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
496385 2l30 17157 cing 1-original 1 AMBER distance NOE simple


#  3  GLU QB  3  GLU QG
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 3.51232, r4= 4.13952,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 35,36,
igr2= 38,39,
&end
#
#  3  GLU HA  4  SER QB
 &rst iat= 33, -1, r1= 0, r2= 0, r3= 4.928, r4= 5.488,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 50,51,
&end
#
#  3  GLU QB  4  SER H
 &rst iat= -1,46, r1= 0, r2= 0, r3= 5.488, r4= 6.048,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 35,36,
&end
#
#  4  SER HA  4  SER QB
 &rst iat= 48, -1, r1= 0, r2= 0, r3= 3.36, r4= 3.92,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 50,51,
&end
#
#  5  SER HA  5  SER QB
 &rst iat= 59, -1, r1= 0, r2= 0, r3= 3.248, r4= 3.808,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 61,62,
&end
#
#  5  SER H  6  ASP HA
 &rst iat= 57,70, r1= 0, r2= 0, r3= 5.3, r4= 5.8,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  5  SER HA  6  ASP HA
 &rst iat= 59,70, r1= 0, r2= 0, r3= 4.4, r4= 4.9,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  5  SER H  7  LYS QE
 &rst iat= 57, -1, r1= 0, r2= 0, r3= 5.824, r4= 6.384,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 93,94,
&end
#
#  5  SER HA  7  LYS H
 &rst iat= 59,80, r1= 0, r2= 0, r3= 4.3, r4= 4.8,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  5  SER HA  7  LYS QG
 &rst iat= 59, -1, r1= 0, r2= 0, r3= 5.488, r4= 6.048,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 87,88,
&end
#
#  5  SER HA  7  LYS QE
 &rst iat= 59, -1, r1= 0, r2= 0, r3= 5.6, r4= 6.16,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 93,94,
&end
#
#  5  SER QB  7  LYS H
 &rst iat= -1,80, r1= 0, r2= 0, r3= 5.04, r4= 5.6,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 61,62,
&end
#
#  5  SER QB  47  LYS QB
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.77024, r4= 6.39744,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 61,62,
igr2= 716,717,
&end
#
#  5  SER QB  47  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= 61,62,
igr2= 719,720,
&end
#
#  6  ASP HA  6  ASP QB
 &rst iat= 70, -1, r1= 0, r2= 0, r3= 3.36, r4= 3.92,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 72,73,
&end
#
#  6  ASP H  7  LYS H
 &rst iat= 68,80, r1= 0, r2= 0, r3= 4.1, r4= 4.6,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  6  ASP H  7  LYS QD
 &rst iat= 68, -1, r1= 0, r2= 0, r3= 5.824, r4= 6.384,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 90,91,
&end
#
#  6  ASP HA  7  LYS H
 &rst iat= 70,80, r1= 0, r2= 0, r3= 3.2, r4= 3.7,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  6  ASP HA  7  LYS QG
 &rst iat= 70, -1, r1= 0, r2= 0, r3= 5.824, r4= 6.384,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 87,88,
&end
#
#  6  ASP HA  7  LYS QE
 &rst iat= 70, -1, r1= 0, r2= 0, r3= 5.936, r4= 6.496,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 93,94,
&end
#
#  6  ASP QB  7  LYS H
 &rst iat= -1,80, r1= 0, r2= 0, r3= 4.592, r4= 5.152,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 72,73,
&end
#
#  7  LYS H  7  LYS QB
 &rst iat= 80, -1, r1= 0, r2= 0, r3= 4.368, r4= 4.928,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 84,85,
&end
#
#  7  LYS H  7  LYS QG
 &rst iat= 80, -1, r1= 0, r2= 0, r3= 3.92, r4= 4.48,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 87,88,
&end
#
#  7  LYS H  7  LYS QD
 &rst iat= 80, -1, r1= 0, r2= 0, r3= 4.592, r4= 5.152,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 90,91,
&end
#
#  7  LYS H  7  LYS QE
 &rst iat= 80, -1, r1= 0, r2= 0, r3= 5.264, r4= 5.824,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 93,94,
&end
#
#  7  LYS HA  7  LYS QG
 &rst iat= 82, -1, r1= 0, r2= 0, r3= 3.696, r4= 4.256,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 87,88,
&end
#
#  7  LYS HA  7  LYS QD
 &rst iat= 82, -1, r1= 0, r2= 0, r3= 4.144, r4= 4.704,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 90,91,
&end
#
#  7  LYS QB  7  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= 84,85,
igr2= 90,91,
&end
#
#  7  LYS QG  7  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= 87,88,
igr2= 93,94,
&end
#
#  7  LYS H  8  LEU H
 &rst iat= 80,102, r1= 0, r2= 0, r3= 4.7, r4= 5.2,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  7  LYS HA  8  LEU H
 &rst iat= 82,102, r1= 0, r2= 0, r3= 3, r4= 3.5,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  7  LYS HA  8  LEU HA
 &rst iat= 82,104, r1= 0, r2= 0, r3= 4.5, r4= 5,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  7  LYS HA  8  LEU HG
 &rst iat= 82,109, r1= 0, r2= 0, r3= 5, r4= 5.5,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  7  LYS HA  8  LEU QD
 &rst iat= 82, -1, r1= 0, r2= 0, r3= 6.75, r4= 7.425,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 111,112,113,115,116,117,
&end
#
#  7  LYS QB  8  LEU H
 &rst iat= -1,102, r1= 0, r2= 0, r3= 4.48, r4= 5.04,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 84,85,
&end
#
#  7  LYS QB  8  LEU HA
 &rst iat= -1,104, r1= 0, r2= 0, r3= 5.376, r4= 5.936,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 84,85,
&end
#
#  7  LYS QG  8  LEU H
 &rst iat= -1,102, r1= 0, r2= 0, r3= 5.376, r4= 5.936,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 87,88,
&end
#
#  7  LYS QD  8  LEU H
 &rst iat= -1,102, r1= 0, r2= 0, r3= 5.488, r4= 6.048,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 90,91,
&end
#
#  7  LYS H  9  TYR H
 &rst iat= 80,121, r1= 0, r2= 0, r3= 5.1, r4= 5.6,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  7  LYS HA  9  TYR H
 &rst iat= 82,121, r1= 0, r2= 0, r3= 4, r4= 4.5,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  7  LYS QB  9  TYR H
 &rst iat= -1,121, r1= 0, r2= 0, r3= 4.704, r4= 5.264,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 84,85,
&end
#
#  7  LYS QD  9  TYR H
 &rst iat= -1,121, r1= 0, r2= 0, r3= 5.488, r4= 6.048,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 90,91,
&end
#
#  7  LYS QB  72  ASP H
 &rst iat= -1,1134, r1= 0, r2= 0, r3= 5.264, r4= 5.824,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 84,85,
&end
#
#  7  LYS QB  72  ASP QB
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.26848, r4= 5.89568,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 84,85,
igr2= 1138,1139,
&end
#
#  7  LYS QG  72  ASP QB
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.26848, r4= 5.89568,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 87,88,
igr2= 1138,1139,
&end
#
#  7  LYS QD  72  ASP H
 &rst iat= -1,1134, r1= 0, r2= 0, r3= 4.928, r4= 5.488,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 90,91,
&end
#
#  7  LYS QD  72  ASP QB
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 4.76672, r4= 5.39392,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 90,91,
igr2= 1138,1139,
&end
#
#  7  LYS QE  72  ASP QB
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.0176, r4= 5.6448,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 93,94,
igr2= 1138,1139,
&end
#
#  8  LEU H  8  LEU QB
 &rst iat= 102, -1, r1= 0, r2= 0, r3= 3.92, r4= 4.48,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 106,107,
&end
#
#  8  LEU H  8  LEU HG
 &rst iat= 102,109, r1= 0, r2= 0, r3= 4.1, r4= 4.6,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  8  LEU H  8  LEU QD
 &rst iat= 102, -1, r1= 0, r2= 0, r3= 5.4, r4= 6.075,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 111,112,113,115,116,117,
&end
#
#  8  LEU HA  8  LEU HG
 &rst iat= 104,109, r1= 0, r2= 0, r3= 4, r4= 4.5,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  8  LEU HA  8  LEU QD
 &rst iat= 104, -1, r1= 0, r2= 0, r3= 4.59, r4= 5.265,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 111,112,113,115,116,117,
&end
#
#  8  LEU QB  8  LEU QD
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 4.6872, r4= 5.4432,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 106,107,
igr2= 111,112,113,115,116,117,
&end
#
#  8  LEU H  9  TYR H
 &rst iat= 102,121, r1= 0, r2= 0, r3= 3.4, r4= 3.9,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  8  LEU H  9  TYR HA
 &rst iat= 102,123, r1= 0, r2= 0, r3= 5.5, r4= 6,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  8  LEU H  9  TYR QD
 &rst iat= 102, -1, r1= 0, r2= 0, r3= 5.824, r4= 6.384,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 129,138,
&end
#
#  8  LEU QB  9  TYR H
 &rst iat= -1,121, r1= 0, r2= 0, r3= 4.928, r4= 5.488,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 106,107,
&end
#
#  8  LEU QB  9  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= 106,107,
igr2= 129,138,
&end
#
#  8  LEU QB  9  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= 106,107,
igr2= 131,136,
&end
#
#  8  LEU HG  9  TYR H
 &rst iat= 109,121, r1= 0, r2= 0, r3= 4.7, r4= 5.2,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  8  LEU QD  9  TYR H
 &rst iat= -1,121, r1= 0, r2= 0, r3= 5.67, r4= 6.345,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 111,112,113,115,116,117,
&end
#
#  8  LEU QD  9  TYR QB
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.9552, r4= 7.7112,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 111,112,113,115,116,117,
igr2= 125,126,
&end
#
#  8  LEU QD  9  TYR QD
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 7.4088, r4= 8.1648,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 111,112,113,115,116,117,
igr2= 129,138,
&end
#
#  8  LEU QD  9  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= 111,112,113,115,116,117,
igr2= 131,136,
&end
#
#  8  LEU HA  37  ILE QG2
 &rst iat= 104, -1, r1= 0, r2= 0, r3= 5.4, r4= 6,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 568,569,570,
&end
#
#  8  LEU H  38  MET H
 &rst iat= 102,581, r1= 0, r2= 0, r3= 5.2, r4= 5.7,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  8  LEU HA  38  MET H
 &rst iat= 104,581, r1= 0, r2= 0, r3= 4.1, r4= 4.6,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  8  LEU HA  38  MET QB
 &rst iat= 104, -1, r1= 0, r2= 0, r3= 4.368, r4= 4.928,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 585,586,
&end
#
#  8  LEU HA  38  MET QG
 &rst iat= 104, -1, r1= 0, r2= 0, r3= 4.928, r4= 5.488,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 588,589,
&end
#
#  8  LEU HA  38  MET QE
 &rst iat= 104, -1, r1= 0, r2= 0, r3= 6.24, r4= 6.84,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 592,593,594,
&end
#
#  8  LEU QB  38  MET H
 &rst iat= -1,581, r1= 0, r2= 0, r3= 5.152, r4= 5.712,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 106,107,
&end
#
#  8  LEU QD  64  ILE QG2
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 7.938, r4= 8.748,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 111,112,113,115,116,117,
igr2= 1007,1008,1009,
&end
#
#  8  LEU QD  64  ILE QD1
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 8.91, r4= 9.72,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 111,112,113,115,116,117,
igr2= 1014,1015,1016,
&end
#
#  8  LEU H  70  GLU HA
 &rst iat= 102,1105, r1= 0, r2= 0, r3= 4.7, r4= 5.2,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  8  LEU QD  70  GLU QG
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.6528, r4= 7.4088,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 111,112,113,115,116,117,
igr2= 1110,1111,
&end
#
#  9  TYR H  9  TYR QB
 &rst iat= 121, -1, r1= 0, r2= 0, r3= 4.704, r4= 5.264,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 125,126,
&end
#
#  9  TYR H  9  TYR QD
 &rst iat= 121, -1, r1= 0, r2= 0, r3= 5.376, r4= 5.936,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 129,138,
&end
#
#  9  TYR HA  9  TYR QD
 &rst iat= 123, -1, r1= 0, r2= 0, r3= 4.256, r4= 4.816,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 129,138,
&end
#
#  9  TYR HA  9  TYR QE
 &rst iat= 123, -1, r1= 0, r2= 0, r3= 5.376, r4= 5.936,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 131,136,
&end
#
#  9  TYR QB  9  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= 125,126,
igr2= 131,136,
&end
#
#  9  TYR H  10  ARG H
 &rst iat= 121,142, r1= 0, r2= 0, r3= 5.2, r4= 5.7,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  9  TYR H  10  ARG HA
 &rst iat= 121,144, r1= 0, r2= 0, r3= 4.9, r4= 5.4,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  9  TYR HA  10  ARG H
 &rst iat= 123,142, r1= 0, r2= 0, r3= 3.2, r4= 3.7,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  9  TYR HA  10  ARG HA
 &rst iat= 123,144, r1= 0, r2= 0, r3= 5, r4= 5.5,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  9  TYR HA  10  ARG QB
 &rst iat= 123, -1, r1= 0, r2= 0, r3= 5.712, r4= 6.272,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 146,147,
&end
#
#  9  TYR QB  10  ARG H
 &rst iat= -1,142, r1= 0, r2= 0, r3= 4.368, r4= 4.928,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 125,126,
&end
#
#  9  TYR QD  10  ARG H
 &rst iat= -1,142, r1= 0, r2= 0, r3= 5.488, r4= 6.048,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 129,138,
&end
#
#  9  TYR QB  35  MET QE
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.4512, r4= 7.1232,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 125,126,
igr2= 546,547,548,
&end
#
#  9  TYR H  37  ILE QG1
 &rst iat= 121, -1, r1= 0, r2= 0, r3= 5.712, r4= 6.272,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 572,573,
&end
#
#  9  TYR HA  37  ILE HA
 &rst iat= 123,564, r1= 0, r2= 0, r3= 4, r4= 4.5,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  9  TYR HA  37  ILE QG1
 &rst iat= 123, -1, r1= 0, r2= 0, r3= 5.376, r4= 5.936,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 572,573,
&end
#
#  9  TYR HA  37  ILE QG2
 &rst iat= 123, -1, r1= 0, r2= 0, r3= 6.6, r4= 7.2,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 568,569,570,
&end
#
#  9  TYR HA  37  ILE QD1
 &rst iat= 123, -1, r1= 0, r2= 0, r3= 6.36, r4= 6.96,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 575,576,577,
&end
#
#  9  TYR QB  37  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= 125,126,
igr2= 572,573,
&end
#
#  9  TYR QB  37  ILE QD1
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.8544, r4= 7.5264,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 125,126,
igr2= 575,576,577,
&end
#
#  9  TYR QD  37  ILE HA
 &rst iat= -1,564, r1= 0, r2= 0, r3= 4.48, r4= 5.04,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 129,138,
&end
#
#  9  TYR QD  37  ILE QG1
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.14304, r4= 5.77024,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 129,138,
igr2= 572,573,
&end
#
#  9  TYR QD  37  ILE QD1
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.376, r4= 6.048,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 129,138,
igr2= 575,576,577,
&end
#
#  9  TYR QE  37  ILE QG1
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.14304, r4= 5.77024,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 131,136,
igr2= 572,573,
&end
#
#  9  TYR H  38  MET H
 &rst iat= 121,581, r1= 0, r2= 0, r3= 5.3, r4= 5.8,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  9  TYR HA  38  MET H
 &rst iat= 123,581, r1= 0, r2= 0, r3= 4.2, r4= 4.7,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  9  TYR QD  38  MET H
 &rst iat= -1,581, r1= 0, r2= 0, r3= 5.712, r4= 6.272,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 129,138,
&end
#
#  9  TYR QD  57  PHE HZ
 &rst iat= -1,896, r1= 0, r2= 0, r3= 4.816, r4= 5.376,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 129,138,
&end
#
#  9  TYR QE  57  PHE HZ
 &rst iat= -1,896, r1= 0, r2= 0, r3= 5.04, r4= 5.6,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 131,136,
&end
#
#  9  TYR QB  64  ILE QD1
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.2416, r4= 5.9136,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 125,126,
igr2= 1014,1015,1016,
&end
#
#  9  TYR QD  64  ILE QG1
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.64832, r4= 7.27552,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 129,138,
igr2= 1011,1012,
&end
#
#  9  TYR QD  64  ILE QD1
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 4.704, r4= 5.376,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 129,138,
igr2= 1014,1015,1016,
&end
#
#  9  TYR QE  64  ILE HA
 &rst iat= -1,1003, r1= 0, r2= 0, r3= 5.6, r4= 6.16,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 131,136,
&end
#
#  9  TYR QE  64  ILE QG1
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.89568, r4= 6.52288,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 131,136,
igr2= 1011,1012,
&end
#
#  9  TYR H  70  GLU HA
 &rst iat= 121,1105, r1= 0, r2= 0, r3= 4.8, r4= 5.3,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  9  TYR H  70  GLU QB
 &rst iat= 121, -1, r1= 0, r2= 0, r3= 5.04, r4= 5.6,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1107,1108,
&end
#
#  9  TYR QB  70  GLU QB
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.272, r4= 6.8992,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 125,126,
igr2= 1107,1108,
&end
#
#  9  TYR QD  70  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= 129,138,
igr2= 1107,1108,
&end
#
#  9  TYR H  71  VAL HA
 &rst iat= 121,1120, r1= 0, r2= 0, r3= 4.3, r4= 4.8,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  9  TYR H  71  VAL QG
 &rst iat= 121, -1, r1= 0, r2= 0, r3= 5.67, r4= 6.345,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1124,1125,1126,1128,1129,1130,
&end
#
#  9  TYR HA  71  VAL HA
 &rst iat= 123,1120, r1= 0, r2= 0, r3= 5, r4= 5.5,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  9  TYR HA  71  VAL QG
 &rst iat= 123, -1, r1= 0, r2= 0, r3= 6.075, r4= 6.75,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1124,1125,1126,1128,1129,1130,
&end
#
#  9  TYR QB  71  VAL HA
 &rst iat= -1,1120, r1= 0, r2= 0, r3= 4.48, r4= 5.04,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 125,126,
&end
#
#  9  TYR QB  71  VAL HB
 &rst iat= -1,1122, r1= 0, r2= 0, r3= 5.488, r4= 6.048,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 125,126,
&end
#
#  9  TYR QB  71  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= 125,126,
igr2= 1124,1125,1126,1128,1129,1130,
&end
#
#  9  TYR H  72  ASP H
 &rst iat= 121,1134, r1= 0, r2= 0, r3= 4.6, r4= 5.1,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  10  ARG H  10  ARG QB
 &rst iat= 142, -1, r1= 0, r2= 0, r3= 4.48, r4= 5.04,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 146,147,
&end
#
#  10  ARG H  10  ARG QD
 &rst iat= 142, -1, r1= 0, r2= 0, r3= 5.264, r4= 5.824,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 152,153,
&end
#
#  10  ARG HA  10  ARG QG
 &rst iat= 144, -1, r1= 0, r2= 0, r3= 4.704, r4= 5.264,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 149,150,
&end
#
#  10  ARG HA  10  ARG QD
 &rst iat= 144, -1, r1= 0, r2= 0, r3= 5.376, r4= 5.936,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 152,153,
&end
#
#  10  ARG QB  10  ARG QD
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 4.01408, r4= 4.64128,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 146,147,
igr2= 152,153,
&end
#
#  10  ARG H  11  VAL H
 &rst iat= 142,166, r1= 0, r2= 0, r3= 5.2, r4= 5.7,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  10  ARG HA  11  VAL H
 &rst iat= 144,166, r1= 0, r2= 0, r3= 3.3, r4= 3.8,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  10  ARG HA  11  VAL HA
 &rst iat= 144,168, r1= 0, r2= 0, r3= 4.9, r4= 5.4,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  10  ARG HA  11  VAL HB
 &rst iat= 144,170, r1= 0, r2= 0, r3= 4.7, r4= 5.2,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  10  ARG HA  11  VAL QG
 &rst iat= 144, -1, r1= 0, r2= 0, r3= 6.615, r4= 7.29,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 172,173,174,176,177,178,
&end
#
#  10  ARG QB  11  VAL H
 &rst iat= -1,166, r1= 0, r2= 0, r3= 4.368, r4= 4.928,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 146,147,
&end
#
#  10  ARG QG  11  VAL H
 &rst iat= -1,166, r1= 0, r2= 0, r3= 5.04, r4= 5.6,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 149,150,
&end
#
#  10  ARG QG  11  VAL HB
 &rst iat= -1,170, r1= 0, r2= 0, r3= 5.712, r4= 6.272,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 149,150,
&end
