
#
#  151  TRP HE3  152  ARG H
 &rst iat= 2363,2368, r1= 0, r2= 0, r3= 4, r4= 4.5,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  151  TRP HE3  152  ARG QB
 &rst iat= 2363, -1, r1= 0, r2= 0, r3= 5.6, r4= 6.16,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 2372,2373,
&end
#
#  151  TRP HE3  152  ARG QG
 &rst iat= 2363, -1, r1= 0, r2= 0, r3= 5.6, r4= 6.16,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 2375,2376,
&end
#
#  152  ARG HA  153  ARG H
 &rst iat= 2370,2392, r1= 0, r2= 0, r3= 4.4, r4= 4.9,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  153  ARG H  153  ARG HA
 &rst iat= 2392,2394, r1= 0, r2= 0, r3= 4.6, r4= 5.1,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  38  ALA QB  144  GLN HA
 &rst iat= -1,2246, r1= 0, r2= 0, r3= 6, r4= 6.6,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 582,583,584,
&end
#
#  38  ALA HA  145  VAL QG
 &rst iat= 580, -1, r1= 0, r2= 0, r3= 6.75, r4= 7.425,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 2267,2268,2269,2271,2272,2273,
&end
#
#  38  ALA QB  145  VAL QG
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 4.05, r4= 4.86,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 582,583,584,
igr2= 2267,2268,2269,2271,2272,2273,
&end
#
#  39  SER HA  145  VAL QG
 &rst iat= 590, -1, r1= 0, r2= 0, r3= 6.75, r4= 7.425,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 2267,2268,2269,2271,2272,2273,
&end
#
#  39  SER QB  145  VAL QG
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 4.3848, r4= 5.1408,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 592,593,
igr2= 2267,2268,2269,2271,2272,2273,
&end
#
#  43  LEU QD  142  THR QG2
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 4.698, r4= 5.508,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 666,667,668,670,671,672,
igr2= 2225,2226,2227,
&end
#
#  43  LEU QD  143  SER HA
 &rst iat= -1,2235, r1= 0, r2= 0, r3= 5.4, r4= 6.075,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 666,667,668,670,671,672,
&end
#
#  43  LEU QD  143  SER QB
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.292, r4= 6.048,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 666,667,668,670,671,672,
igr2= 2237,2238,
&end
#
#  43  LEU QD  144  GLN HA
 &rst iat= -1,2246, r1= 0, r2= 0, r3= 4.725, r4= 5.4,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 666,667,668,670,671,672,
&end
#
#  43  LEU QD  144  GLN QB
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.292, r4= 6.048,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 666,667,668,670,671,672,
igr2= 2248,2249,
&end
#
#  43  LEU QD  144  GLN QG
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.048, r4= 6.804,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 666,667,668,670,671,672,
igr2= 2251,2252,
&end
#
#  43  LEU QD  145  VAL HA
 &rst iat= -1,2263, r1= 0, r2= 0, r3= 6.075, r4= 6.75,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 666,667,668,670,671,672,
&end
#
#  43  LEU QD  145  VAL QG
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.37875, r4= 7.29,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 666,667,668,670,671,672,
igr2= 2267,2268,2269,2271,2272,2273,
&end
#
#  89  THR HA  145  VAL QG
 &rst iat= 1383, -1, r1= 0, r2= 0, r3= 6.75, r4= 7.425,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 2267,2268,2269,2271,2272,2273,
&end
#
#  89  THR HB  145  VAL QG
 &rst iat= 1385, -1, r1= 0, r2= 0, r3= 6.75, r4= 7.425,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 2267,2268,2269,2271,2272,2273,
&end
#
#  89  THR QG2  145  VAL QG
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.67, r4= 6.48,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1387,1388,1389,
igr2= 2267,2268,2269,2271,2272,2273,
&end
#
#  90  VAL QG  145  VAL QG
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.37875, r4= 7.29,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1401,1402,1403,1405,1406,1407,
igr2= 2267,2268,2269,2271,2272,2273,
&end
#
#  91  THR HA  145  VAL QG
 &rst iat= 1413, -1, r1= 0, r2= 0, r3= 5.4, r4= 6.075,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 2267,2268,2269,2271,2272,2273,
&end
#
#  91  THR HB  145  VAL QG
 &rst iat= 1415, -1, r1= 0, r2= 0, r3= 5.4, r4= 6.075,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 2267,2268,2269,2271,2272,2273,
&end