#
#  10  ARG QG  11  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= 149,150,
igr2= 172,173,174,176,177,178,
&end
#
#  10  ARG QD  11  VAL H
 &rst iat= -1,166, r1= 0, r2= 0, r3= 4.928, r4= 5.488,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 152,153,
&end
#
#  10  ARG QD  11  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= 152,153,
igr2= 172,173,174,176,177,178,
&end
#
#  10  ARG QG  12  GLU H
 &rst iat= -1,182, r1= 0, r2= 0, r3= 5.6, r4= 6.16,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 149,150,
&end
#
#  10  ARG QG  12  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= 149,150,
igr2= 186,187,
&end
#
#  10  ARG QG  12  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= 149,150,
igr2= 189,190,
&end
#
#  10  ARG H  35  MET QE
 &rst iat= 142, -1, r1= 0, r2= 0, r3= 4.68, r4= 5.28,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 546,547,548,
&end
#
#  10  ARG HA  35  MET QE
 &rst iat= 144, -1, r1= 0, r2= 0, r3= 6.36, r4= 6.96,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 546,547,548,
&end
#
#  10  ARG H  36  ALA H
 &rst iat= 142,552, r1= 0, r2= 0, r3= 3.7, r4= 4.2,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  10  ARG H  36  ALA QB
 &rst iat= 142, -1, r1= 0, r2= 0, r3= 5.28, r4= 5.88,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 556,557,558,
&end
#
#  10  ARG QB  36  ALA H
 &rst iat= -1,552, r1= 0, r2= 0, r3= 5.376, r4= 5.936,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 146,147,
&end
#
#  10  ARG QB  36  ALA QB
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 4.3008, r4= 4.9728,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 146,147,
igr2= 556,557,558,
&end
#
#  10  ARG QG  36  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= 149,150,
igr2= 556,557,558,
&end
#
#  10  ARG QD  36  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= 152,153,
igr2= 556,557,558,
&end
#
#  10  ARG H  37  ILE HA
 &rst iat= 142,564, r1= 0, r2= 0, r3= 4.6, r4= 5.1,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  10  ARG QB  51  TRP HH2
 &rst iat= -1,796, r1= 0, r2= 0, r3= 5.936, r4= 6.496,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 146,147,
&end
#
#  10  ARG QG  51  TRP HA
 &rst iat= -1,783, r1= 0, r2= 0, r3= 5.824, r4= 6.384,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 149,150,
&end
#
#  10  ARG QG  51  TRP HZ2
 &rst iat= -1,794, r1= 0, r2= 0, r3= 5.936, r4= 6.496,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 149,150,
&end
#
#  10  ARG QG  51  TRP HZ3
 &rst iat= -1,798, r1= 0, r2= 0, r3= 6.16, r4= 6.72,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 149,150,
&end
#
#  10  ARG QG  51  TRP HH2
 &rst iat= -1,796, r1= 0, r2= 0, r3= 5.488, r4= 6.048,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 149,150,
&end
#
#  10  ARG QD  51  TRP HZ3
 &rst iat= -1,798, r1= 0, r2= 0, r3= 4.592, r4= 5.152,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 152,153,
&end
#
#  10  ARG QD  51  TRP HH2
 &rst iat= -1,796, r1= 0, r2= 0, r3= 5.6, r4= 6.16,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 152,153,
&end
#
#  10  ARG H  71  VAL QG
 &rst iat= 142, -1, r1= 0, r2= 0, r3= 5.805, r4= 6.48,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1124,1125,1126,1128,1129,1130,
&end
#
#  10  ARG HA  71  VAL HA
 &rst iat= 144,1120, r1= 0, r2= 0, r3= 4.6, r4= 5.1,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  10  ARG HA  71  VAL QG
 &rst iat= 144, -1, r1= 0, r2= 0, r3= 5.13, r4= 5.805,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1124,1125,1126,1128,1129,1130,
&end
#
#  10  ARG QD  71  VAL HA
 &rst iat= -1,1120, r1= 0, r2= 0, r3= 6.16, r4= 6.72,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 152,153,
&end
#
#  10  ARG QD  71  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= 152,153,
igr2= 1124,1125,1126,1128,1129,1130,
&end
#
#  10  ARG HA  72  ASP H
 &rst iat= 144,1134, r1= 0, r2= 0, r3= 3.9, r4= 4.4,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  10  ARG HA  72  ASP HA
 &rst iat= 144,1136, r1= 0, r2= 0, r3= 4.8, r4= 5.3,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  10  ARG HA  72  ASP QB
 &rst iat= 144, -1, r1= 0, r2= 0, r3= 4.032, r4= 4.592,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1138,1139,
&end
#
#  10  ARG QB  72  ASP H
 &rst iat= -1,1134, r1= 0, r2= 0, r3= 5.264, r4= 5.824,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 146,147,
&end
#
#  10  ARG QB  72  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= 146,147,
igr2= 1138,1139,
&end
#
#  10  ARG QG  72  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= 149,150,
igr2= 1138,1139,
&end
#
#  10  ARG QD  72  ASP H
 &rst iat= -1,1134, r1= 0, r2= 0, r3= 5.488, r4= 6.048,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 152,153,
&end
#
#  10  ARG QD  72  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= 152,153,
igr2= 1138,1139,
&end
#
#  10  ARG QD  73  GLY H
 &rst iat= -1,1146, r1= 0, r2= 0, r3= 6.16, r4= 6.72,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 152,153,
&end
#
#  11  VAL H  11  VAL QG
 &rst iat= 166, -1, r1= 0, r2= 0, r3= 4.59, r4= 5.265,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 172,173,174,176,177,178,
&end
#
#  11  VAL HA  11  VAL QG
 &rst iat= 168, -1, r1= 0, r2= 0, r3= 4.455, r4= 5.13,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 172,173,174,176,177,178,
&end
#
#  11  VAL H  12  GLU H
 &rst iat= 166,182, r1= 0, r2= 0, r3= 4.8, r4= 5.3,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  11  VAL HA  12  GLU H
 &rst iat= 168,182, r1= 0, r2= 0, r3= 3.1, r4= 3.6,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  11  VAL HA  12  GLU HA
 &rst iat= 168,184, r1= 0, r2= 0, r3= 4.5, r4= 5,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  11  VAL HA  12  GLU QG
 &rst iat= 168, -1, r1= 0, r2= 0, r3= 5.264, r4= 5.824,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 189,190,
&end
#
#  11  VAL HB  12  GLU H
 &rst iat= 170,182, r1= 0, r2= 0, r3= 4.3, r4= 4.8,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  11  VAL QG  12  GLU H
 &rst iat= -1,182, r1= 0, r2= 0, r3= 4.32, r4= 4.995,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 172,173,174,176,177,178,
&end
#
#  11  VAL QG  12  GLU HA
 &rst iat= -1,184, r1= 0, r2= 0, r3= 5.94, r4= 6.615,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 172,173,174,176,177,178,
&end
#
#  11  VAL QG  12  GLU QB
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 7.2576, r4= 8.0136,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 172,173,174,176,177,178,
igr2= 186,187,
&end
#
#  11  VAL QG  13  TYR H
 &rst iat= -1,197, r1= 0, r2= 0, r3= 7.425, r4= 8.1,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 172,173,174,176,177,178,
&end
#
#  11  VAL HA  33  LEU QD
 &rst iat= 168, -1, r1= 0, r2= 0, r3= 6.885, r4= 7.56,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 501,502,503,505,506,507,
&end
#
#  11  VAL QG  33  LEU HG
 &rst iat= -1,499, r1= 0, r2= 0, r3= 5.94, r4= 6.615,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 172,173,174,176,177,178,
&end
#
#  11  VAL QG  33  LEU QD
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.01425, r4= 6.9255,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 172,173,174,176,177,178,
igr2= 501,502,503,505,506,507,
&end
#
#  11  VAL HA  34  ARG H
 &rst iat= 168,511, r1= 0, r2= 0, r3= 4.6, r4= 5.1,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  11  VAL QG  34  ARG H
 &rst iat= -1,511, r1= 0, r2= 0, r3= 5.67, r4= 6.345,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 172,173,174,176,177,178,
&end
#
#  11  VAL H  35  MET QE
 &rst iat= 166, -1, r1= 0, r2= 0, r3= 5.88, r4= 6.48,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 546,547,548,
&end
#
#  11  VAL HA  35  MET H
 &rst iat= 168,535, r1= 0, r2= 0, r3= 4.6, r4= 5.1,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  11  VAL HA  35  MET HA
 &rst iat= 168,537, r1= 0, r2= 0, r3= 3.7, r4= 4.2,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  11  VAL HA  35  MET QB
 &rst iat= 168, -1, r1= 0, r2= 0, r3= 5.04, r4= 5.6,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 539,540,
&end
#
#  11  VAL HA  35  MET QG
 &rst iat= 168, -1, r1= 0, r2= 0, r3= 4.592, r4= 5.152,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 542,543,
&end
#
#  11  VAL HB  35  MET HA
 &rst iat= 170,537, r1= 0, r2= 0, r3= 4.5, r4= 5,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  11  VAL QG  35  MET HA
 &rst iat= -1,537, r1= 0, r2= 0, r3= 5.4, r4= 6.075,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 172,173,174,176,177,178,
&end
#
#  11  VAL QG  35  MET QG
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.1408, r4= 5.8968,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 172,173,174,176,177,178,
igr2= 542,543,
&end
#
#  11  VAL HA  36  ALA H
 &rst iat= 168,552, r1= 0, r2= 0, r3= 4.3, r4= 4.8,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  11  VAL QG  36  ALA H
 &rst iat= -1,552, r1= 0, r2= 0, r3= 7.425, r4= 8.1,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 172,173,174,176,177,178,
&end
#
#  11  VAL H  51  TRP HZ3
 &rst iat= 166,798, r1= 0, r2= 0, r3= 5.5, r4= 6,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  11  VAL HA  51  TRP HZ3
 &rst iat= 168,798, r1= 0, r2= 0, r3= 5.4, r4= 5.9,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  11  VAL QG  54  PHE HA
 &rst iat= -1,845, r1= 0, r2= 0, r3= 6.75, r4= 7.425,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 172,173,174,176,177,178,
&end
#
#  11  VAL QG  54  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= 172,173,174,176,177,178,
igr2= 851,859,
&end
#
#  11  VAL QG  54  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= 172,173,174,176,177,178,
igr2= 853,857,
&end
#
#  11  VAL H  71  VAL QG
 &rst iat= 166, -1, r1= 0, r2= 0, r3= 4.86, r4= 5.535,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1124,1125,1126,1128,1129,1130,
&end
#
#  11  VAL HB  71  VAL HA
 &rst iat= 170,1120, r1= 0, r2= 0, r3= 4.6, r4= 5.1,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  11  VAL HB  71  VAL QG
 &rst iat= 170, -1, r1= 0, r2= 0, r3= 4.725, r4= 5.4,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1124,1125,1126,1128,1129,1130,
&end
#
#  11  VAL QG  71  VAL HA
 &rst iat= -1,1120, r1= 0, r2= 0, r3= 6.345, r4= 7.02,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 172,173,174,176,177,178,
&end
#
#  11  VAL H  72  ASP H
 &rst iat= 166,1134, r1= 0, r2= 0, r3= 4.9, r4= 5.4,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  11  VAL H  73  GLY H
 &rst iat= 166,1146, r1= 0, r2= 0, r3= 4.8, r4= 5.3,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  11  VAL H  73  GLY QA
 &rst iat= 166, -1, r1= 0, r2= 0, r3= 5.264, r4= 5.824,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1148,1149,
&end
#
#  11  VAL QG  73  GLY QA
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.804, r4= 7.56,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 172,173,174,176,177,178,
igr2= 1148,1149,
&end
#
#  11  VAL H  74  PHE H
 &rst iat= 166,1153, r1= 0, r2= 0, r3= 5.3, r4= 5.8,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  11  VAL QG  74  PHE H
 &rst iat= -1,1153, r1= 0, r2= 0, r3= 5.535, r4= 6.21,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 172,173,174,176,177,178,
&end
#
#  11  VAL QG  74  PHE HA
 &rst iat= -1,1155, r1= 0, r2= 0, r3= 4.86, r4= 5.535,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 172,173,174,176,177,178,
&end
#
#  11  VAL QG  74  PHE QB
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.5016, r4= 7.2576,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 172,173,174,176,177,178,
igr2= 1157,1158,
&end
#
#  11  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= 172,173,174,176,177,178,
igr2= 1161,1169,
&end
#
#  11  VAL QG  75  SER H
 &rst iat= -1,1173, r1= 0, r2= 0, r3= 6.075, r4= 6.75,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 172,173,174,176,177,178,
&end
#
#  11  VAL QG  76  GLU H
 &rst iat= -1,1184, r1= 0, r2= 0, r3= 6.885, r4= 7.56,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 172,173,174,176,177,178,
&end
#
#  11  VAL H  77  LEU QD
 &rst iat= 166, -1, r1= 0, r2= 0, r3= 7.155, r4= 7.83,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1208,1209,1210,1212,1213,1214,
&end
#
#  11  VAL HA  77  LEU QD
 &rst iat= 168, -1, r1= 0, r2= 0, r3= 7.29, r4= 7.965,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1208,1209,1210,1212,1213,1214,
&end
#
#  11  VAL QG  77  LEU H
 &rst iat= -1,1199, r1= 0, r2= 0, r3= 7.425, r4= 8.1,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 172,173,174,176,177,178,
&end
#
#  11  VAL QG  77  LEU HG
 &rst iat= -1,1206, r1= 0, r2= 0, r3= 6.21, r4= 6.885,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 172,173,174,176,177,178,
&end
#
#  11  VAL QG  77  LEU QD
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.561, r4= 7.47225,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 172,173,174,176,177,178,
igr2= 1208,1209,1210,1212,1213,1214,
&end
#
#  11  VAL QG  85  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= 172,173,174,176,177,178,
igr2= 1352,1353,1354,1356,1357,1358,
&end
#
#  12  GLU H  12  GLU QG
 &rst iat= 182, -1, r1= 0, r2= 0, r3= 5.04, r4= 5.6,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 189,190,
&end
#
#  12  GLU HA  12  GLU QG
 &rst iat= 184, -1, r1= 0, r2= 0, r3= 4.704, r4= 5.264,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 189,190,
&end
#
#  12  GLU H  13  TYR H
 &rst iat= 182,197, r1= 0, r2= 0, r3= 4.6, r4= 5.1,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  12  GLU H  13  TYR QD
 &rst iat= 182, -1, r1= 0, r2= 0, r3= 6.16, r4= 6.72,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 205,214,
&end
#
#  12  GLU HA  13  TYR H
 &rst iat= 184,197, r1= 0, r2= 0, r3= 3.1, r4= 3.6,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  12  GLU HA  13  TYR HA
 &rst iat= 184,199, r1= 0, r2= 0, r3= 5, r4= 5.5,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  12  GLU HA  13  TYR QD
 &rst iat= 184, -1, r1= 0, r2= 0, r3= 4.928, r4= 5.488,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 205,214,
&end
#
#  12  GLU QB  13  TYR H
 &rst iat= -1,197, r1= 0, r2= 0, r3= 4.368, r4= 4.928,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 186,187,
&end
#
#  12  GLU QG  13  TYR H
 &rst iat= -1,197, r1= 0, r2= 0, r3= 5.376, r4= 5.936,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 189,190,
&end
#
#  12  GLU QG  14  ALA HA
 &rst iat= -1,220, r1= 0, r2= 0, r3= 4.592, r4= 5.152,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 189,190,
&end
#
#  12  GLU H  33  LEU HA
 &rst iat= 182,494, r1= 0, r2= 0, r3= 4.9, r4= 5.4,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  12  GLU H  33  LEU HG
 &rst iat= 182,499, r1= 0, r2= 0, r3= 5.5, r4= 6,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  12  GLU H  33  LEU QD
 &rst iat= 182, -1, r1= 0, r2= 0, r3= 5.535, r4= 6.21,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 501,502,503,505,506,507,
&end
#
#  12  GLU HA  33  LEU QD
 &rst iat= 184, -1, r1= 0, r2= 0, r3= 6.21, r4= 6.885,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 501,502,503,505,506,507,
&end
#
#  12  GLU H  34  ARG H
 &rst iat= 182,511, r1= 0, r2= 0, r3= 4, r4= 4.5,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  12  GLU H  34  ARG QG
 &rst iat= 182, -1, r1= 0, r2= 0, r3= 5.712, r4= 6.272,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 518,519,
&end
#
#  12  GLU H  35  MET H
 &rst iat= 182,535, r1= 0, r2= 0, r3= 5.4, r4= 5.9,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  12  GLU H  35  MET HA
 &rst iat= 182,537, r1= 0, r2= 0, r3= 3.9, r4= 4.4,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  12  GLU H  35  MET QG
 &rst iat= 182, -1, r1= 0, r2= 0, r3= 5.264, r4= 5.824,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 542,543,
&end
#
#  12  GLU H  51  TRP HZ3
 &rst iat= 182,798, r1= 0, r2= 0, r3= 5.1, r4= 5.6,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  12  GLU QB  51  TRP HH2
 &rst iat= -1,796, r1= 0, r2= 0, r3= 6.16, r4= 6.72,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 186,187,
&end
#
#  12  GLU QG  51  TRP HZ3
 &rst iat= -1,798, r1= 0, r2= 0, r3= 5.376, r4= 5.936,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 189,190,
&end
#
#  12  GLU QG  51  TRP HH2
 &rst iat= -1,796, r1= 0, r2= 0, r3= 5.936, r4= 6.496,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 189,190,
&end
#
#  12  GLU HA  76  GLU QB
 &rst iat= 184, -1, r1= 0, r2= 0, r3= 5.712, r4= 6.272,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1188,1189,
&end
#
#  12  GLU H  77  LEU QD
 &rst iat= 182, -1, r1= 0, r2= 0, r3= 5.94, r4= 6.615,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1208,1209,1210,1212,1213,1214,
&end
#
#  12  GLU HA  77  LEU QD
 &rst iat= 184, -1, r1= 0, r2= 0, r3= 4.86, r4= 5.535,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1208,1209,1210,1212,1213,1214,
&end
#
#  13  TYR H  13  TYR QB
 &rst iat= 197, -1, r1= 0, r2= 0, r3= 4.368, r4= 4.928,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 201,202,
&end
#
#  13  TYR H  13  TYR QD
 &rst iat= 197, -1, r1= 0, r2= 0, r3= 4.592, r4= 5.152,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 205,214,
&end
#
#  13  TYR HA  13  TYR QD
 &rst iat= 199, -1, r1= 0, r2= 0, r3= 3.92, r4= 4.48,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 205,214,
&end
#
#  13  TYR HA  13  TYR QE
 &rst iat= 199, -1, r1= 0, r2= 0, r3= 5.152, r4= 5.712,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 207,212,
&end
#
#  13  TYR QB  13  TYR QD
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 4.51584, r4= 5.14304,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 201,202,
igr2= 205,214,
&end
#
#  13  TYR H  14  ALA H
 &rst iat= 197,218, r1= 0, r2= 0, r3= 5.2, r4= 5.7,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  13  TYR HA  14  ALA H
 &rst iat= 199,218, r1= 0, r2= 0, r3= 3.1, r4= 3.6,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  13  TYR HA  14  ALA HA
 &rst iat= 199,220, r1= 0, r2= 0, r3= 4.4, r4= 4.9,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  13  TYR HA  14  ALA QB
 &rst iat= 199, -1, r1= 0, r2= 0, r3= 4.92, r4= 5.52,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 222,223,224,
&end
#
#  13  TYR QB  14  ALA H
 &rst iat= -1,218, r1= 0, r2= 0, r3= 4.816, r4= 5.376,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 201,202,
&end
#
#  13  TYR QD  14  ALA H
 &rst iat= -1,218, r1= 0, r2= 0, r3= 4.928, r4= 5.488,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 205,214,
&end
#
#  13  TYR QD  14  ALA QB
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 7.392, r4= 8.064,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 205,214,
igr2= 222,223,224,
&end
#
#  13  TYR H  33  LEU HA
 &rst iat= 197,494, r1= 0, r2= 0, r3= 5, r4= 5.5,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  13  TYR H  33  LEU QD
 &rst iat= 197, -1, r1= 0, r2= 0, r3= 7.425, r4= 8.1,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 501,502,503,505,506,507,
&end
#
#  13  TYR HA  33  LEU HA
 &rst iat= 199,494, r1= 0, r2= 0, r3= 4.2, r4= 4.7,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  13  TYR HA  33  LEU QB
 &rst iat= 199, -1, r1= 0, r2= 0, r3= 5.712, r4= 6.272,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 496,497,
&end
#
#  13  TYR HA  33  LEU QD
 &rst iat= 199, -1, r1= 0, r2= 0, r3= 5.805, r4= 6.48,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 501,502,503,505,506,507,
&end
#
#  13  TYR QD  33  LEU HA
 &rst iat= -1,494, r1= 0, r2= 0, r3= 4.816, r4= 5.376,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 205,214,
&end
#
#  13  TYR QD  33  LEU QB
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.77024, r4= 6.39744,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 205,214,
igr2= 496,497,
&end
#
#  13  TYR QD  33  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= 205,214,
igr2= 501,502,503,505,506,507,
&end
#
#  13  TYR QE  33  LEU HA
 &rst iat= -1,494, r1= 0, r2= 0, r3= 6.16, r4= 6.72,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 207,212,
&end