#
#  91  THR QG2  145  VAL QG
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 4.698, r4= 5.508,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1417,1418,1419,
igr2= 2267,2268,2269,2271,2272,2273,
&end
#
#  92  ASP HA  145  VAL QG
 &rst iat= 1427, -1, r1= 0, r2= 0, r3= 5.4, r4= 6.075,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 2267,2268,2269,2271,2272,2273,
&end
#
#  92  ASP QB  145  VAL QG
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 4.3848, r4= 5.1408,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1429,1430,
igr2= 2267,2268,2269,2271,2272,2273,
&end
#
#  93  SER H  145  VAL HB
 &rst iat= 1437,2265, r1= 0, r2= 0, r3= 5, r4= 5.5,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  93  SER H  145  VAL QG
 &rst iat= 1437, -1, r1= 0, r2= 0, r3= 3.375, r4= 4.05,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 2267,2268,2269,2271,2272,2273,
&end
#
#  93  SER HA  145  VAL QG
 &rst iat= 1439, -1, r1= 0, r2= 0, r3= 4.725, r4= 5.4,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 2267,2268,2269,2271,2272,2273,
&end
#
#  93  SER QB  145  VAL QG
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 4.3848, r4= 5.1408,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1441,1442,
igr2= 2267,2268,2269,2271,2272,2273,
&end
#
#  93  SER H  146  T2P HA
 &rst iat= 1437,2279, r1= 0, r2= 0, r3= 5, r4= 5.5,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  93  SER H  146  T2P HB
 &rst iat= 1437,2281, r1= 0, r2= 0, r3= 3.5, r4= 4,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  93  SER H  146  T2P QG2
 &rst iat= 1437, -1, r1= 0, r2= 0, r3= 4.2, r4= 4.8,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 2283,2284,2285,
&end
#
#  94  SER HA  145  VAL QG
 &rst iat= 1450, -1, r1= 0, r2= 0, r3= 6.75, r4= 7.425,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 2267,2268,2269,2271,2272,2273,
&end
#
#  94  SER QB  145  VAL QG
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 7.56, r4= 8.316,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1452,1453,
igr2= 2267,2268,2269,2271,2272,2273,
&end
#
#  96  TYR QE  145  VAL HA
 &rst iat= -1,2263, r1= 0, r2= 0, r3= 3.92, r4= 4.48,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1493,1498,
&end
#
#  96  TYR QE  145  VAL QG
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.292, r4= 6.048,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1493,1498,
igr2= 2267,2268,2269,2271,2272,2273,
&end
#
#  122  PHE QD  152  ARG HA
 &rst iat= -1,2370, r1= 0, r2= 0, r3= 4.48, r4= 5.04,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1883,1891,
&end
#
#  122  PHE QD  152  ARG QB
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.272, r4= 6.8992,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1883,1891,
igr2= 2372,2373,
&end
#
#  122  PHE QD  152  ARG QD
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 4.3904, r4= 5.0176,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1883,1891,
igr2= 2378,2379,
&end
#
#  122  PHE QE  152  ARG HA
 &rst iat= -1,2370, r1= 0, r2= 0, r3= 3.248, r4= 3.808,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1885,1889,
&end
#
#  122  PHE QE  152  ARG QB
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 4.3904, r4= 5.0176,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1885,1889,
igr2= 2372,2373,
&end
#
#  122  PHE QE  152  ARG QG
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.272, r4= 6.8992,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1885,1889,
igr2= 2375,2376,
&end
#
#  122  PHE QE  152  ARG QD
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 3.63776, r4= 4.26496,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1885,1889,
igr2= 2378,2379,
&end
#
#  122  PHE QD  153  ARG QG
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.272, r4= 6.8992,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1883,1891,
igr2= 2399,2400,
&end
#
#  122  PHE QE  153  ARG QG
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 4.3904, r4= 5.0176,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1885,1889,
igr2= 2399,2400,
&end
#
#  122  PHE QE  153  ARG QD
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 4.3904, r4= 5.0176,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1885,1889,
igr2= 2402,2403,
&end
#

Contact the webmaster for help, if required. Thursday, May 2, 2024 9:27:50 AM GMT (wattos1)