#
#  13  TYR QE  33  LEU QB
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.89568, r4= 6.52288,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 207,212,
igr2= 496,497,
&end
#
#  13  TYR QE  33  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= 207,212,
igr2= 501,502,503,505,506,507,
&end
#
#  13  TYR H  34  ARG H
 &rst iat= 197,511, r1= 0, r2= 0, r3= 5.4, r4= 5.9,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  13  TYR HA  34  ARG H
 &rst iat= 199,511, r1= 0, r2= 0, r3= 4.7, r4= 5.2,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  13  TYR HA  34  ARG QG
 &rst iat= 199, -1, r1= 0, r2= 0, r3= 5.824, r4= 6.384,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 518,519,
&end
#
#  13  TYR H  76  GLU QB
 &rst iat= 197, -1, r1= 0, r2= 0, r3= 6.16, r4= 6.72,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1188,1189,
&end
#
#  13  TYR H  77  LEU HG
 &rst iat= 197,1206, r1= 0, r2= 0, r3= 4.9, r4= 5.4,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  13  TYR H  77  LEU QD
 &rst iat= 197, -1, r1= 0, r2= 0, r3= 5.535, r4= 6.21,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1208,1209,1210,1212,1213,1214,
&end
#
#  13  TYR HA  77  LEU QD
 &rst iat= 199, -1, r1= 0, r2= 0, r3= 6.885, r4= 7.56,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1208,1209,1210,1212,1213,1214,
&end
#
#  13  TYR QD  77  LEU HA
 &rst iat= -1,1201, r1= 0, r2= 0, r3= 5.04, r4= 5.6,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 205,214,
&end
#
#  13  TYR QD  77  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= 205,214,
igr2= 1208,1209,1210,1212,1213,1214,
&end
#
#  13  TYR QE  77  LEU HA
 &rst iat= -1,1201, r1= 0, r2= 0, r3= 4.032, r4= 4.592,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 207,212,
&end
#
#  13  TYR QE  77  LEU QB
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.272, r4= 6.8992,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 207,212,
igr2= 1203,1204,
&end
#
#  13  TYR QE  77  LEU HG
 &rst iat= -1,1206, r1= 0, r2= 0, r3= 5.824, r4= 6.384,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 207,212,
&end
#
#  13  TYR QE  77  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= 207,212,
igr2= 1208,1209,1210,1212,1213,1214,
&end
#
#  13  TYR QE  78  ARG H
 &rst iat= -1,1218, r1= 0, r2= 0, r3= 4.48, r4= 5.04,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 207,212,
&end
#
#  14  ALA H  14  ALA QB
 &rst iat= 218, -1, r1= 0, r2= 0, r3= 3.6, r4= 4.2,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 222,223,224,
&end
#
#  14  ALA QB  15  LYS H
 &rst iat= -1,228, r1= 0, r2= 0, r3= 6.6, r4= 7.2,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 222,223,224,
&end
#
#  14  ALA HA  16  SER H
 &rst iat= 220,250, r1= 0, r2= 0, r3= 5.2, r4= 5.7,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  14  ALA QB  16  SER H
 &rst iat= -1,250, r1= 0, r2= 0, r3= 5.28, r4= 5.88,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 222,223,224,
&end
#
#  14  ALA QB  28  ILE QG2
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.328, r4= 6.048,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 222,223,224,
igr2= 420,421,422,
&end
#
#  14  ALA HA  30  LYS HA
 &rst iat= 220,449, r1= 0, r2= 0, r3= 4.9, r4= 5.4,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  14  ALA QB  30  LYS H
 &rst iat= -1,447, r1= 0, r2= 0, r3= 6.36, r4= 6.96,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 222,223,224,
&end
#
#  14  ALA QB  30  LYS HA
 &rst iat= -1,449, r1= 0, r2= 0, r3= 4.2, r4= 4.8,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 222,223,224,
&end
#
#  14  ALA QB  30  LYS QB
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.7792, r4= 6.4512,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 222,223,224,
igr2= 451,452,
&end
#
#  14  ALA QB  31  ASP H
 &rst iat= -1,469, r1= 0, r2= 0, r3= 4.68, r4= 5.28,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 222,223,224,
&end
#
#  14  ALA QB  31  ASP HA
 &rst iat= -1,471, r1= 0, r2= 0, r3= 5.28, r4= 5.88,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 222,223,224,
&end
#
#  14  ALA H  32  SER H
 &rst iat= 218,481, r1= 0, r2= 0, r3= 4.5, r4= 5,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  14  ALA H  32  SER HA
 &rst iat= 218,483, r1= 0, r2= 0, r3= 4.9, r4= 5.4,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  14  ALA QB  32  SER H
 &rst iat= -1,481, r1= 0, r2= 0, r3= 4.2, r4= 4.8,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 222,223,224,
&end
#
#  14  ALA QB  32  SER HA
 &rst iat= -1,483, r1= 0, r2= 0, r3= 6, r4= 6.6,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 222,223,224,
&end
#
#  14  ALA QB  32  SER QB
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.5104, r4= 6.1824,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 222,223,224,
igr2= 485,486,
&end
#
#  14  ALA H  33  LEU HA
 &rst iat= 218,494, r1= 0, r2= 0, r3= 4.9, r4= 5.4,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  14  ALA QB  33  LEU HA
 &rst iat= -1,494, r1= 0, r2= 0, r3= 5.64, r4= 6.24,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 222,223,224,
&end
#
#  14  ALA HA  34  ARG QG
 &rst iat= 220, -1, r1= 0, r2= 0, r3= 4.592, r4= 5.152,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 518,519,
&end
#
#  14  ALA QB  34  ARG QG
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 4.4352, r4= 5.1072,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 222,223,224,
igr2= 518,519,
&end
#
#  14  ALA QB  34  ARG QD
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.6448, r4= 6.3168,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 222,223,224,
igr2= 521,522,
&end
#
#  15  LYS H  15  LYS QD
 &rst iat= 228, -1, r1= 0, r2= 0, r3= 5.488, r4= 6.048,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 238,239,
&end
#
#  15  LYS HA  15  LYS QG
 &rst iat= 230, -1, r1= 0, r2= 0, r3= 3.808, r4= 4.368,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 235,236,
&end
#
#  15  LYS HA  15  LYS QD
 &rst iat= 230, -1, r1= 0, r2= 0, r3= 3.584, r4= 4.144,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 238,239,
&end
#
#  15  LYS HA  15  LYS QE
 &rst iat= 230, -1, r1= 0, r2= 0, r3= 4.704, r4= 5.264,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 241,242,
&end
#
#  15  LYS QB  15  LYS QE
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.39744, r4= 7.02464,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 232,233,
igr2= 241,242,
&end
#
#  15  LYS QG  15  LYS QD
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 3.63776, r4= 4.26496,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 235,236,
igr2= 238,239,
&end
#
#  15  LYS QG  15  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= 235,236,
igr2= 241,242,
&end
#
#  15  LYS QD  15  LYS QE
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 3.38688, r4= 4.01408,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 238,239,
igr2= 241,242,
&end
#
#  15  LYS H  16  SER H
 &rst iat= 228,250, r1= 0, r2= 0, r3= 4.2, r4= 4.7,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  15  LYS H  16  SER QB
 &rst iat= 228, -1, r1= 0, r2= 0, r3= 5.936, r4= 6.496,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 254,255,
&end
#
#  15  LYS QB  16  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= 232,233,
igr2= 254,255,
&end
#
#  15  LYS QG  16  SER H
 &rst iat= -1,250, r1= 0, r2= 0, r3= 6.16, r4= 6.72,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 235,236,
&end
#
#  16  SER QB  18  ARG QG
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.26848, r4= 5.89568,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 254,255,
igr2= 275,276,
&end
#
#  16  SER QB  18  ARG QD
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.02112, r4= 6.64832,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 254,255,
igr2= 278,279,
&end
#
#  16  SER H  30  LYS HA
 &rst iat= 250,449, r1= 0, r2= 0, r3= 5.2, r4= 5.7,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  16  SER H  30  LYS QG
 &rst iat= 250, -1, r1= 0, r2= 0, r3= 6.048, r4= 6.608,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 454,455,
&end
#
#  16  SER HA  30  LYS H
 &rst iat= 252,447, r1= 0, r2= 0, r3= 5, r4= 5.5,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  16  SER HA  30  LYS HA
 &rst iat= 252,449, r1= 0, r2= 0, r3= 4.7, r4= 5.2,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  16  SER HA  30  LYS QB
 &rst iat= 252, -1, r1= 0, r2= 0, r3= 4.816, r4= 5.376,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 451,452,
&end
#
#  16  SER HA  30  LYS QG
 &rst iat= 252, -1, r1= 0, r2= 0, r3= 4.48, r4= 5.04,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 454,455,
&end
#
#  16  SER HA  30  LYS QD
 &rst iat= 252, -1, r1= 0, r2= 0, r3= 4.48, r4= 5.04,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 457,458,
&end
#
#  16  SER HA  30  LYS QE
 &rst iat= 252, -1, r1= 0, r2= 0, r3= 5.04, r4= 5.6,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 460,461,
&end
#
#  16  SER H  31  ASP H
 &rst iat= 250,469, r1= 0, r2= 0, r3= 5.4, r4= 5.9,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  17  GLY QA  18  ARG HA
 &rst iat= -1,270, r1= 0, r2= 0, r3= 5.264, r4= 5.824,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 263,264,
&end
#
#  17  GLY QA  29  PRO HA
 &rst iat= -1,443, r1= 0, r2= 0, r3= 4.704, r4= 5.264,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 263,264,
&end
#
#  17  GLY QA  30  LYS H
 &rst iat= -1,447, r1= 0, r2= 0, r3= 4.592, r4= 5.152,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 263,264,
&end
#
#  17  GLY QA  30  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= 263,264,
igr2= 451,452,
&end
#
#  17  GLY QA  30  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= 263,264,
igr2= 457,458,
&end
#
#  18  ARG H  18  ARG QB
 &rst iat= 268, -1, r1= 0, r2= 0, r3= 4.48, r4= 5.04,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 272,273,
&end
#
#  18  ARG H  18  ARG QG
 &rst iat= 268, -1, r1= 0, r2= 0, r3= 5.264, r4= 5.824,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 275,276,
&end
#
#  18  ARG HA  18  ARG QG
 &rst iat= 270, -1, r1= 0, r2= 0, r3= 3.92, r4= 4.48,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 275,276,
&end
#
#  18  ARG HA  18  ARG QD
 &rst iat= 270, -1, r1= 0, r2= 0, r3= 3.92, r4= 4.48,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 278,279,
&end
#
#  18  ARG QB  18  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= 272,273,
igr2= 278,279,
&end
#
#  18  ARG QG  18  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= 275,276,
igr2= 278,279,
&end
#
#  18  ARG H  19  ALA H
 &rst iat= 268,292, r1= 0, r2= 0, r3= 3.9, r4= 4.4,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  18  ARG H  19  ALA QB
 &rst iat= 268, -1, r1= 0, r2= 0, r3= 5.64, r4= 6.24,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 296,297,298,
&end
#
#  18  ARG QB  19  ALA H
 &rst iat= -1,292, r1= 0, r2= 0, r3= 5.04, r4= 5.6,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 272,273,
&end
#
#  18  ARG QG  19  ALA H
 &rst iat= -1,292, r1= 0, r2= 0, r3= 6.16, r4= 6.72,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 275,276,
&end
#
#  18  ARG QD  19  ALA H
 &rst iat= -1,292, r1= 0, r2= 0, r3= 6.16, r4= 6.72,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 278,279,
&end
#
#  19  ALA H  19  ALA QB
 &rst iat= 292, -1, r1= 0, r2= 0, r3= 3.84, r4= 4.44,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 296,297,298,
&end
#
#  19  ALA H  20  SER H
 &rst iat= 292,302, r1= 0, r2= 0, r3= 4.6, r4= 5.1,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  19  ALA HA  20  SER H
 &rst iat= 294,302, r1= 0, r2= 0, r3= 3, r4= 3.5,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  19  ALA QB  20  SER H
 &rst iat= -1,302, r1= 0, r2= 0, r3= 4.08, r4= 4.68,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 296,297,298,
&end
#
#  19  ALA H  28  ILE HB
 &rst iat= 292,418, r1= 0, r2= 0, r3= 5.5, r4= 6,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  19  ALA HA  28  ILE QD1
 &rst iat= 294, -1, r1= 0, r2= 0, r3= 5.64, r4= 6.24,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 427,428,429,
&end
#
#  19  ALA QB  28  ILE HB
 &rst iat= -1,418, r1= 0, r2= 0, r3= 5.76, r4= 6.36,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 296,297,298,
&end
#
#  19  ALA QB  28  ILE QG2
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.624, r4= 7.344,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 296,297,298,
igr2= 420,421,422,
&end
#
#  19  ALA QB  28  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= 296,297,298,
igr2= 427,428,429,
&end
#
#  19  ALA HA  51  TRP HD1
 &rst iat= 294,789, r1= 0, r2= 0, r3= 5.5, r4= 6,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  19  ALA QB  51  TRP H
 &rst iat= -1,781, r1= 0, r2= 0, r3= 5.4, r4= 6,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 296,297,298,
&end
#
#  19  ALA QB  51  TRP QB
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.5104, r4= 6.1824,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 296,297,298,
igr2= 785,786,
&end
#
#  19  ALA QB  51  TRP HD1
 &rst iat= -1,789, r1= 0, r2= 0, r3= 4.44, r4= 5.04,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 296,297,298,
&end
#
#  19  ALA QB  51  TRP HE1
 &rst iat= -1,791, r1= 0, r2= 0, r3= 5.64, r4= 6.24,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 296,297,298,
&end
#
#  19  ALA QB  51  TRP HZ2
 &rst iat= -1,794, r1= 0, r2= 0, r3= 6.6, r4= 7.2,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 296,297,298,
&end
#
#  20  SER H  20  SER QB
 &rst iat= 302, -1, r1= 0, r2= 0, r3= 3.696, r4= 4.256,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 306,307,
&end
#
#  20  SER HA  21  CYS H
 &rst iat= 304,313, r1= 0, r2= 0, r3= 3.2, r4= 3.7,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  20  SER HA  21  CYS QB
 &rst iat= 304, -1, r1= 0, r2= 0, r3= 5.376, r4= 5.936,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 318,317,
&end
#
#  20  SER QB  21  CYS H
 &rst iat= -1,313, r1= 0, r2= 0, r3= 3.584, r4= 4.144,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 306,307,
&end
#
#  20  SER QB  21  CYS QB
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.02112, r4= 6.64832,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 306,307,
igr2= 318,317,
&end
#
#  20  SER H  22  LYS QG
 &rst iat= 302, -1, r1= 0, r2= 0, r3= 5.712, r4= 6.272,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 330,331,
&end
#
#  20  SER QB  22  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= 306,307,
igr2= 333,334,
&end
#
#  20  SER HA  27  SER HA
 &rst iat= 304,405, r1= 0, r2= 0, r3= 3.4, r4= 3.9,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  20  SER HA  27  SER QB
 &rst iat= 304, -1, r1= 0, r2= 0, r3= 4.704, r4= 5.264,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 407,408,
&end
#
#  20  SER QB  27  SER HA
 &rst iat= -1,405, r1= 0, r2= 0, r3= 4.48, r4= 5.04,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 306,307,
&end
#
#  20  SER QB  27  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= 306,307,
igr2= 407,408,
&end
#
#  20  SER H  28  ILE HB
 &rst iat= 302,418, r1= 0, r2= 0, r3= 5.1, r4= 5.6,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  20  SER H  28  ILE QD1
 &rst iat= 302, -1, r1= 0, r2= 0, r3= 6.6, r4= 7.2,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 427,428,429,
&end
#
#  20  SER HA  28  ILE H
 &rst iat= 304,414, r1= 0, r2= 0, r3= 3.7, r4= 4.2,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  20  SER HA  28  ILE QG1
 &rst iat= 304, -1, r1= 0, r2= 0, r3= 5.04, r4= 5.6,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 424,425,
&end
#
#  20  SER HA  28  ILE QD1
 &rst iat= 304, -1, r1= 0, r2= 0, r3= 5.76, r4= 6.36,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 427,428,429,
&end
#
#  20  SER QB  28  ILE H
 &rst iat= -1,414, r1= 0, r2= 0, r3= 6.16, r4= 6.72,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 306,307,
&end
#
#  20  SER QB  28  ILE QG1
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.89568, r4= 6.52288,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 306,307,
igr2= 424,425,
&end
#
#  20  SER QB  28  ILE QD1
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.8544, r4= 7.5264,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 306,307,
igr2= 427,428,429,
&end
#
#  20  SER H  51  TRP H
 &rst iat= 302,781, r1= 0, r2= 0, r3= 4.9, r4= 5.4,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  20  SER H  51  TRP HD1
 &rst iat= 302,789, r1= 0, r2= 0, r3= 4.9, r4= 5.4,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  21  CYS H  21  CYS QB
 &rst iat= 313, -1, r1= 0, r2= 0, r3= 3.92, r4= 4.48,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 318,317,
&end
#
#  21  CYS H  22  LYS H
 &rst iat= 313,323, r1= 0, r2= 0, r3= 5.1, r4= 5.6,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  21  CYS HA  22  LYS H
 &rst iat= 315,323, r1= 0, r2= 0, r3= 3.3, r4= 3.8,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  21  CYS HA  22  LYS QB
 &rst iat= 315, -1, r1= 0, r2= 0, r3= 5.488, r4= 6.048,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 327,328,
&end
#
#  21  CYS HA  22  LYS QG
 &rst iat= 315, -1, r1= 0, r2= 0, r3= 4.928, r4= 5.488,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 330,331,
&end
#
#  21  CYS QB  22  LYS H
 &rst iat= -1,323, r1= 0, r2= 0, r3= 5.488, r4= 6.048,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 318,317,
&end
#
#  21  CYS QB  22  LYS HA
 &rst iat= -1,325, r1= 0, r2= 0, r3= 5.712, r4= 6.272,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 318,317,
&end
#
#  21  CYS HA  23  LYS H
 &rst iat= 315,345, r1= 0, r2= 0, r3= 4.8, r4= 5.3,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  21  CYS HA  24  CYS H
 &rst iat= 315,367, r1= 0, r2= 0, r3= 5.2, r4= 5.7,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  21  CYS QB  24  CYS H
 &rst iat= -1,367, r1= 0, r2= 0, r3= 4.592, r4= 5.152,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 318,317,
&end
#
#  21  CYS H  25  SER HA
 &rst iat= 313,379, r1= 0, r2= 0, r3= 5, r4= 5.5,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  21  CYS QB  25  SER H
 &rst iat= -1,377, r1= 0, r2= 0, r3= 4.48, r4= 5.04,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 318,317,
&end
#
#  21  CYS QB  25  SER HA
 &rst iat= -1,379, r1= 0, r2= 0, r3= 4.368, r4= 4.928,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 318,317,
&end
#
#  21  CYS H  26  GLU H
 &rst iat= 313,388, r1= 0, r2= 0, r3= 3.9, r4= 4.4,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  21  CYS H  26  GLU QB
 &rst iat= 313, -1, r1= 0, r2= 0, r3= 5.376, r4= 5.936,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 392,393,
&end
#
#  21  CYS QB  26  GLU H
 &rst iat= -1,388, r1= 0, r2= 0, r3= 4.48, r4= 5.04,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 318,317,
&end
#
#  21  CYS QB  26  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= 318,317,
igr2= 392,393,
&end
#
#  21  CYS H  27  SER HA
 &rst iat= 313,405, r1= 0, r2= 0, r3= 4.2, r4= 4.7,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  21  CYS H  27  SER QB
 &rst iat= 313, -1, r1= 0, r2= 0, r3= 4.928, r4= 5.488,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 407,408,
&end
#
#  21  CYS QB  27  SER H
 &rst iat= -1,403, r1= 0, r2= 0, r3= 5.376, r4= 5.936,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 318,317,
&end
#
#  21  CYS QB  27  SER HA
 &rst iat= -1,405, r1= 0, r2= 0, r3= 5.488, r4= 6.048,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 318,317,
&end
#
#  21  CYS QB  27  SER QB
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.8992, r4= 7.5264,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 318,317,
igr2= 407,408,
&end
#
#  21  CYS H  28  ILE H
 &rst iat= 313,414, r1= 0, r2= 0, r3= 4.3, r4= 4.8,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  21  CYS H  28  ILE QG1
 &rst iat= 313, -1, r1= 0, r2= 0, r3= 5.152, r4= 5.712,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 424,425,
&end
#
#  21  CYS H  28  ILE QD1
 &rst iat= 313, -1, r1= 0, r2= 0, r3= 5.4, r4= 6,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 427,428,429,
&end
#
#  21  CYS HA  28  ILE QG1
 &rst iat= 315, -1, r1= 0, r2= 0, r3= 5.152, r4= 5.712,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 424,425,
&end
#
#  21  CYS HA  28  ILE QG2
 &rst iat= 315, -1, r1= 0, r2= 0, r3= 6.48, r4= 7.08,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 420,421,422,
&end
#
#  21  CYS HA  28  ILE QD1
 &rst iat= 315, -1, r1= 0, r2= 0, r3= 4.2, r4= 4.8,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 427,428,429,
&end
#
#  21  CYS QB  28  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= 318,317,
igr2= 424,425,
&end
#
#  21  CYS QB  28  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= 318,317,
igr2= 420,421,422,
&end
#
#  21  CYS QB  28  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= 318,317,
igr2= 427,428,429,
&end
#
#  21  CYS HA  52  TYR HA
 &rst iat= 315,807, r1= 0, r2= 0, r3= 3.9, r4= 4.4,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  21  CYS HA  52  TYR QD
 &rst iat= 315, -1, r1= 0, r2= 0, r3= 5.712, r4= 6.272,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 813,822,
&end
#
#  21  CYS QB  52  TYR HA
 &rst iat= -1,807, r1= 0, r2= 0, r3= 5.152, r4= 5.712,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 318,317,
&end
#
#  21  CYS HA  53  HIS H
 &rst iat= 315,826, r1= 0, r2= 0, r3= 4.9, r4= 5.4,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  21  CYS QB  53  HIS H
 &rst iat= -1,826, r1= 0, r2= 0, r3= 4.592, r4= 5.152,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 318,317,
&end
#
#  21  CYS QB  53  HIS HE1
 &rst iat= -1,835, r1= 0, r2= 0, r3= 4.704, r4= 5.264,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 318,317,
&end
#
#  22  LYS H  22  LYS QB
 &rst iat= 323, -1, r1= 0, r2= 0, r3= 4.144, r4= 4.704,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 327,328,
&end
#
#  22  LYS H  22  LYS QG
 &rst iat= 323, -1, r1= 0, r2= 0, r3= 4.144, r4= 4.704,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 330,331,
&end
#
#  22  LYS H  22  LYS QD
 &rst iat= 323, -1, r1= 0, r2= 0, r3= 4.816, r4= 5.376,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 333,334,
&end
#
#  22  LYS HA  22  LYS QG
 &rst iat= 325, -1, r1= 0, r2= 0, r3= 4.368, r4= 4.928,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 330,331,
&end
#
#  22  LYS HA  22  LYS QD
 &rst iat= 325, -1, r1= 0, r2= 0, r3= 3.472, r4= 4.032,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 333,334,
&end
#
#  22  LYS HA  22  LYS QE
 &rst iat= 325, -1, r1= 0, r2= 0, r3= 5.04, r4= 5.6,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 336,337,
&end
#
#  22  LYS QB  22  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= 327,328,
igr2= 333,334,
&end
#
#  22  LYS QB  22  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= 327,328,
igr2= 336,337,
&end
#
#  22  LYS QG  22  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= 330,331,
igr2= 333,334,
&end
#
#  22  LYS QG  22  LYS QE
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.39392, r4= 6.02112,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 330,331,
igr2= 336,337,
&end
#
#  22  LYS H  23  LYS H
 &rst iat= 323,345, r1= 0, r2= 0, r3= 3.9, r4= 4.4,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  22  LYS HA  23  LYS HA
 &rst iat= 325,347, r1= 0, r2= 0, r3= 4.7, r4= 5.2,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  22  LYS QB  23  LYS H
 &rst iat= -1,345, r1= 0, r2= 0, r3= 5.04, r4= 5.6,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 327,328,
&end
#
#  22  LYS QB  23  LYS HA
 &rst iat= -1,347, r1= 0, r2= 0, r3= 5.824, r4= 6.384,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 327,328,
&end
#
#  22  LYS QG  23  LYS H
 &rst iat= -1,345, r1= 0, r2= 0, r3= 5.6, r4= 6.16,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 330,331,
&end
#
#  22  LYS QD  23  LYS H
 &rst iat= -1,345, r1= 0, r2= 0, r3= 5.6, r4= 6.16,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 333,334,
&end
#
#  22  LYS HA  24  CYS H
 &rst iat= 325,367, r1= 0, r2= 0, r3= 5.2, r4= 5.7,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  22  LYS H  25  SER H
 &rst iat= 323,377, r1= 0, r2= 0, r3= 5.4, r4= 5.9,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  22  LYS HA  25  SER H
 &rst iat= 325,377, r1= 0, r2= 0, r3= 4.5, r4= 5,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  22  LYS HA  25  SER HA
 &rst iat= 325,379, r1= 0, r2= 0, r3= 4.2, r4= 4.7,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  22  LYS H  28  ILE QD1
 &rst iat= 323, -1, r1= 0, r2= 0, r3= 4.92, r4= 5.52,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 427,428,429,
&end
#
#  22  LYS QB  50  HIS HA
 &rst iat= -1,766, r1= 0, r2= 0, r3= 5.264, r4= 5.824,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 327,328,
&end
#
#  22  LYS QB  50  HIS QB
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.26848, r4= 5.89568,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 327,328,
igr2= 768,769,
&end
#
#  22  LYS QB  50  HIS HE1
 &rst iat= -1,773, r1= 0, r2= 0, r3= 6.048, r4= 6.608,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 327,328,
&end
#
#  22  LYS QG  50  HIS HA
 &rst iat= -1,766, r1= 0, r2= 0, r3= 5.264, r4= 5.824,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 330,331,
&end
#
#  22  LYS QG  50  HIS HD2
 &rst iat= -1,777, r1= 0, r2= 0, r3= 6.16, r4= 6.72,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 330,331,
&end
#
#  22  LYS QD  50  HIS HD2
 &rst iat= -1,777, r1= 0, r2= 0, r3= 5.712, r4= 6.272,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 333,334,
&end
#
#  22  LYS QE  50  HIS QB
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.272, r4= 6.8992,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 336,337,
igr2= 768,769,
&end
#
#  22  LYS QE  50  HIS HD2
 &rst iat= -1,777, r1= 0, r2= 0, r3= 5.264, r4= 5.824,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 336,337,
&end
#
#  22  LYS QE  50  HIS HE1
 &rst iat= -1,773, r1= 0, r2= 0, r3= 5.488, r4= 6.048,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 336,337,
&end
#
#  22  LYS H  51  TRP H
 &rst iat= 323,781, r1= 0, r2= 0, r3= 5.5, r4= 6,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  22  LYS QG  51  TRP H
 &rst iat= -1,781, r1= 0, r2= 0, r3= 5.264, r4= 5.824,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 330,331,
&end
#
#  22  LYS QD  51  TRP H
 &rst iat= -1,781, r1= 0, r2= 0, r3= 5.6, r4= 6.16,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 333,334,
&end
#
#  22  LYS H  52  TYR HA
 &rst iat= 323,807, r1= 0, r2= 0, r3= 4.2, r4= 4.7,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  22  LYS H  52  TYR QD
 &rst iat= 323, -1, r1= 0, r2= 0, r3= 6.16, r4= 6.72,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 813,822,
&end
#
#  22  LYS QB  52  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= 327,328,
igr2= 815,820,
&end
#
#  22  LYS QG  52  TYR H
 &rst iat= -1,805, r1= 0, r2= 0, r3= 6.16, r4= 6.72,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 330,331,
&end
#
#  22  LYS QG  52  TYR QB
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.6448, r4= 6.272,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 330,331,
igr2= 809,810,
&end
#
#  23  LYS H  23  LYS QB
 &rst iat= 345, -1, r1= 0, r2= 0, r3= 4.144, r4= 4.704,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 349,350,
&end
#
#  23  LYS H  23  LYS QG
 &rst iat= 345, -1, r1= 0, r2= 0, r3= 4.592, r4= 5.152,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 352,353,
&end
#
#  23  LYS H  23  LYS QD
 &rst iat= 345, -1, r1= 0, r2= 0, r3= 5.824, r4= 6.384,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 355,356,
&end
#
#  23  LYS HA  23  LYS QG
 &rst iat= 347, -1, r1= 0, r2= 0, r3= 3.92, r4= 4.48,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 352,353,
&end
#
#  23  LYS HA  23  LYS QD
 &rst iat= 347, -1, r1= 0, r2= 0, r3= 4.256, r4= 4.816,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 355,356,
&end
#
#  23  LYS HA  23  LYS QE
 &rst iat= 347, -1, r1= 0, r2= 0, r3= 5.6, r4= 6.16,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 358,359,
&end
#
#  23  LYS QB  23  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= 349,350,
igr2= 358,359,
&end
#
#  23  LYS QG  23  LYS QE
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 3.88864, r4= 4.51584,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 352,353,
igr2= 358,359,
&end
#
#  23  LYS H  24  CYS H
 &rst iat= 345,367, r1= 0, r2= 0, r3= 3.4, r4= 3.9,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  23  LYS H  24  CYS QB
 &rst iat= 345, -1, r1= 0, r2= 0, r3= 6.048, r4= 6.608,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 372,371,
&end
#
#  23  LYS QB  24  CYS H
 &rst iat= -1,367, r1= 0, r2= 0, r3= 4.256, r4= 4.816,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 349,350,
&end
#
#  23  LYS QG  24  CYS H
 &rst iat= -1,367, r1= 0, r2= 0, r3= 4.48, r4= 5.04,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 352,353,
&end
#
#  23  LYS QG  24  CYS HA
 &rst iat= -1,369, r1= 0, r2= 0, r3= 4.816, r4= 5.376,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 352,353,
&end
#
#  23  LYS QG  24  CYS QB
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.77024, r4= 6.39744,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 352,353,
igr2= 372,371,
&end
#
#  23  LYS QD  24  CYS H
 &rst iat= -1,367, r1= 0, r2= 0, r3= 6.16, r4= 6.72,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 355,356,
&end
#
#  23  LYS QE  24  CYS H
 &rst iat= -1,367, r1= 0, r2= 0, r3= 6.16, r4= 6.72,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 358,359,
&end
#
#  23  LYS H  25  SER H
 &rst iat= 345,377, r1= 0, r2= 0, r3= 4.8, r4= 5.3,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  23  LYS H  52  TYR QB
 &rst iat= 345, -1, r1= 0, r2= 0, r3= 5.824, r4= 6.384,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 809,810,
&end
#
#  23  LYS H  52  TYR QD
 &rst iat= 345, -1, r1= 0, r2= 0, r3= 4.592, r4= 5.152,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 813,822,
&end
#
#  23  LYS HA  52  TYR QD
 &rst iat= 347, -1, r1= 0, r2= 0, r3= 5.6, r4= 6.16,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 813,822,
&end
#
#  23  LYS QB  52  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= 349,350,
igr2= 809,810,
&end
#
#  23  LYS QB  52  TYR QD
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.26848, r4= 5.89568,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 349,350,
igr2= 813,822,
&end
#
#  23  LYS QB  52  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= 349,350,
igr2= 815,820,
&end
#
#  23  LYS QG  52  TYR QD
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.89568, r4= 6.52288,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 352,353,
igr2= 813,822,
&end
#
#  23  LYS H  56  CYS QB
 &rst iat= 345, -1, r1= 0, r2= 0, r3= 5.488, r4= 6.048,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 879,878,
&end
#
#  23  LYS HA  56  CYS QB
 &rst iat= 347, -1, r1= 0, r2= 0, r3= 5.936, r4= 6.496,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 879,878,
&end
#
#  23  LYS QB  56  CYS HA
 &rst iat= -1,876, r1= 0, r2= 0, r3= 5.376, r4= 5.936,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 349,350,
&end
#
#  23  LYS QB  56  CYS QB
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.51936, r4= 6.14656,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 349,350,
igr2= 879,878,
&end
#
#  23  LYS QG  56  CYS QB
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.39392, r4= 6.02112,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 352,353,
igr2= 879,878,
&end
#
#  23  LYS QG  57  PHE H
 &rst iat= -1,884, r1= 0, r2= 0, r3= 6.048, r4= 6.608,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 352,353,
&end
#
#  23  LYS QE  59  LYS H
 &rst iat= -1,928, r1= 0, r2= 0, r3= 5.824, r4= 6.384,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 358,359,
&end
#
#  23  LYS QE  59  LYS HA
 &rst iat= -1,930, r1= 0, r2= 0, r3= 4.928, r4= 5.488,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 358,359,
&end
#
#  23  LYS QE  59  LYS QB
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 4.13952, r4= 4.76672,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 358,359,
igr2= 932,933,
&end
#
#  23  LYS QE  59  LYS QD
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.51936, r4= 6.14656,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 358,359,
igr2= 938,939,
&end
#
#  23  LYS HA  60  VAL QG
 &rst iat= 347, -1, r1= 0, r2= 0, r3= 7.02, r4= 7.695,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 956,957,958,960,961,962,
&end
#
#  23  LYS QB  60  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= 349,350,
igr2= 956,957,958,960,961,962,
&end
#
#  23  LYS QG  60  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= 352,353,
igr2= 956,957,958,960,961,962,
&end
#
#  23  LYS QD  60  VAL HA
 &rst iat= -1,952, r1= 0, r2= 0, r3= 5.04, r4= 5.6,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 355,356,
&end
#
#  23  LYS QD  60  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= 355,356,
igr2= 956,957,958,960,961,962,
&end
#
#  23  LYS QE  60  VAL H
 &rst iat= -1,950, r1= 0, r2= 0, r3= 5.488, r4= 6.048,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 358,359,
&end
#
#  23  LYS QE  60  VAL HA
 &rst iat= -1,952, r1= 0, r2= 0, r3= 4.256, r4= 4.816,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 358,359,
&end
#
#  23  LYS QE  60  VAL HB
 &rst iat= -1,954, r1= 0, r2= 0, r3= 5.824, r4= 6.384,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 358,359,
&end
#
#  23  LYS QE  60  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= 358,359,
igr2= 956,957,958,960,961,962,
&end
#
#  24  CYS H  24  CYS QB
 &rst iat= 367, -1, r1= 0, r2= 0, r3= 4.032, r4= 4.592,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 372,371,
&end
#
#  24  CYS H  25  SER HA
 &rst iat= 367,379, r1= 0, r2= 0, r3= 4.9, r4= 5.4,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  24  CYS HA  25  SER QB
 &rst iat= 369, -1, r1= 0, r2= 0, r3= 4.928, r4= 5.488,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 381,382,
&end
#
#  24  CYS H  26  GLU H
 &rst iat= 367,388, r1= 0, r2= 0, r3= 5.2, r4= 5.7,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  24  CYS H  26  GLU QG
 &rst iat= 367, -1, r1= 0, r2= 0, r3= 6.16, r4= 6.72,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 395,396,
&end
#
#  24  CYS QB  26  GLU QG
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.272, r4= 6.8992,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 372,371,
igr2= 395,396,
&end
#
#  24  CYS H  52  TYR QB
 &rst iat= 367, -1, r1= 0, r2= 0, r3= 5.04, r4= 5.6,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 809,810,
&end
#
#  24  CYS H  56  CYS QB
 &rst iat= 367, -1, r1= 0, r2= 0, r3= 5.936, r4= 6.496,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 879,878,
&end
#
#  25  SER H  25  SER HA
 &rst iat= 377,379, r1= 0, r2= 0, r3= 2.9, r4= 3.4,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  25  SER H  25  SER QB
 &rst iat= 377, -1, r1= 0, r2= 0, r3= 4.256, r4= 4.816,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 381,382,
&end
#
#  25  SER H  26  GLU H
 &rst iat= 377,388, r1= 0, r2= 0, r3= 3.7, r4= 4.2,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  25  SER HA  26  GLU QG
 &rst iat= 379, -1, r1= 0, r2= 0, r3= 5.712, r4= 6.272,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 395,396,
&end
#
#  25  SER QB  26  GLU H
 &rst iat= -1,388, r1= 0, r2= 0, r3= 5.04, r4= 5.6,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 381,382,
&end
#
#  26  GLU H  26  GLU QB
 &rst iat= 388, -1, r1= 0, r2= 0, r3= 4.144, r4= 4.704,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 392,393,
&end
#
#  26  GLU H  26  GLU QG
 &rst iat= 388, -1, r1= 0, r2= 0, r3= 3.92, r4= 4.48,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 395,396,
&end
#
#  26  GLU HA  26  GLU QG
 &rst iat= 390, -1, r1= 0, r2= 0, r3= 3.92, r4= 4.48,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 395,396,
&end
#
#  26  GLU H  27  SER H
 &rst iat= 388,403, r1= 0, r2= 0, r3= 4.5, r4= 5,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  26  GLU HA  27  SER H
 &rst iat= 390,403, r1= 0, r2= 0, r3= 3, r4= 3.5,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  26  GLU QB  27  SER H
 &rst iat= -1,403, r1= 0, r2= 0, r3= 3.808, r4= 4.368,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 392,393,
&end
#
#  26  GLU QB  27  SER HA
 &rst iat= -1,405, r1= 0, r2= 0, r3= 5.488, r4= 6.048,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 392,393,
&end
#
#  26  GLU QB  27  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= 392,393,
igr2= 407,408,
&end
#
#  26  GLU QB  53  HIS HE1
 &rst iat= -1,835, r1= 0, r2= 0, r3= 4.032, r4= 4.592,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 392,393,
&end
#
#  26  GLU QG  53  HIS HE1
 &rst iat= -1,835, r1= 0, r2= 0, r3= 4.704, r4= 5.264,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 395,396,
&end
#
#  27  SER H  27  SER QB
 &rst iat= 403, -1, r1= 0, r2= 0, r3= 3.136, r4= 3.696,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 407,408,
&end
#
#  27  SER HA  27  SER QB
 &rst iat= 405, -1, r1= 0, r2= 0, r3= 3.36, r4= 3.92,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 407,408,
&end
#
#  27  SER H  28  ILE H
 &rst iat= 403,414, r1= 0, r2= 0, r3= 4.8, r4= 5.3,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  27  SER H  28  ILE HA
 &rst iat= 403,416, r1= 0, r2= 0, r3= 4.9, r4= 5.4,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  27  SER HA  28  ILE H
 &rst iat= 405,414, r1= 0, r2= 0, r3= 3.1, r4= 3.6,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  27  SER HA  28  ILE HB
 &rst iat= 405,418, r1= 0, r2= 0, r3= 4.9, r4= 5.4,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  27  SER HA  28  ILE QG1
 &rst iat= 405, -1, r1= 0, r2= 0, r3= 5.264, r4= 5.824,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 424,425,
&end
#
#  27  SER QB  28  ILE H
 &rst iat= -1,414, r1= 0, r2= 0, r3= 3.696, r4= 4.256,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 407,408,
&end
#
#  27  SER QB  28  ILE HA
 &rst iat= -1,416, r1= 0, r2= 0, r3= 5.264, r4= 5.824,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 407,408,
&end
#
#  27  SER QB  28  ILE QG1
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.14656, r4= 6.77376,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 407,408,
igr2= 424,425,
&end
#
#  27  SER QB  102  ILE HA
 &rst iat= -1,1573, r1= 0, r2= 0, r3= 5.152, r4= 5.712,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 407,408,
&end
#
#  27  SER QB  102  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= 407,408,
igr2= 1577,1578,1579,
&end
#
#  27  SER QB  102  ILE QD1
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.5856, r4= 7.2576,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 407,408,
igr2= 1584,1585,1586,
&end
#
#  27  SER QB  103  GLY H
 &rst iat= -1,1590, r1= 0, r2= 0, r3= 6.048, r4= 6.608,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 407,408,
&end
#
#  27  SER QB  103  GLY QA
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 4.89216, r4= 5.51936,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 407,408,
igr2= 1592,1593,
&end
#
#  28  ILE H  28  ILE HB
 &rst iat= 414,418, r1= 0, r2= 0, r3= 3.9, r4= 4.4,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  28  ILE H  28  ILE QG1
 &rst iat= 414, -1, r1= 0, r2= 0, r3= 4.592, r4= 5.152,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 424,425,
&end
#
#  28  ILE H  28  ILE QG2
 &rst iat= 414, -1, r1= 0, r2= 0, r3= 4.92, r4= 5.52,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 420,421,422,
&end
#
#  28  ILE H  28  ILE QD1
 &rst iat= 414, -1, r1= 0, r2= 0, r3= 5.04, r4= 5.64,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 427,428,429,
&end
#
#  28  ILE HA  28  ILE QG2
 &rst iat= 416, -1, r1= 0, r2= 0, r3= 4.2, r4= 4.8,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 420,421,422,
&end
#
#  28  ILE HB  28  ILE QD1
 &rst iat= 418, -1, r1= 0, r2= 0, r3= 4.44, r4= 5.04,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 427,428,429,
&end
#
#  28  ILE QG2  28  ILE QG1
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 4.8384, r4= 5.5104,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 420,421,422,
igr2= 424,425,
&end
#
#  28  ILE QG2  28  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= 420,421,422,
igr2= 427,428,429,
&end
#
#  28  ILE H  29  PRO QD
 &rst iat= 414, -1, r1= 0, r2= 0, r3= 5.6, r4= 6.16,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 434,435,
&end
#
#  28  ILE HA  29  PRO QG
 &rst iat= 416, -1, r1= 0, r2= 0, r3= 4.816, r4= 5.376,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 437,438,
&end
#
#  28  ILE QG2  29  PRO QB
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 7.392, r4= 8.064,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 420,421,422,
igr2= 440,441,
&end
#
#  28  ILE QG2  29  PRO QG
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.4512, r4= 7.1232,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 420,421,422,
igr2= 437,438,
&end
#
#  28  ILE QG2  29  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= 420,421,422,
igr2= 434,435,
&end
#
#  28  ILE QG2  32  SER QB
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.72, r4= 7.392,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 420,421,422,
igr2= 485,486,
&end
#
#  28  ILE QG2  33  LEU H
 &rst iat= -1,492, r1= 0, r2= 0, r3= 6.12, r4= 6.72,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 420,421,422,
&end
#
#  28  ILE QG2  34  ARG H
 &rst iat= -1,511, r1= 0, r2= 0, r3= 6.6, r4= 7.2,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 420,421,422,
&end
#
#  28  ILE QG2  34  ARG HA
 &rst iat= -1,513, r1= 0, r2= 0, r3= 4.68, r4= 5.28,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 420,421,422,
&end
#
#  28  ILE QG2  34  ARG QB
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 4.9728, r4= 5.6448,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 420,421,422,
igr2= 515,516,
&end
#
#  28  ILE QG2  34  ARG QG
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.9888, r4= 7.6608,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 420,421,422,
igr2= 518,519,
&end
#
#  28  ILE QG2  34  ARG QD
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.376, r4= 6.048,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 420,421,422,
igr2= 521,522,
&end
#
#  28  ILE QD1  34  ARG HA
 &rst iat= -1,513, r1= 0, r2= 0, r3= 5.4, r4= 6,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 427,428,429,
&end
#
#  28  ILE QD1  34  ARG QB
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.5104, r4= 6.1824,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 427,428,429,
igr2= 515,516,
&end
#
#  28  ILE QD1  34  ARG QD
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.9888, r4= 7.6608,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 427,428,429,
igr2= 521,522,
&end
#
#  28  ILE QG2  35  MET H
 &rst iat= -1,535, r1= 0, r2= 0, r3= 6.6, r4= 7.2,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 420,421,422,
&end
#
#  28  ILE QD1  35  MET H
 &rst iat= -1,535, r1= 0, r2= 0, r3= 5.88, r4= 6.48,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 427,428,429,
&end
#
#  28  ILE QG2  51  TRP HE3
 &rst iat= -1,800, r1= 0, r2= 0, r3= 5.88, r4= 6.48,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 420,421,422,
&end
#
#  28  ILE QD1  51  TRP H
 &rst iat= -1,781, r1= 0, r2= 0, r3= 6.36, r4= 6.96,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 427,428,429,
&end
#
#  28  ILE QD1  51  TRP HA
 &rst iat= -1,783, r1= 0, r2= 0, r3= 6, r4= 6.6,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 427,428,429,
&end
#
#  28  ILE QD1  51  TRP QB
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.2416, r4= 5.9136,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 427,428,429,
igr2= 785,786,
&end
#
#  28  ILE QD1  51  TRP HD1
 &rst iat= -1,789, r1= 0, r2= 0, r3= 5.88, r4= 6.48,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 427,428,429,
&end
#
#  28  ILE QD1  51  TRP HE3
 &rst iat= -1,800, r1= 0, r2= 0, r3= 5.28, r4= 5.88,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 427,428,429,
&end
#
#  28  ILE QG1  52  TYR H
 &rst iat= -1,805, r1= 0, r2= 0, r3= 6.048, r4= 6.608,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 424,425,
&end
#
#  28  ILE QG1  52  TYR HA
 &rst iat= -1,807, r1= 0, r2= 0, r3= 5.712, r4= 6.272,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 424,425,
&end
#
#  28  ILE QD1  52  TYR H
 &rst iat= -1,805, r1= 0, r2= 0, r3= 5.4, r4= 6,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 427,428,429,
&end
#
#  28  ILE QD1  52  TYR HA
 &rst iat= -1,807, r1= 0, r2= 0, r3= 4.92, r4= 5.52,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 427,428,429,
&end
#
#  28  ILE QD1  52  TYR QD
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 7.1232, r4= 7.7952,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 427,428,429,
igr2= 813,822,
&end
#
#  28  ILE HA  53  HIS HD2
 &rst iat= 416,839, r1= 0, r2= 0, r3= 4.7, r4= 5.2,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  28  ILE HB  53  HIS HD2
 &rst iat= 418,839, r1= 0, r2= 0, r3= 5.5, r4= 6,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  28  ILE QG1  53  HIS H
 &rst iat= -1,826, r1= 0, r2= 0, r3= 5.6, r4= 6.16,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 424,425,
&end
#
#  28  ILE QG1  53  HIS HA
 &rst iat= -1,828, r1= 0, r2= 0, r3= 5.824, r4= 6.384,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 424,425,
&end
#
#  28  ILE QG2  53  HIS HA
 &rst iat= -1,828, r1= 0, r2= 0, r3= 6.12, r4= 6.72,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 420,421,422,
&end
#
#  28  ILE QG1  53  HIS HD2
 &rst iat= -1,839, r1= 0, r2= 0, r3= 5.264, r4= 5.824,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 424,425,
&end
#
#  28  ILE QG2  53  HIS HD2
 &rst iat= -1,839, r1= 0, r2= 0, r3= 4.44, r4= 5.04,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 420,421,422,
&end
#
#  28  ILE QD1  53  HIS H
 &rst iat= -1,826, r1= 0, r2= 0, r3= 5.04, r4= 5.64,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 427,428,429,
&end
#
#  28  ILE QD1  53  HIS HA
 &rst iat= -1,828, r1= 0, r2= 0, r3= 6.12, r4= 6.72,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 427,428,429,
&end
#
#  28  ILE QD1  53  HIS HD2
 &rst iat= -1,839, r1= 0, r2= 0, r3= 5.76, r4= 6.36,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 427,428,429,
&end
#
#  28  ILE QG2  54  PHE H
 &rst iat= -1,843, r1= 0, r2= 0, r3= 6.6, r4= 7.2,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 420,421,422,
&end
#
#  29  PRO HA  30  LYS H
 &rst iat= 443,447, r1= 0, r2= 0, r3= 3, r4= 3.5,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  29  PRO HA  30  LYS HA
 &rst iat= 443,449, r1= 0, r2= 0, r3= 4.8, r4= 5.3,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  29  PRO QB  30  LYS H
 &rst iat= -1,447, r1= 0, r2= 0, r3= 4.256, r4= 4.816,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 440,441,
&end
#
#  29  PRO QG  30  LYS H
 &rst iat= -1,447, r1= 0, r2= 0, r3= 6.16, r4= 6.72,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 437,438,
&end
#
#  29  PRO QG  32  SER QB
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.51936, r4= 6.14656,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 437,438,
igr2= 485,486,
&end
#
#  29  PRO QG  53  HIS HD2
 &rst iat= -1,839, r1= 0, r2= 0, r3= 5.6, r4= 6.16,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 437,438,
&end
#
#  29  PRO QD  53  HIS HD2
 &rst iat= -1,839, r1= 0, r2= 0, r3= 4.592, r4= 5.152,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 434,435,
&end
#
#  30  LYS H  30  LYS QB
 &rst iat= 447, -1, r1= 0, r2= 0, r3= 3.92, r4= 4.48,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 451,452,
&end
#
#  30  LYS H  30  LYS QG
 &rst iat= 447, -1, r1= 0, r2= 0, r3= 5.264, r4= 5.824,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 454,455,
&end
#
#  30  LYS H  30  LYS QD
 &rst iat= 447, -1, r1= 0, r2= 0, r3= 5.04, r4= 5.6,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 457,458,
&end
#
#  30  LYS HA  30  LYS QG
 &rst iat= 449, -1, r1= 0, r2= 0, r3= 4.144, r4= 4.704,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 454,455,
&end
#
#  30  LYS HA  30  LYS QD
 &rst iat= 449, -1, r1= 0, r2= 0, r3= 5.152, r4= 5.712,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 457,458,
&end
#
#  30  LYS HA  30  LYS QE
 &rst iat= 449, -1, r1= 0, r2= 0, r3= 5.824, r4= 6.384,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 460,461,
&end
#
#  30  LYS QB  30  LYS QD
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.14304, r4= 5.77024,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 451,452,
igr2= 457,458,
&end
#
#  30  LYS QB  30  LYS QE
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.39744, r4= 7.02464,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 451,452,
igr2= 460,461,
&end
#
#  30  LYS QG  30  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= 454,455,
igr2= 457,458,
&end
#
#  30  LYS QG  30  LYS QE
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 4.89216, r4= 5.51936,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 454,455,
igr2= 460,461,
&end
#
#  30  LYS H  31  ASP H
 &rst iat= 447,469, r1= 0, r2= 0, r3= 5, r4= 5.5,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  30  LYS HA  31  ASP H
 &rst iat= 449,469, r1= 0, r2= 0, r3= 3.1, r4= 3.6,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  30  LYS HA  31  ASP HA
 &rst iat= 449,471, r1= 0, r2= 0, r3= 4.6, r4= 5.1,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  30  LYS HA  31  ASP QB
 &rst iat= 449, -1, r1= 0, r2= 0, r3= 5.6, r4= 6.16,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 473,474,
&end
#
#  30  LYS QB  31  ASP H
 &rst iat= -1,469, r1= 0, r2= 0, r3= 5.264, r4= 5.824,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 451,452,
&end
#
#  30  LYS QG  31  ASP H
 &rst iat= -1,469, r1= 0, r2= 0, r3= 4.704, r4= 5.264,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 454,455,
&end
#
#  30  LYS QG  31  ASP HA
 &rst iat= -1,471, r1= 0, r2= 0, r3= 5.488, r4= 6.048,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 454,455,
&end
#
#  31  ASP H  31  ASP QB
 &rst iat= 469, -1, r1= 0, r2= 0, r3= 4.592, r4= 5.152,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 473,474,
&end
#
#  31  ASP H  32  SER H
 &rst iat= 469,481, r1= 0, r2= 0, r3= 3.5, r4= 4,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  31  ASP QB  32  SER H
 &rst iat= -1,481, r1= 0, r2= 0, r3= 5.152, r4= 5.712,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 473,474,
&end
#
#  32  SER H  32  SER QB
 &rst iat= 481, -1, r1= 0, r2= 0, r3= 4.256, r4= 4.816,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 485,486,
&end
#
#  32  SER H  33  LEU H
 &rst iat= 481,492, r1= 0, r2= 0, r3= 4.4, r4= 4.9,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  32  SER H  33  LEU HA
 &rst iat= 481,494, r1= 0, r2= 0, r3= 4.8, r4= 5.3,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  32  SER HA  33  LEU H
 &rst iat= 483,492, r1= 0, r2= 0, r3= 3, r4= 3.5,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  32  SER HA  33  LEU QB
 &rst iat= 483, -1, r1= 0, r2= 0, r3= 5.264, r4= 5.824,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 496,497,
&end
#
#  32  SER QB  33  LEU H
 &rst iat= -1,492, r1= 0, r2= 0, r3= 4.144, r4= 4.704,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 485,486,
&end
#
#  33  LEU H  33  LEU QB
 &rst iat= 492, -1, r1= 0, r2= 0, r3= 3.808, r4= 4.368,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 496,497,
&end
#
#  33  LEU H  33  LEU HG
 &rst iat= 492,499, r1= 0, r2= 0, r3= 4.4, r4= 4.9,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  33  LEU H  33  LEU QD
 &rst iat= 492, -1, r1= 0, r2= 0, r3= 5.805, r4= 6.48,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 501,502,503,505,506,507,
&end
#
#  33  LEU HA  33  LEU QD
 &rst iat= 494, -1, r1= 0, r2= 0, r3= 4.725, r4= 5.4,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 501,502,503,505,506,507,
&end
#
#  33  LEU QB  33  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= 496,497,
igr2= 501,502,503,505,506,507,
&end
#
#  33  LEU H  34  ARG H
 &rst iat= 492,511, r1= 0, r2= 0, r3= 5.2, r4= 5.7,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  33  LEU HA  34  ARG H
 &rst iat= 494,511, r1= 0, r2= 0, r3= 3.1, r4= 3.6,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  33  LEU QB  34  ARG H
 &rst iat= -1,511, r1= 0, r2= 0, r3= 5.04, r4= 5.6,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 496,497,
&end
#
#  33  LEU QB  34  ARG HA
 &rst iat= -1,513, r1= 0, r2= 0, r3= 5.264, r4= 5.824,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 496,497,
&end
#
#  33  LEU HG  34  ARG H
 &rst iat= 499,511, r1= 0, r2= 0, r3= 5, r4= 5.5,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  33  LEU QD  34  ARG H
 &rst iat= -1,511, r1= 0, r2= 0, r3= 4.86, r4= 5.535,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 501,502,503,505,506,507,
&end
#
#  33  LEU QD  35  MET HA
 &rst iat= -1,537, r1= 0, r2= 0, r3= 7.155, r4= 7.83,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 501,502,503,505,506,507,
&end
#
#  33  LEU QD  35  MET QG
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 8.1648, r4= 8.9208,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 501,502,503,505,506,507,
igr2= 542,543,
&end
#
#  33  LEU QB  54  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= 496,497,
igr2= 847,848,
&end
#
#  33  LEU QB  54  PHE QD
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.89568, r4= 6.52288,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 496,497,
igr2= 851,859,
&end
#
#  33  LEU HG  54  PHE HA
 &rst iat= 499,845, r1= 0, r2= 0, r3= 4.8, r4= 5.3,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  33  LEU HG  54  PHE QB
 &rst iat= 499, -1, r1= 0, r2= 0, r3= 5.376, r4= 5.936,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 847,848,
&end
#
#  33  LEU HG  54  PHE QD
 &rst iat= 499, -1, r1= 0, r2= 0, r3= 6.16, r4= 6.72,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 851,859,
&end
#
#  33  LEU QD  54  PHE HA
 &rst iat= -1,845, r1= 0, r2= 0, r3= 6.75, r4= 7.425,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 501,502,503,505,506,507,
&end
#
#  33  LEU QD  54  PHE QB
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.8968, r4= 6.6528,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 501,502,503,505,506,507,
igr2= 847,848,
&end
#
#  33  LEU QD  54  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= 501,502,503,505,506,507,
igr2= 851,859,
&end
#
#  33  LEU QD  54  PHE QE
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.804, r4= 7.56,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 501,502,503,505,506,507,
igr2= 853,857,
&end
#
#  33  LEU QD  77  LEU HA
 &rst iat= -1,1201, r1= 0, r2= 0, r3= 6.21, r4= 6.885,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 501,502,503,505,506,507,
&end
#
#  33  LEU QD  77  LEU QD
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.64975, r4= 6.561,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 501,502,503,505,506,507,
igr2= 1208,1209,1210,1212,1213,1214,
&end
#
#  33  LEU QD  78  ARG H
 &rst iat= -1,1218, r1= 0, r2= 0, r3= 6.885, r4= 7.56,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 501,502,503,505,506,507,
&end
#
#  33  LEU QD  81  ASP QB
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.6528, r4= 7.4088,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 501,502,503,505,506,507,
igr2= 1282,1283,
&end
#
#  33  LEU QD  84  LYS QD
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.5016, r4= 7.2576,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 501,502,503,505,506,507,
igr2= 1334,1335,
&end
#
#  33  LEU QD  84  LYS QE
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.6528, r4= 7.4088,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 501,502,503,505,506,507,
igr2= 1337,1338,
&end
#
#  33  LEU QD  85  VAL QG
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 7.29, r4= 8.20125,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 501,502,503,505,506,507,
igr2= 1352,1353,1354,1356,1357,1358,
&end
#
#  34  ARG H  34  ARG QG
 &rst iat= 511, -1, r1= 0, r2= 0, r3= 4.704, r4= 5.264,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 518,519,
&end
#
#  34  ARG H  35  MET H
 &rst iat= 511,535, r1= 0, r2= 0, r3= 4.9, r4= 5.4,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  34  ARG H  35  MET QG
 &rst iat= 511, -1, r1= 0, r2= 0, r3= 5.152, r4= 5.712,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 542,543,
&end
#
#  34  ARG HA  35  MET H
 &rst iat= 513,535, r1= 0, r2= 0, r3= 3.4, r4= 3.9,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  34  ARG HA  35  MET QB
 &rst iat= 513, -1, r1= 0, r2= 0, r3= 5.152, r4= 5.712,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 539,540,
&end
#
#  34  ARG HA  35  MET QG
 &rst iat= 513, -1, r1= 0, r2= 0, r3= 5.264, r4= 5.824,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 542,543,
&end
#
#  34  ARG QB  35  MET H
 &rst iat= -1,535, r1= 0, r2= 0, r3= 4.704, r4= 5.264,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 515,516,
&end
#
#  34  ARG HA  51  TRP HE3
 &rst iat= 513,800, r1= 0, r2= 0, r3= 5.2, r4= 5.7,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  34  ARG QB  51  TRP HE3
 &rst iat= -1,800, r1= 0, r2= 0, r3= 5.712, r4= 6.272,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 515,516,
&end
#
#  34  ARG QG  51  TRP HE3
 &rst iat= -1,800, r1= 0, r2= 0, r3= 5.936, r4= 6.496,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 518,519,
&end
#
#  34  ARG QG  51  TRP HZ3
 &rst iat= -1,798, r1= 0, r2= 0, r3= 5.04, r4= 5.6,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 518,519,
&end
#
#  34  ARG QD  51  TRP QB
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.02112, r4= 6.64832,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 521,522,
igr2= 785,786,
&end
#
#  34  ARG QD  51  TRP HE3
 &rst iat= -1,800, r1= 0, r2= 0, r3= 5.264, r4= 5.824,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 521,522,
&end
#
#  34  ARG HA  53  HIS HA
 &rst iat= 513,828, r1= 0, r2= 0, r3= 4.2, r4= 4.7,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  34  ARG H  54  PHE HA
 &rst iat= 511,845, r1= 0, r2= 0, r3= 5.2, r4= 5.7,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  34  ARG HA  54  PHE H
 &rst iat= 513,843, r1= 0, r2= 0, r3= 4.1, r4= 4.6,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  34  ARG HA  54  PHE HA
 &rst iat= 513,845, r1= 0, r2= 0, r3= 4.8, r4= 5.3,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  34  ARG HA  54  PHE QB
 &rst iat= 513, -1, r1= 0, r2= 0, r3= 5.488, r4= 6.048,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 847,848,
&end
#
#  34  ARG QB  54  PHE HA
 &rst iat= -1,845, r1= 0, r2= 0, r3= 6.16, r4= 6.72,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 515,516,
&end
#
#  34  ARG H  77  LEU QD
 &rst iat= 511, -1, r1= 0, r2= 0, r3= 6.75, r4= 7.425,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1208,1209,1210,1212,1213,1214,
&end
#
#  35  MET H  35  MET QB
 &rst iat= 535, -1, r1= 0, r2= 0, r3= 4.704, r4= 5.264,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 539,540,
&end
#
#  35  MET H  35  MET QG
 &rst iat= 535, -1, r1= 0, r2= 0, r3= 5.04, r4= 5.6,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 542,543,
&end
#
#  35  MET HA  35  MET QG
 &rst iat= 537, -1, r1= 0, r2= 0, r3= 4.256, r4= 4.816,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 542,543,
&end
#
#  35  MET HA  35  MET QE
 &rst iat= 537, -1, r1= 0, r2= 0, r3= 4.68, r4= 5.28,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 546,547,548,
&end
#
#  35  MET QB  35  MET QE
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 3.6288, r4= 4.3008,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 539,540,
igr2= 546,547,548,
&end
#
#  35  MET QG  35  MET QE
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 4.3008, r4= 4.9728,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 542,543,
igr2= 546,547,548,
&end
#
#  35  MET H  36  ALA H
 &rst iat= 535,552, r1= 0, r2= 0, r3= 5, r4= 5.5,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  35  MET H  36  ALA HA
 &rst iat= 535,554, r1= 0, r2= 0, r3= 4.9, r4= 5.4,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  35  MET HA  36  ALA H
 &rst iat= 537,552, r1= 0, r2= 0, r3= 3.3, r4= 3.8,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  35  MET HA  36  ALA QB
 &rst iat= 537, -1, r1= 0, r2= 0, r3= 4.44, r4= 5.04,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 556,557,558,
&end
#
#  35  MET QB  36  ALA H
 &rst iat= -1,552, r1= 0, r2= 0, r3= 4.704, r4= 5.264,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 539,540,
&end
#
#  35  MET QG  36  ALA H
 &rst iat= -1,552, r1= 0, r2= 0, r3= 5.04, r4= 5.6,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 542,543,
&end
#
#  35  MET QE  36  ALA H
 &rst iat= -1,552, r1= 0, r2= 0, r3= 4.56, r4= 5.16,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 546,547,548,
&end
#
#  35  MET H  51  TRP HE3
 &rst iat= 535,800, r1= 0, r2= 0, r3= 4.7, r4= 5.2,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  35  MET H  51  TRP HZ3
 &rst iat= 535,798, r1= 0, r2= 0, r3= 5.5, r4= 6,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  35  MET HA  51  TRP HZ3
 &rst iat= 537,798, r1= 0, r2= 0, r3= 4.5, r4= 5,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  35  MET H  52  TYR H
 &rst iat= 535,805, r1= 0, r2= 0, r3= 4.2, r4= 4.7,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  35  MET QB  54  PHE HA
 &rst iat= -1,845, r1= 0, r2= 0, r3= 4.928, r4= 5.488,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 539,540,
&end
#
#  35  MET QG  54  PHE HA
 &rst iat= -1,845, r1= 0, r2= 0, r3= 4.928, r4= 5.488,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 542,543,
&end
#
#  35  MET QG  54  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= 542,543,
igr2= 851,859,
&end
#
#  35  MET QB  57  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= 539,540,
igr2= 888,889,
&end
#
#  35  MET QG  57  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= 542,543,
igr2= 888,889,
&end
#
#  35  MET QE  57  PHE HA
 &rst iat= -1,886, r1= 0, r2= 0, r3= 6.24, r4= 6.84,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 546,547,548,
&end
#
#  35  MET QE  57  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= 546,547,548,
igr2= 894,898,
&end
#
#  35  MET QE  57  PHE HZ
 &rst iat= -1,896, r1= 0, r2= 0, r3= 4.44, r4= 5.04,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 546,547,548,
&end
#
#  35  MET QE  58  TRP H
 &rst iat= -1,904, r1= 0, r2= 0, r3= 6.6, r4= 7.2,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 546,547,548,
&end
#
#  35  MET QE  58  TRP HE1
 &rst iat= -1,914, r1= 0, r2= 0, r3= 6, r4= 6.6,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 546,547,548,
&end
#
#  35  MET QE  58  TRP HZ2
 &rst iat= -1,917, r1= 0, r2= 0, r3= 3.6, r4= 4.2,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 546,547,548,
&end
#
#  35  MET QE  58  TRP HH2
 &rst iat= -1,919, r1= 0, r2= 0, r3= 4.2, r4= 4.8,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 546,547,548,
&end
#
#  35  MET QE  64  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= 546,547,548,
igr2= 1007,1008,1009,
&end
#
#  35  MET QE  64  ILE QD1
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 4.176, r4= 4.896,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 546,547,548,
igr2= 1014,1015,1016,
&end
#
#  35  MET QG  71  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= 542,543,
igr2= 1124,1125,1126,1128,1129,1130,
&end
#
#  35  MET QE  71  VAL HA
 &rst iat= -1,1120, r1= 0, r2= 0, r3= 5.52, r4= 6.12,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 546,547,548,
&end
#
#  35  MET QE  71  VAL HB
 &rst iat= -1,1122, r1= 0, r2= 0, r3= 6.6, r4= 7.2,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 546,547,548,
&end
#
#  35  MET QE  71  VAL QG
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 4.536, r4= 5.346,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 546,547,548,
igr2= 1124,1125,1126,1128,1129,1130,
&end
#
#  35  MET QE  85  VAL QG
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 4.86, r4= 5.67,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 546,547,548,
igr2= 1352,1353,1354,1356,1357,1358,
&end
#
#  36  ALA H  36  ALA QB
 &rst iat= 552, -1, r1= 0, r2= 0, r3= 3.96, r4= 4.56,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 556,557,558,
&end
#
#  36  ALA HA  37  ILE H
 &rst iat= 554,562, r1= 0, r2= 0, r3= 3.2, r4= 3.7,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  36  ALA HA  37  ILE HB
 &rst iat= 554,566, r1= 0, r2= 0, r3= 4.3, r4= 4.8,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  36  ALA QB  37  ILE H
 &rst iat= -1,562, r1= 0, r2= 0, r3= 4.08, r4= 4.68,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 556,557,558,
&end
#
#  36  ALA QB  37  ILE HB
 &rst iat= -1,566, r1= 0, r2= 0, r3= 6.6, r4= 7.2,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 556,557,558,
&end
#
#  36  ALA QB  37  ILE QG2
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 7.2, r4= 7.92,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 556,557,558,
igr2= 568,569,570,
&end
#
#  36  ALA QB  38  MET QE
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.76, r4= 6.48,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 556,557,558,
igr2= 592,593,594,
&end
#
#  36  ALA QB  49  PRO HA
 &rst iat= -1,760, r1= 0, r2= 0, r3= 4.8, r4= 5.4,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 556,557,558,
&end
#
#  36  ALA QB  49  PRO QB
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 4.5696, r4= 5.2416,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 556,557,558,
igr2= 757,758,
&end
#
#  36  ALA QB  49  PRO QG
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.3168, r4= 6.9888,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 556,557,558,
igr2= 754,755,
&end
#
#  36  ALA QB  49  PRO QD
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 7.392, r4= 8.064,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 556,557,558,
igr2= 751,752,
&end
#
#  36  ALA HA  50  HIS H
 &rst iat= 554,764, r1= 0, r2= 0, r3= 4.7, r4= 5.2,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  36  ALA HA  50  HIS HA
 &rst iat= 554,766, r1= 0, r2= 0, r3= 5, r4= 5.5,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  36  ALA QB  50  HIS H
 &rst iat= -1,764, r1= 0, r2= 0, r3= 4.32, r4= 4.92,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 556,557,558,
&end
#
#  36  ALA H  51  TRP HZ3
 &rst iat= 552,798, r1= 0, r2= 0, r3= 4.9, r4= 5.4,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  36  ALA HA  51  TRP HA
 &rst iat= 554,783, r1= 0, r2= 0, r3= 3.9, r4= 4.4,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  36  ALA HA  51  TRP HE3
 &rst iat= 554,800, r1= 0, r2= 0, r3= 4.8, r4= 5.3,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  36  ALA QB  51  TRP H
 &rst iat= -1,781, r1= 0, r2= 0, r3= 5.4, r4= 6,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 556,557,558,
&end
#
#  36  ALA QB  51  TRP HA
 &rst iat= -1,783, r1= 0, r2= 0, r3= 4.56, r4= 5.16,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 556,557,558,
&end
#
#  36  ALA QB  51  TRP HD1
 &rst iat= -1,789, r1= 0, r2= 0, r3= 6.36, r4= 6.96,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 556,557,558,
&end
#
#  36  ALA QB  51  TRP HE1
 &rst iat= -1,791, r1= 0, r2= 0, r3= 6.24, r4= 6.84,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 556,557,558,
&end
#
#  36  ALA QB  51  TRP HE3
 &rst iat= -1,800, r1= 0, r2= 0, r3= 4.68, r4= 5.28,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 556,557,558,
&end
#
#  36  ALA QB  51  TRP HZ2
 &rst iat= -1,794, r1= 0, r2= 0, r3= 4.92, r4= 5.52,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 556,557,558,
&end
#
#  36  ALA QB  51  TRP HZ3
 &rst iat= -1,798, r1= 0, r2= 0, r3= 4.68, r4= 5.28,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 556,557,558,
&end
#
#  36  ALA QB  51  TRP HH2
 &rst iat= -1,796, r1= 0, r2= 0, r3= 6.6, r4= 7.2,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 556,557,558,
&end
#
#  36  ALA HA  52  TYR H
 &rst iat= 554,805, r1= 0, r2= 0, r3= 4.3, r4= 4.8,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  36  ALA HA  52  TYR QE
 &rst iat= 554, -1, r1= 0, r2= 0, r3= 5.04, r4= 5.6,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 815,820,
&end
#
#  36  ALA QB  52  TYR H
 &rst iat= -1,805, r1= 0, r2= 0, r3= 5.28, r4= 5.88,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 556,557,558,
&end
#
#  37  ILE H  37  ILE HB
 &rst iat= 562,566, r1= 0, r2= 0, r3= 3.8, r4= 4.3,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  37  ILE H  37  ILE QG1
 &rst iat= 562, -1, r1= 0, r2= 0, r3= 5.824, r4= 6.384,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 572,573,
&end
#
#  37  ILE H  37  ILE QG2
 &rst iat= 562, -1, r1= 0, r2= 0, r3= 4.2, r4= 4.8,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 568,569,570,
&end
#
#  37  ILE H  37  ILE QD1
 &rst iat= 562, -1, r1= 0, r2= 0, r3= 5.28, r4= 5.88,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 575,576,577,
&end
#
#  37  ILE HA  37  ILE QG1
 &rst iat= 564, -1, r1= 0, r2= 0, r3= 3.584, r4= 4.144,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 572,573,
&end
#
#  37  ILE HA  37  ILE QG2
 &rst iat= 564, -1, r1= 0, r2= 0, r3= 4.2, r4= 4.8,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 568,569,570,
&end
#
#  37  ILE HA  37  ILE QD1
 &rst iat= 564, -1, r1= 0, r2= 0, r3= 4.68, r4= 5.28,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 575,576,577,
&end
#
#  37  ILE HB  37  ILE QD1
 &rst iat= 566, -1, r1= 0, r2= 0, r3= 3.36, r4= 3.96,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 575,576,577,
&end
#
#  37  ILE QG2  37  ILE QG1
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 4.032, r4= 4.704,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 568,569,570,
igr2= 572,573,
&end
#
#  37  ILE QG2  37  ILE QD1
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 4.176, r4= 4.896,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 568,569,570,
igr2= 575,576,577,
&end
#
#  37  ILE H  38  MET QE
 &rst iat= 562, -1, r1= 0, r2= 0, r3= 5.88, r4= 6.48,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 592,593,594,
&end
#
#  37  ILE HA  38  MET H
 &rst iat= 564,581, r1= 0, r2= 0, r3= 3.3, r4= 3.8,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  37  ILE HA  38  MET HA
 &rst iat= 564,583, r1= 0, r2= 0, r3= 4.9, r4= 5.4,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  37  ILE HA  38  MET QB
 &rst iat= 564, -1, r1= 0, r2= 0, r3= 5.376, r4= 5.936,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 585,586,
&end
#
#  37  ILE HB  38  MET H
 &rst iat= 566,581, r1= 0, r2= 0, r3= 4.4, r4= 4.9,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  37  ILE QG1  38  MET H
 &rst iat= -1,581, r1= 0, r2= 0, r3= 5.04, r4= 5.6,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 572,573,
&end
#
#  37  ILE QG2  38  MET H
 &rst iat= -1,581, r1= 0, r2= 0, r3= 4.2, r4= 4.8,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 568,569,570,
&end
#
#  37  ILE QG2  38  MET HA
 &rst iat= -1,583, r1= 0, r2= 0, r3= 4.56, r4= 5.16,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 568,569,570,
&end
#
#  37  ILE QG2  38  MET QE
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.48, r4= 7.2,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 568,569,570,
igr2= 592,593,594,
&end
#
#  37  ILE QD1  38  MET H
 &rst iat= -1,581, r1= 0, r2= 0, r3= 6.24, r4= 6.84,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 575,576,577,
&end
#
#  37  ILE HB  39  VAL QG
 &rst iat= 566, -1, r1= 0, r2= 0, r3= 6.885, r4= 7.56,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 604,605,606,608,609,610,
&end
#
#  37  ILE QG2  39  VAL H
 &rst iat= -1,598, r1= 0, r2= 0, r3= 5.52, r4= 6.12,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 568,569,570,
&end
#
#  37  ILE QG2  39  VAL QG
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.346, r4= 6.156,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 568,569,570,
igr2= 604,605,606,608,609,610,
&end
#
#  37  ILE H  49  PRO HA
 &rst iat= 562,760, r1= 0, r2= 0, r3= 4.5, r4= 5,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  37  ILE H  49  PRO QB
 &rst iat= 562, -1, r1= 0, r2= 0, r3= 5.824, r4= 6.384,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 757,758,
&end
#
#  37  ILE QG2  49  PRO HA
 &rst iat= -1,760, r1= 0, r2= 0, r3= 5.88, r4= 6.48,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 568,569,570,
&end
#
#  37  ILE H  50  HIS H
 &rst iat= 562,764, r1= 0, r2= 0, r3= 3.9, r4= 4.4,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  37  ILE H  50  HIS QB
 &rst iat= 562, -1, r1= 0, r2= 0, r3= 5.152, r4= 5.712,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 768,769,
&end
#
#  37  ILE H  50  HIS HD2
 &rst iat= 562,777, r1= 0, r2= 0, r3= 5, r4= 5.5,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  37  ILE HB  50  HIS H
 &rst iat= 566,764, r1= 0, r2= 0, r3= 4.8, r4= 5.3,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  37  ILE HB  50  HIS QB
 &rst iat= 566, -1, r1= 0, r2= 0, r3= 5.712, r4= 6.272,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 768,769,
&end
#
#  37  ILE QG2  50  HIS H
 &rst iat= -1,764, r1= 0, r2= 0, r3= 4.92, r4= 5.52,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 568,569,570,
&end
#
#  37  ILE QG2  50  HIS QB
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.1072, r4= 5.7792,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 568,569,570,
igr2= 768,769,
&end
#
#  37  ILE QG2  50  HIS HD2
 &rst iat= -1,777, r1= 0, r2= 0, r3= 5.88, r4= 6.48,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 568,569,570,
&end
#
#  37  ILE QD1  50  HIS H
 &rst iat= -1,764, r1= 0, r2= 0, r3= 6.48, r4= 7.08,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 575,576,577,
&end
#
#  37  ILE QD1  50  HIS QB
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.8544, r4= 7.5264,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 575,576,577,
igr2= 768,769,
&end
#
#  37  ILE H  52  TYR QD
 &rst iat= 562, -1, r1= 0, r2= 0, r3= 6.16, r4= 6.72,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 813,822,
&end
#
#  37  ILE H  52  TYR QE
 &rst iat= 562, -1, r1= 0, r2= 0, r3= 5.376, r4= 5.936,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 815,820,
&end
#
#  37  ILE HB  52  TYR QD
 &rst iat= 566, -1, r1= 0, r2= 0, r3= 6.16, r4= 6.72,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 813,822,
&end
#
#  37  ILE HB  52  TYR QE
 &rst iat= 566, -1, r1= 0, r2= 0, r3= 4.256, r4= 4.816,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 815,820,
&end
#
#  37  ILE QG2  52  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= 568,569,570,
igr2= 815,820,
&end
#
#  37  ILE QD1  52  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= 575,576,577,
igr2= 815,820,
&end
#
#  37  ILE QG1  57  PHE HZ
 &rst iat= -1,896, r1= 0, r2= 0, r3= 5.824, r4= 6.384,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 572,573,
&end
#
#  37  ILE QD1  57  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= 575,576,577,
igr2= 894,898,
&end
#
#  37  ILE QD1  57  PHE HZ
 &rst iat= -1,896, r1= 0, r2= 0, r3= 5.4, r4= 6,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 575,576,577,
&end
#
#  37  ILE QG2  60  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= 568,569,570,
igr2= 956,957,958,960,961,962,
&end
#
#  37  ILE QD1  60  VAL HB
 &rst iat= -1,954, r1= 0, r2= 0, r3= 5.28, r4= 5.88,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 575,576,577,
&end
#
#  37  ILE QD1  60  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= 575,576,577,
igr2= 956,957,958,960,961,962,
&end
#
#  37  ILE QG2  62  HIS HE1
 &rst iat= -1,982, r1= 0, r2= 0, r3= 5.28, r4= 5.88,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 568,569,570,
&end
#
#  37  ILE QD1  62  HIS QB
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.1824, r4= 6.8544,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 575,576,577,
igr2= 977,978,
&end
#
#  37  ILE QD1  62  HIS HD2
 &rst iat= -1,986, r1= 0, r2= 0, r3= 5.4, r4= 6,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 575,576,577,
&end
#
#  37  ILE QD1  62  HIS HE1
 &rst iat= -1,982, r1= 0, r2= 0, r3= 5.16, r4= 5.76,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 575,576,577,
&end
#
#  38  MET H  38  MET QB
 &rst iat= 581, -1, r1= 0, r2= 0, r3= 4.032, r4= 4.592,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 585,586,
&end
#
#  38  MET H  38  MET QG
 &rst iat= 581, -1, r1= 0, r2= 0, r3= 4.704, r4= 5.264,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 588,589,
&end
#
#  38  MET H  38  MET QE
 &rst iat= 581, -1, r1= 0, r2= 0, r3= 4.44, r4= 5.04,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 592,593,594,
&end
#
#  38  MET HA  38  MET QE
 &rst iat= 583, -1, r1= 0, r2= 0, r3= 3.84, r4= 4.44,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 592,593,594,
&end
#
#  38  MET QG  38  MET QE
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 4.3008, r4= 4.9728,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 588,589,
igr2= 592,593,594,
&end
#
#  38  MET H  39  VAL H
 &rst iat= 581,598, r1= 0, r2= 0, r3= 5.1, r4= 5.6,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  38  MET H  39  VAL QG
 &rst iat= 581, -1, r1= 0, r2= 0, r3= 6.885, r4= 7.56,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 604,605,606,608,609,610,
&end
#
#  38  MET HA  39  VAL H
 &rst iat= 583,598, r1= 0, r2= 0, r3= 3.2, r4= 3.7,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  38  MET HA  39  VAL HB
 &rst iat= 583,602, r1= 0, r2= 0, r3= 5.1, r4= 5.6,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  38  MET HA  39  VAL QG
 &rst iat= 583, -1, r1= 0, r2= 0, r3= 5.4, r4= 6.075,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 604,605,606,608,609,610,
&end
#
#  38  MET QB  39  VAL H
 &rst iat= -1,598, r1= 0, r2= 0, r3= 5.376, r4= 5.936,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 585,586,
&end
#
#  38  MET QE  39  VAL H
 &rst iat= -1,598, r1= 0, r2= 0, r3= 4.32, r4= 4.92,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 592,593,594,
&end
#
#  38  MET QG  47  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= 588,589,
igr2= 716,717,
&end
#
#  38  MET QE  47  LYS QB
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 4.3008, r4= 4.9728,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 592,593,594,
igr2= 716,717,
&end
#
#  38  MET QE  47  LYS QE
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.6448, r4= 6.3168,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 592,593,594,
igr2= 725,726,
&end
#
#  38  MET QE  48  VAL H
 &rst iat= -1,734, r1= 0, r2= 0, r3= 4.32, r4= 4.92,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 592,593,594,
&end
#
#  38  MET QE  48  VAL HA
 &rst iat= -1,736, r1= 0, r2= 0, r3= 4.2, r4= 4.8,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 592,593,594,
&end
#
#  38  MET QE  48  VAL HB
 &rst iat= -1,738, r1= 0, r2= 0, r3= 5.64, r4= 6.24,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 592,593,594,
&end
#
#  38  MET H  49  PRO HA
 &rst iat= 581,760, r1= 0, r2= 0, r3= 4.8, r4= 5.3,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  38  MET HA  49  PRO HA
 &rst iat= 583,760, r1= 0, r2= 0, r3= 3.7, r4= 4.2,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  38  MET HA  49  PRO QB
 &rst iat= 583, -1, r1= 0, r2= 0, r3= 5.6, r4= 6.16,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 757,758,
&end
#
#  38  MET QE  49  PRO HA
 &rst iat= -1,760, r1= 0, r2= 0, r3= 3.84, r4= 4.44,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 592,593,594,
&end
#
#  38  MET QE  49  PRO QB
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 4.5696, r4= 5.2416,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 592,593,594,
igr2= 757,758,
&end
#
#  38  MET QE  49  PRO QG
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.4512, r4= 7.1232,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 592,593,594,
igr2= 754,755,
&end
#
#  38  MET QE  49  PRO QD
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 4.5696, r4= 5.2416,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 592,593,594,
igr2= 751,752,
&end
#
#  38  MET HA  50  HIS H
 &rst iat= 583,764, r1= 0, r2= 0, r3= 5, r4= 5.5,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  38  MET QE  50  HIS H
 &rst iat= -1,764, r1= 0, r2= 0, r3= 4.92, r4= 5.52,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 592,593,594,
&end
#
#  38  MET QE  50  HIS HD2
 &rst iat= -1,777, r1= 0, r2= 0, r3= 6.12, r4= 6.72,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 592,593,594,
&end
#
#  39  VAL H  39  VAL HB
 &rst iat= 598,602, r1= 0, r2= 0, r3= 3.9, r4= 4.4,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  39  VAL H  39  VAL QG
 &rst iat= 598, -1, r1= 0, r2= 0, r3= 4.455, r4= 5.13,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 604,605,606,608,609,610,
&end
#
#  39  VAL HA  39  VAL QG
 &rst iat= 600, -1, r1= 0, r2= 0, r3= 4.185, r4= 4.86,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 604,605,606,608,609,610,
&end
#
#  39  VAL H  40  GLN H
 &rst iat= 598,614, r1= 0, r2= 0, r3= 4.8, r4= 5.3,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  39  VAL HA  40  GLN H
 &rst iat= 600,614, r1= 0, r2= 0, r3= 2.8, r4= 3.3,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  39  VAL HA  40  GLN QG
 &rst iat= 600, -1, r1= 0, r2= 0, r3= 5.712, r4= 6.272,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 621,622,
&end
#
#  39  VAL HB  40  GLN H
 &rst iat= 602,614, r1= 0, r2= 0, r3= 4, r4= 4.5,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  39  VAL HB  40  GLN QG
 &rst iat= 602, -1, r1= 0, r2= 0, r3= 5.6, r4= 6.16,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 621,622,
&end
#
#  39  VAL QG  40  GLN H
 &rst iat= -1,614, r1= 0, r2= 0, r3= 4.86, r4= 5.535,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 604,605,606,608,609,610,
&end
#
#  39  VAL QG  40  GLN HA
 &rst iat= -1,616, r1= 0, r2= 0, r3= 6.885, r4= 7.56,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 604,605,606,608,609,610,
&end
#
#  39  VAL QG  40  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= 604,605,606,608,609,610,
igr2= 618,619,
&end
#
#  39  VAL QG  40  GLN QG
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.804, r4= 7.56,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 604,605,606,608,609,610,
igr2= 621,622,
&end
#
#  39  VAL QG  41  SER H
 &rst iat= -1,631, r1= 0, r2= 0, r3= 6.885, r4= 7.56,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 604,605,606,608,609,610,
&end
#
#  39  VAL QG  41  SER HA
 &rst iat= -1,633, r1= 0, r2= 0, r3= 5.13, r4= 5.805,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 604,605,606,608,609,610,
&end
#
#  39  VAL H  47  LYS QB
 &rst iat= 598, -1, r1= 0, r2= 0, r3= 5.488, r4= 6.048,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 716,717,
&end
#
#  39  VAL HA  47  LYS QD
 &rst iat= 600, -1, r1= 0, r2= 0, r3= 5.152, r4= 5.712,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 722,723,
&end
#
#  39  VAL HA  47  LYS QE
 &rst iat= 600, -1, r1= 0, r2= 0, r3= 4.48, r4= 5.04,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 725,726,
&end
#
#  39  VAL QG  47  LYS QD
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.6528, r4= 7.4088,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 604,605,606,608,609,610,
igr2= 722,723,
&end
#
#  39  VAL H  48  VAL H
 &rst iat= 598,734, r1= 0, r2= 0, r3= 3.7, r4= 4.2,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  39  VAL H  48  VAL QG
 &rst iat= 598, -1, r1= 0, r2= 0, r3= 5.67, r4= 6.345,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 740,741,742,744,745,746,
&end
#
#  39  VAL HA  48  VAL QG
 &rst iat= 600, -1, r1= 0, r2= 0, r3= 7.155, r4= 7.83,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 740,741,742,744,745,746,
&end
#
#  39  VAL QG  48  VAL H
 &rst iat= -1,734, r1= 0, r2= 0, r3= 6.48, r4= 7.155,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 604,605,606,608,609,610,
&end
#
#  39  VAL QG  48  VAL HB
 &rst iat= -1,738, r1= 0, r2= 0, r3= 5.94, r4= 6.615,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 604,605,606,608,609,610,
&end
#
#  39  VAL QG  48  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= 604,605,606,608,609,610,
igr2= 740,741,742,744,745,746,
&end
#
#  39  VAL H  49  PRO HA
 &rst iat= 598,760, r1= 0, r2= 0, r3= 3.8, r4= 4.3,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  39  VAL HB  50  HIS HE1
 &rst iat= 602,773, r1= 0, r2= 0, r3= 5.3, r4= 5.8,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  39  VAL QG  50  HIS H
 &rst iat= -1,764, r1= 0, r2= 0, r3= 5.13, r4= 5.805,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 604,605,606,608,609,610,
&end
#
#  39  VAL QG  50  HIS QB
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.5016, r4= 7.2576,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 604,605,606,608,609,610,
igr2= 768,769,
&end
#
#  39  VAL QG  50  HIS HD2
 &rst iat= -1,777, r1= 0, r2= 0, r3= 5.4, r4= 6.075,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 604,605,606,608,609,610,
&end
#
#  39  VAL QG  50  HIS HE1
 &rst iat= -1,773, r1= 0, r2= 0, r3= 5.4, r4= 6.075,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 604,605,606,608,609,610,
&end
#
#  40  GLN H  40  GLN QB
 &rst iat= 614, -1, r1= 0, r2= 0, r3= 3.472, r4= 4.032,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 618,619,
&end
#
#  40  GLN H  40  GLN QG
 &rst iat= 614, -1, r1= 0, r2= 0, r3= 4.48, r4= 5.04,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 621,622,
&end
#
#  40  GLN HA  40  GLN QB
 &rst iat= 616, -1, r1= 0, r2= 0, r3= 3.36, r4= 3.92,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 618,619,
&end
#
#  40  GLN HA  40  GLN QG
 &rst iat= 616, -1, r1= 0, r2= 0, r3= 3.92, r4= 4.48,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 621,622,
&end
#
#  40  GLN QB  40  GLN QG
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 3.38688, r4= 4.01408,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 618,619,
igr2= 621,622,
&end
#
#  40  GLN H  41  SER H
 &rst iat= 614,631, r1= 0, r2= 0, r3= 4.9, r4= 5.4,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  40  GLN HA  41  SER H
 &rst iat= 616,631, r1= 0, r2= 0, r3= 2.8, r4= 3.3,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  40  GLN HA  41  SER QB
 &rst iat= 616, -1, r1= 0, r2= 0, r3= 5.152, r4= 5.712,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 635,636,
&end
#
#  40  GLN QB  41  SER H
 &rst iat= -1,631, r1= 0, r2= 0, r3= 4.032, r4= 4.592,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 618,619,
&end
#
#  40  GLN H  47  LYS QB
 &rst iat= 614, -1, r1= 0, r2= 0, r3= 5.824, r4= 6.384,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 716,717,
&end
#
#  40  GLN H  47  LYS QD
 &rst iat= 614, -1, r1= 0, r2= 0, r3= 6.16, r4= 6.72,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 722,723,
&end
#
#  40  GLN H  47  LYS QE
 &rst iat= 614, -1, r1= 0, r2= 0, r3= 5.376, r4= 5.936,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 725,726,
&end
#
#  40  GLN HA  47  LYS HA
 &rst iat= 616,714, r1= 0, r2= 0, r3= 3.3, r4= 3.8,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  40  GLN HA  47  LYS QB
 &rst iat= 616, -1, r1= 0, r2= 0, r3= 5.264, r4= 5.824,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 716,717,
&end
#
#  40  GLN HA  47  LYS QG
 &rst iat= 616, -1, r1= 0, r2= 0, r3= 4.48, r4= 5.04,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 719,720,
&end
#
#  40  GLN HA  47  LYS QD
 &rst iat= 616, -1, r1= 0, r2= 0, r3= 4.368, r4= 4.928,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 722,723,
&end
#
#  40  GLN HA  47  LYS QE
 &rst iat= 616, -1, r1= 0, r2= 0, r3= 5.488, r4= 6.048,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 725,726,
&end
#
#  40  GLN QB  47  LYS HA
 &rst iat= -1,714, r1= 0, r2= 0, r3= 5.712, r4= 6.272,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 618,619,
&end
#
#  40  GLN QB  47  LYS QG
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.51936, r4= 6.14656,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 618,619,
igr2= 719,720,
&end
#
#  40  GLN QB  47  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= 618,619,
igr2= 722,723,
&end
#
#  40  GLN QB  47  LYS QE
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.39392, r4= 6.02112,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 618,619,
igr2= 725,726,
&end
#
#  40  GLN QG  47  LYS QG
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.52288, r4= 7.15008,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 621,622,
igr2= 719,720,
&end
#
#  40  GLN QG  47  LYS QD
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.51936, r4= 6.14656,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 621,622,
igr2= 722,723,
&end
#
#  40  GLN QG  47  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= 621,622,
igr2= 725,726,
&end
#
#  40  GLN HA  48  VAL H
 &rst iat= 616,734, r1= 0, r2= 0, r3= 4.4, r4= 4.9,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  40  GLN HA  48  VAL QG
 &rst iat= 616, -1, r1= 0, r2= 0, r3= 6.075, r4= 6.75,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 740,741,742,744,745,746,
&end
#
#  41  SER H  41  SER QB
 &rst iat= 631, -1, r1= 0, r2= 0, r3= 3.472, r4= 4.032,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 635,636,
&end
#
#  41  SER HA  41  SER QB
 &rst iat= 633, -1, r1= 0, r2= 0, r3= 3.36, r4= 3.92,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 635,636,
&end
#
#  41  SER H  42  PRO QD
 &rst iat= 631, -1, r1= 0, r2= 0, r3= 4.816, r4= 5.376,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 643,644,
&end
#
#  41  SER HA  42  PRO HA
 &rst iat= 633,652, r1= 0, r2= 0, r3= 4.3, r4= 4.8,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  41  SER HA  42  PRO QB
 &rst iat= 633, -1, r1= 0, r2= 0, r3= 5.6, r4= 6.16,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 649,650,
&end
#
#  41  SER HA  42  PRO QD
 &rst iat= 633, -1, r1= 0, r2= 0, r3= 2.912, r4= 3.472,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 643,644,
&end
#
#  41  SER QB  42  PRO QD
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.14304, r4= 5.77024,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 635,636,
igr2= 643,644,
&end
#
#  41  SER H  43  MET H
 &rst iat= 631,656, r1= 0, r2= 0, r3= 5.5, r4= 6,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  41  SER HA  43  MET QE
 &rst iat= 633, -1, r1= 0, r2= 0, r3= 4.8, r4= 5.4,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 667,668,669,
&end
#
#  41  SER QB  43  MET H
 &rst iat= -1,656, r1= 0, r2= 0, r3= 5.04, r4= 5.6,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 635,636,
&end
#
#  41  SER QB  43  MET QB
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.02112, r4= 6.64832,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 635,636,
igr2= 660,661,
&end
#
#  41  SER H  44  PHE H
 &rst iat= 631,673, r1= 0, r2= 0, r3= 4.9, r4= 5.4,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  41  SER QB  44  PHE H
 &rst iat= -1,673, r1= 0, r2= 0, r3= 4.144, r4= 4.704,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 635,636,
&end
#
#  41  SER QB  44  PHE HA
 &rst iat= -1,675, r1= 0, r2= 0, r3= 4.928, r4= 5.488,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 635,636,
&end
#
#  41  SER QB  44  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= 635,636,
igr2= 677,678,
&end
#
#  41  SER QB  44  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= 635,636,
igr2= 681,689,
&end
#
#  41  SER QB  45  ASP H
 &rst iat= -1,693, r1= 0, r2= 0, r3= 6.16, r4= 6.72,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 635,636,
&end
#
#  41  SER H  46  GLY H
 &rst iat= 631,705, r1= 0, r2= 0, r3= 4.2, r4= 4.7,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  41  SER H  46  GLY QA
 &rst iat= 631, -1, r1= 0, r2= 0, r3= 5.264, r4= 5.824,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 707,708,
&end
#
#  41  SER QB  46  GLY H
 &rst iat= -1,705, r1= 0, r2= 0, r3= 4.928, r4= 5.488,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 635,636,
&end
#
#  41  SER H  47  LYS QG
 &rst iat= 631, -1, r1= 0, r2= 0, r3= 5.936, r4= 6.496,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 719,720,
&end
#
#  41  SER H  47  LYS QD
 &rst iat= 631, -1, r1= 0, r2= 0, r3= 5.488, r4= 6.048,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 722,723,
&end
#
#  41  SER QB  47  LYS HA
 &rst iat= -1,714, r1= 0, r2= 0, r3= 4.592, r4= 5.152,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 635,636,
&end
#
#  41  SER H  48  VAL H
 &rst iat= 631,734, r1= 0, r2= 0, r3= 4.1, r4= 4.6,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  41  SER H  48  VAL QG
 &rst iat= 631, -1, r1= 0, r2= 0, r3= 5.4, r4= 6.075,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 740,741,742,744,745,746,
&end
#
#  41  SER HA  48  VAL QG
 &rst iat= 633, -1, r1= 0, r2= 0, r3= 4.455, r4= 5.13,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 740,741,742,744,745,746,
&end
#
#  41  SER QB  48  VAL H
 &rst iat= -1,734, r1= 0, r2= 0, r3= 5.6, r4= 6.16,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 635,636,
&end
#
#  41  SER QB  48  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= 635,636,
igr2= 740,741,742,744,745,746,
&end
#
#  42  PRO QB  43  MET H
 &rst iat= -1,656, r1= 0, r2= 0, r3= 4.928, r4= 5.488,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 649,650,
&end
#
#  42  PRO QG  43  MET H
 &rst iat= -1,656, r1= 0, r2= 0, r3= 5.264, r4= 5.824,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 646,647,
&end
#
#  42  PRO QD  43  MET H
 &rst iat= -1,656, r1= 0, r2= 0, r3= 4.48, r4= 5.04,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 643,644,
&end
#
#  42  PRO QD  43  MET QE
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 4.4352, r4= 5.1072,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 643,644,
igr2= 667,668,669,
&end
#
#  42  PRO HA  44  PHE H
 &rst iat= 652,673, r1= 0, r2= 0, r3= 4.7, r4= 5.2,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  42  PRO QD  48  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= 643,644,
igr2= 740,741,742,744,745,746,
&end
#
#  43  MET H  43  MET QB
 &rst iat= 656, -1, r1= 0, r2= 0, r3= 4.256, r4= 4.816,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 660,661,
&end
#
#  43  MET H  43  MET QG
 &rst iat= 656, -1, r1= 0, r2= 0, r3= 4.928, r4= 5.488,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 663,664,
&end
#
#  43  MET HA  43  MET QG
 &rst iat= 658, -1, r1= 0, r2= 0, r3= 4.48, r4= 5.04,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 663,664,
&end
#
#  43  MET HA  43  MET QE
 &rst iat= 658, -1, r1= 0, r2= 0, r3= 4.68, r4= 5.28,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 667,668,669,
&end
#
#  43  MET QB  43  MET QE
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.6448, r4= 6.3168,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 660,661,
igr2= 667,668,669,
&end
#
#  43  MET QG  43  MET QE
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.1072, r4= 5.7792,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 663,664,
igr2= 667,668,669,
&end
#
#  43  MET H  44  PHE H
 &rst iat= 656,673, r1= 0, r2= 0, r3= 3.2, r4= 3.7,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  43  MET HA  44  PHE QB
 &rst iat= 658, -1, r1= 0, r2= 0, r3= 6.16, r4= 6.72,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 677,678,
&end
#
#  43  MET QB  44  PHE H
 &rst iat= -1,673, r1= 0, r2= 0, r3= 4.816, r4= 5.376,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 660,661,
&end
#
#  43  MET QB  44  PHE QB
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.77024, r4= 6.39744,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 660,661,
igr2= 677,678,
&end
#
#  43  MET QG  44  PHE H
 &rst iat= -1,673, r1= 0, r2= 0, r3= 5.6, r4= 6.16,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 663,664,
&end
#
#  43  MET QE  44  PHE H
 &rst iat= -1,673, r1= 0, r2= 0, r3= 5.28, r4= 5.88,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 667,668,669,
&end
#
#  43  MET QE  48  VAL QG
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 7.614, r4= 8.424,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 667,668,669,
igr2= 740,741,742,744,745,746,
&end
#
#  44  PHE H  44  PHE QD
 &rst iat= 673, -1, r1= 0, r2= 0, r3= 5.712, r4= 6.272,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 681,689,
&end
#
#  44  PHE HA  44  PHE QD
 &rst iat= 675, -1, r1= 0, r2= 0, r3= 5.6, r4= 6.16,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 681,689,
&end
#
#  44  PHE QB  44  PHE QD
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 4.51584, r4= 5.14304,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 677,678,
igr2= 681,689,
&end
#
#  44  PHE QB  44  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= 677,678,
igr2= 683,687,
&end
#
#  44  PHE H  45  ASP H
 &rst iat= 673,693, r1= 0, r2= 0, r3= 4.5, r4= 5,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  44  PHE HA  45  ASP H
 &rst iat= 675,693, r1= 0, r2= 0, r3= 3.3, r4= 3.8,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  44  PHE QB  45  ASP H
 &rst iat= -1,693, r1= 0, r2= 0, r3= 4.368, r4= 4.928,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 677,678,
&end
#
#  44  PHE HZ  45  ASP H
 &rst iat= 685,693, r1= 0, r2= 0, r3= 5.2, r4= 5.7,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  44  PHE HA  46  GLY H
 &rst iat= 675,705, r1= 0, r2= 0, r3= 4.9, r4= 5.4,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  44  PHE QB  46  GLY H
 &rst iat= -1,705, r1= 0, r2= 0, r3= 5.6, r4= 6.16,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 677,678,
&end
#
#  44  PHE QD  46  GLY QA
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.89568, r4= 6.52288,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 681,689,
igr2= 707,708,
&end
#
#  44  PHE QE  46  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= 683,687,
igr2= 707,708,
&end
#
#  44  PHE H  48  VAL QG
 &rst iat= 673, -1, r1= 0, r2= 0, r3= 7.425, r4= 8.1,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 740,741,742,744,745,746,
&end
#
#  44  PHE QB  48  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= 677,678,
igr2= 740,741,742,744,745,746,
&end
#
#  44  PHE QD  48  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= 681,689,
igr2= 740,741,742,744,745,746,
&end
#
#  44  PHE QE  48  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= 683,687,
igr2= 740,741,742,744,745,746,
&end
#
#  45  ASP H  45  ASP QB
 &rst iat= 693, -1, r1= 0, r2= 0, r3= 4.144, r4= 4.704,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 697,698,
&end
#
#  45  ASP HA  45  ASP QB
 &rst iat= 695, -1, r1= 0, r2= 0, r3= 3.36, r4= 3.92,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 697,698,
&end
#
#  45  ASP H  46  GLY H
 &rst iat= 693,705, r1= 0, r2= 0, r3= 4.4, r4= 4.9,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  45  ASP HA  46  GLY H
 &rst iat= 695,705, r1= 0, r2= 0, r3= 3.1, r4= 3.6,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  45  ASP HA  46  GLY QA
 &rst iat= 695, -1, r1= 0, r2= 0, r3= 4.704, r4= 5.264,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 707,708,
&end
#
#  45  ASP QB  46  GLY H
 &rst iat= -1,705, r1= 0, r2= 0, r3= 5.152, r4= 5.712,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 697,698,
&end
#
#  45  ASP QB  46  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= 697,698,
igr2= 707,708,
&end
#
#  45  ASP H  48  VAL QG
 &rst iat= 693, -1, r1= 0, r2= 0, r3= 6.75, r4= 7.425,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 740,741,742,744,745,746,
&end
#
#  46  GLY H  47  LYS H
 &rst iat= 705,712, r1= 0, r2= 0, r3= 4.3, r4= 4.8,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  46  GLY H  47  LYS QG
 &rst iat= 705, -1, r1= 0, r2= 0, r3= 5.824, r4= 6.384,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 719,720,
&end
#
#  46  GLY QA  47  LYS H
 &rst iat= -1,712, r1= 0, r2= 0, r3= 3.136, r4= 3.696,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 707,708,
&end
#
#  46  GLY QA  47  LYS QB
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.14656, r4= 6.77376,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 707,708,
igr2= 716,717,
&end
#
#  46  GLY QA  47  LYS QG
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 4.89216, r4= 5.51936,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 707,708,
igr2= 719,720,
&end
#
#  46  GLY QA  47  LYS QD
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.02112, r4= 6.64832,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 707,708,
igr2= 722,723,
&end
#
#  46  GLY QA  48  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= 707,708,
igr2= 740,741,742,744,745,746,
&end
#
#  47  LYS H  47  LYS QB
 &rst iat= 712, -1, r1= 0, r2= 0, r3= 3.808, r4= 4.368,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 716,717,
&end
#
#  47  LYS H  47  LYS QG
 &rst iat= 712, -1, r1= 0, r2= 0, r3= 4.032, r4= 4.592,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 719,720,
&end
#
#  47  LYS H  47  LYS QE
 &rst iat= 712, -1, r1= 0, r2= 0, r3= 5.712, r4= 6.272,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 725,726,
&end
#
#  47  LYS HA  47  LYS QG
 &rst iat= 714, -1, r1= 0, r2= 0, r3= 4.256, r4= 4.816,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 719,720,
&end
#
#  47  LYS QB  47  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= 716,717,
igr2= 722,723,
&end
#
#  47  LYS QB  47  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= 716,717,
igr2= 725,726,
&end
#
#  47  LYS QG  47  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= 719,720,
igr2= 725,726,
&end
#
#  47  LYS QD  47  LYS QE
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 3.38688, r4= 4.01408,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 722,723,
igr2= 725,726,
&end
#
#  47  LYS H  48  VAL HA
 &rst iat= 712,736, r1= 0, r2= 0, r3= 5.2, r4= 5.7,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  47  LYS QB  48  VAL H
 &rst iat= -1,734, r1= 0, r2= 0, r3= 4.368, r4= 4.928,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 716,717,
&end
#
#  47  LYS QB  48  VAL HA
 &rst iat= -1,736, r1= 0, r2= 0, r3= 5.6, r4= 6.16,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 716,717,
&end
#
#  47  LYS QG  48  VAL H
 &rst iat= -1,734, r1= 0, r2= 0, r3= 5.264, r4= 5.824,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 719,720,
&end
#
#  47  LYS QD  48  VAL H
 &rst iat= -1,734, r1= 0, r2= 0, r3= 5.04, r4= 5.6,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 722,723,
&end
#
#  47  LYS QD  48  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= 722,723,
igr2= 740,741,742,744,745,746,
&end
#
#  48  VAL H  48  VAL HB
 &rst iat= 734,738, r1= 0, r2= 0, r3= 4, r4= 4.5,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  48  VAL H  48  VAL QG
 &rst iat= 734, -1, r1= 0, r2= 0, r3= 4.05, r4= 4.725,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 740,741,742,744,745,746,
&end
#
#  48  VAL HA  48  VAL QG
 &rst iat= 736, -1, r1= 0, r2= 0, r3= 4.185, r4= 4.86,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 740,741,742,744,745,746,
&end
#
#  48  VAL H  49  PRO QD
 &rst iat= 734, -1, r1= 0, r2= 0, r3= 5.488, r4= 6.048,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 751,752,
&end
#
#  48  VAL HA  49  PRO QG
 &rst iat= 736, -1, r1= 0, r2= 0, r3= 5.04, r4= 5.6,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 754,755,
&end
#
#  48  VAL HA  49  PRO QD
 &rst iat= 736, -1, r1= 0, r2= 0, r3= 3.36, r4= 3.92,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 751,752,
&end
#
#  48  VAL HB  49  PRO QD
 &rst iat= 738, -1, r1= 0, r2= 0, r3= 3.92, r4= 4.48,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 751,752,
&end
#
#  48  VAL QG  49  PRO HA
 &rst iat= -1,760, r1= 0, r2= 0, r3= 6.615, r4= 7.29,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 740,741,742,744,745,746,
&end
#
#  48  VAL QG  49  PRO QG
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 8.1648, r4= 8.9208,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 740,741,742,744,745,746,
igr2= 754,755,
&end
#
#  48  VAL QG  49  PRO QD
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.5944, r4= 6.3504,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 740,741,742,744,745,746,
igr2= 751,752,
&end
#
#  48  VAL QG  50  HIS HD2
 &rst iat= -1,777, r1= 0, r2= 0, r3= 4.995, r4= 5.67,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 740,741,742,744,745,746,
&end
#
#  48  VAL QG  50  HIS HE1
 &rst iat= -1,773, r1= 0, r2= 0, r3= 7.425, r4= 8.1,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 740,741,742,744,745,746,
&end
#
#  49  PRO HA  50  HIS H
 &rst iat= 760,764, r1= 0, r2= 0, r3= 3.1, r4= 3.6,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  49  PRO QB  50  HIS H
 &rst iat= -1,764, r1= 0, r2= 0, r3= 4.704, r4= 5.264,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 757,758,
&end
#
#  49  PRO QB  51  TRP HD1
 &rst iat= -1,789, r1= 0, r2= 0, r3= 5.488, r4= 6.048,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 757,758,
&end
#
#  49  PRO QB  51  TRP HE1
 &rst iat= -1,791, r1= 0, r2= 0, r3= 5.264, r4= 5.824,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 757,758,
&end
#
#  49  PRO QB  51  TRP HZ2
 &rst iat= -1,794, r1= 0, r2= 0, r3= 5.376, r4= 5.936,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 757,758,
&end
#
#  49  PRO QG  51  TRP HD1
 &rst iat= -1,789, r1= 0, r2= 0, r3= 5.488, r4= 6.048,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 754,755,
&end
#
#  49  PRO QG  51  TRP HE1
 &rst iat= -1,791, r1= 0, r2= 0, r3= 4.48, r4= 5.04,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 754,755,
&end
#
#  49  PRO QG  51  TRP HZ2
 &rst iat= -1,794, r1= 0, r2= 0, r3= 5.264, r4= 5.824,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 754,755,
&end
#
#  49  PRO QD  51  TRP HE1
 &rst iat= -1,791, r1= 0, r2= 0, r3= 5.6, r4= 6.16,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 751,752,
&end
#
#  50  HIS H  50  HIS QB
 &rst iat= 764, -1, r1= 0, r2= 0, r3= 4.592, r4= 5.152,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 768,769,
&end
#
#  50  HIS H  50  HIS HD2
 &rst iat= 764,777, r1= 0, r2= 0, r3= 4.8, r4= 5.3,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  50  HIS HA  50  HIS HD2
 &rst iat= 766,777, r1= 0, r2= 0, r3= 3.9, r4= 4.4,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  50  HIS H  51  TRP H
 &rst iat= 764,781, r1= 0, r2= 0, r3= 5.2, r4= 5.7,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  50  HIS HA  51  TRP H
 &rst iat= 766,781, r1= 0, r2= 0, r3= 3.1, r4= 3.6,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  50  HIS HA  51  TRP HD1
 &rst iat= 766,789, r1= 0, r2= 0, r3= 5.1, r4= 5.6,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  50  HIS HD2  51  TRP H
 &rst iat= 777,781, r1= 0, r2= 0, r3= 5, r4= 5.5,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  50  HIS H  52  TYR QE
 &rst iat= 764, -1, r1= 0, r2= 0, r3= 5.936, r4= 6.496,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 815,820,
&end
#
#  50  HIS QB  52  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= 768,769,
igr2= 815,820,
&end
#
#  51  TRP H  51  TRP QB
 &rst iat= 781, -1, r1= 0, r2= 0, r3= 4.144, r4= 4.704,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 785,786,
&end
#
#  51  TRP H  51  TRP HD1
 &rst iat= 781,789, r1= 0, r2= 0, r3= 4.5, r4= 5,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  51  TRP HA  51  TRP HD1
 &rst iat= 783,789, r1= 0, r2= 0, r3= 5.4, r4= 5.9,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  51  TRP HA  51  TRP HE3
 &rst iat= 783,800, r1= 0, r2= 0, r3= 4, r4= 4.5,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  51  TRP H  52  TYR H
 &rst iat= 781,805, r1= 0, r2= 0, r3= 4.9, r4= 5.4,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  51  TRP H  52  TYR QD
 &rst iat= 781, -1, r1= 0, r2= 0, r3= 5.824, r4= 6.384,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 813,822,
&end
#
#  51  TRP HA  52  TYR H
 &rst iat= 783,805, r1= 0, r2= 0, r3= 3.4, r4= 3.9,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  51  TRP HA  52  TYR QB
 &rst iat= 783, -1, r1= 0, r2= 0, r3= 6.048, r4= 6.608,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 809,810,
&end
#
#  51  TRP HA  52  TYR QD
 &rst iat= 783, -1, r1= 0, r2= 0, r3= 5.712, r4= 6.272,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 813,822,
&end
#
#  51  TRP QB  52  TYR H
 &rst iat= -1,805, r1= 0, r2= 0, r3= 4.48, r4= 5.04,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 785,786,
&end
#
#  51  TRP HE3  52  TYR H
 &rst iat= 800,805, r1= 0, r2= 0, r3= 4.7, r4= 5.2,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  52  TYR HA  52  TYR QD
 &rst iat= 807, -1, r1= 0, r2= 0, r3= 5.04, r4= 5.6,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 813,822,
&end
#
#  52  TYR QB  52  TYR QE
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.14656, r4= 6.77376,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 809,810,
igr2= 815,820,
&end
#
#  52  TYR HA  53  HIS H
 &rst iat= 807,826, r1= 0, r2= 0, r3= 3.3, r4= 3.8,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  52  TYR QB  53  HIS H
 &rst iat= -1,826, r1= 0, r2= 0, r3= 4.144, r4= 4.704,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 809,810,
&end
#
#  52  TYR QB  56  CYS QB
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 4.64128, r4= 5.26848,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 809,810,
igr2= 879,878,
&end
#
#  52  TYR QD  56  CYS QB
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.51936, r4= 6.14656,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 813,822,
igr2= 879,878,
&end
#
#  52  TYR QB  57  PHE HA
 &rst iat= -1,886, r1= 0, r2= 0, r3= 5.6, r4= 6.16,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 809,810,
&end
#
#  52  TYR QE  57  PHE HA
 &rst iat= -1,886, r1= 0, r2= 0, r3= 5.712, r4= 6.272,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 815,820,
&end
#
#  52  TYR QD  60  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= 813,822,
igr2= 956,957,958,960,961,962,
&end
#
#  52  TYR QE  60  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= 815,820,
igr2= 956,957,958,960,961,962,
&end
#
#  53  HIS H  53  HIS QB
 &rst iat= 826, -1, r1= 0, r2= 0, r3= 4.368, r4= 4.928,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 830,831,
&end
#
#  53  HIS HA  53  HIS HD2
 &rst iat= 828,839, r1= 0, r2= 0, r3= 4.3, r4= 4.8,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  53  HIS HA  54  PHE H
 &rst iat= 828,843, r1= 0, r2= 0, r3= 3.2, r4= 3.7,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  53  HIS HA  54  PHE HA
 &rst iat= 828,845, r1= 0, r2= 0, r3= 4.7, r4= 5.2,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  53  HIS HA  54  PHE QB
 &rst iat= 828, -1, r1= 0, r2= 0, r3= 5.264, r4= 5.824,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 847,848,
&end
#
#  53  HIS QB  54  PHE H
 &rst iat= -1,843, r1= 0, r2= 0, r3= 4.704, r4= 5.264,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 830,831,
&end
#
#  53  HIS QB  55  SER H
 &rst iat= -1,863, r1= 0, r2= 0, r3= 4.816, r4= 5.376,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 830,831,
&end
#
#  53  HIS QB  55  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= 830,831,
igr2= 867,868,
&end
#
#  53  HIS H  56  CYS H
 &rst iat= 826,874, r1= 0, r2= 0, r3= 4.9, r4= 5.4,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  53  HIS H  56  CYS QB
 &rst iat= 826, -1, r1= 0, r2= 0, r3= 4.592, r4= 5.152,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 879,878,
&end
#
#  53  HIS QB  56  CYS H
 &rst iat= -1,874, r1= 0, r2= 0, r3= 4.032, r4= 4.592,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 830,831,
&end
#
#  53  HIS QB  56  CYS QB
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.77024, r4= 6.39744,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 830,831,
igr2= 879,878,
&end
#
#  53  HIS QB  57  PHE H
 &rst iat= -1,884, r1= 0, r2= 0, r3= 5.936, r4= 6.496,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 830,831,
&end
#
#  54  PHE H  54  PHE QB
 &rst iat= 843, -1, r1= 0, r2= 0, r3= 3.92, r4= 4.48,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 847,848,
&end
#
#  54  PHE H  54  PHE QD
 &rst iat= 843, -1, r1= 0, r2= 0, r3= 5.488, r4= 6.048,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 851,859,
&end
#
#  54  PHE HA  54  PHE QD
 &rst iat= 845, -1, r1= 0, r2= 0, r3= 4.144, r4= 4.704,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 851,859,
&end
#
#  54  PHE H  55  SER H
 &rst iat= 843,863, r1= 0, r2= 0, r3= 3.8, r4= 4.3,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  54  PHE QB  55  SER H
 &rst iat= -1,863, r1= 0, r2= 0, r3= 4.032, r4= 4.592,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 847,848,
&end
#
#  54  PHE QB  55  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= 847,848,
igr2= 867,868,
&end
#
#  54  PHE QD  55  SER HA
 &rst iat= -1,865, r1= 0, r2= 0, r3= 5.712, r4= 6.272,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 851,859,
&end
#
#  54  PHE QE  55  SER HA
 &rst iat= -1,865, r1= 0, r2= 0, r3= 6.16, r4= 6.72,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 853,857,
&end
#
#  54  PHE H  56  CYS H
 &rst iat= 843,874, r1= 0, r2= 0, r3= 4.8, r4= 5.3,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  54  PHE HA  58  TRP HE1
 &rst iat= 845,914, r1= 0, r2= 0, r3= 5.4, r4= 5.9,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  54  PHE QD  58  TRP HE1
 &rst iat= -1,914, r1= 0, r2= 0, r3= 4.928, r4= 5.488,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 851,859,
&end
#
#  54  PHE QD  58  TRP HZ2
 &rst iat= -1,917, r1= 0, r2= 0, r3= 5.712, r4= 6.272,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 851,859,
&end
#
#  54  PHE QE  58  TRP HE1
 &rst iat= -1,914, r1= 0, r2= 0, r3= 4.592, r4= 5.152,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 853,857,
&end
#
#  54  PHE QE  58  TRP HZ2
 &rst iat= -1,917, r1= 0, r2= 0, r3= 4.816, r4= 5.376,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 853,857,
&end
#
#  54  PHE HZ  58  TRP HD1
 &rst iat= 855,912, r1= 0, r2= 0, r3= 5.1, r4= 5.6,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  54  PHE HZ  58  TRP HE1
 &rst iat= 855,914, r1= 0, r2= 0, r3= 5.1, r4= 5.6,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  54  PHE QD  84  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= 851,859,
igr2= 1334,1335,
&end
#
#  54  PHE QE  84  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= 853,857,
igr2= 1328,1329,
&end
#
#  54  PHE QE  84  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= 853,857,
igr2= 1331,1332,
&end
#
#  54  PHE QE  84  LYS QD
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.64832, r4= 7.27552,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 853,857,
igr2= 1334,1335,
&end
#
#  54  PHE QE  84  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= 853,857,
igr2= 1337,1338,
&end
#
#  54  PHE HZ  84  LYS QD
 &rst iat= 855, -1, r1= 0, r2= 0, r3= 5.6, r4= 6.16,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1334,1335,
&end
#
#  54  PHE QD  85  VAL HA
 &rst iat= -1,1348, r1= 0, r2= 0, r3= 5.6, r4= 6.16,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 851,859,
&end
#
#  54  PHE QD  85  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= 851,859,
igr2= 1352,1353,1354,1356,1357,1358,
&end
#
#  54  PHE QE  85  VAL HA
 &rst iat= -1,1348, r1= 0, r2= 0, r3= 4.48, r4= 5.04,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 853,857,
&end
#
#  54  PHE QE  85  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= 853,857,
igr2= 1352,1353,1354,1356,1357,1358,
&end
#
#  54  PHE HZ  85  VAL HA
 &rst iat= 855,1348, r1= 0, r2= 0, r3= 3.9, r4= 4.4,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  54  PHE HZ  85  VAL QG
 &rst iat= 855, -1, r1= 0, r2= 0, r3= 5.4, r4= 6.075,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1352,1353,1354,1356,1357,1358,
&end
#
#  54  PHE QE  88  THR HB
 &rst iat= -1,1410, r1= 0, r2= 0, r3= 5.152, r4= 5.712,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 853,857,
&end
#
#  54  PHE QE  88  THR QG2
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.5104, r4= 6.1824,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 853,857,
igr2= 1412,1413,1414,
&end
#
#  54  PHE HZ  88  THR HB
 &rst iat= 855,1410, r1= 0, r2= 0, r3= 4.7, r4= 5.2,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  54  PHE HZ  88  THR QG2
 &rst iat= 855, -1, r1= 0, r2= 0, r3= 5.28, r4= 5.88,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1412,1413,1414,
&end
#
#  55  SER H  55  SER QB
 &rst iat= 863, -1, r1= 0, r2= 0, r3= 3.584, r4= 4.144,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 867,868,
&end
#
#  55  SER H  56  CYS H
 &rst iat= 863,874, r1= 0, r2= 0, r3= 3.5, r4= 4,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  55  SER H  56  CYS HA
 &rst iat= 863,876, r1= 0, r2= 0, r3= 5, r4= 5.5,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  55  SER QB  56  CYS H
 &rst iat= -1,874, r1= 0, r2= 0, r3= 4.256, r4= 4.816,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 867,868,
&end
#
#  55  SER H  57  PHE H
 &rst iat= 863,884, r1= 0, r2= 0, r3= 5, r4= 5.5,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  55  SER HA  58  TRP H
 &rst iat= 865,904, r1= 0, r2= 0, r3= 4.6, r4= 5.1,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  55  SER HA  58  TRP QB
 &rst iat= 865, -1, r1= 0, r2= 0, r3= 5.376, r4= 5.936,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 908,909,
&end
#
#  55  SER HA  58  TRP HD1
 &rst iat= 865,912, r1= 0, r2= 0, r3= 3.5, r4= 4,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  55  SER HA  58  TRP HE1
 &rst iat= 865,914, r1= 0, r2= 0, r3= 4.9, r4= 5.4,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  55  SER HA  94  VAL H
 &rst iat= 865,1469, r1= 0, r2= 0, r3= 5.1, r4= 5.6,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  55  SER HA  94  VAL QG
 &rst iat= 865, -1, r1= 0, r2= 0, r3= 6.345, r4= 7.02,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1475,1476,1477,1479,1480,1481,
&end
#
#  56  CYS H  56  CYS QB
 &rst iat= 874, -1, r1= 0, r2= 0, r3= 3.92, r4= 4.48,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 879,878,
&end
#
#  56  CYS H  57  PHE H
 &rst iat= 874,884, r1= 0, r2= 0, r3= 3.4, r4= 3.9,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  56  CYS QB  57  PHE H
 &rst iat= -1,884, r1= 0, r2= 0, r3= 4.256, r4= 4.816,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 879,878,
&end
#
#  56  CYS QB  57  PHE QB
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.272, r4= 6.8992,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 879,878,
igr2= 888,889,
&end
#
#  56  CYS HA  58  TRP H
 &rst iat= 876,904, r1= 0, r2= 0, r3= 4.9, r4= 5.4,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  56  CYS HA  59  LYS H
 &rst iat= 876,928, r1= 0, r2= 0, r3= 4.2, r4= 4.7,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  56  CYS HA  59  LYS QB
 &rst iat= 876, -1, r1= 0, r2= 0, r3= 4.928, r4= 5.488,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 932,933,
&end
#
#  56  CYS HA  59  LYS QG
 &rst iat= 876, -1, r1= 0, r2= 0, r3= 4.48, r4= 5.04,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 935,936,
&end
#
#  56  CYS HA  59  LYS QD
 &rst iat= 876, -1, r1= 0, r2= 0, r3= 5.376, r4= 5.936,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 938,939,
&end
#
#  56  CYS HA  59  LYS QE
 &rst iat= 876, -1, r1= 0, r2= 0, r3= 5.376, r4= 5.936,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 941,942,
&end
#
#  56  CYS QB  59  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= 879,878,
igr2= 935,936,
&end
#
#  57  PHE H  57  PHE QB
 &rst iat= 884, -1, r1= 0, r2= 0, r3= 3.92, r4= 4.48,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 888,889,
&end
#
#  57  PHE HA  57  PHE QD
 &rst iat= 886, -1, r1= 0, r2= 0, r3= 5.04, r4= 5.6,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 892,900,
&end
#
#  57  PHE H  58  TRP H
 &rst iat= 884,904, r1= 0, r2= 0, r3= 3.6, r4= 4.1,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  57  PHE QB  58  TRP H
 &rst iat= -1,904, r1= 0, r2= 0, r3= 4.368, r4= 4.928,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 888,889,
&end
#
#  57  PHE QB  58  TRP HD1
 &rst iat= -1,912, r1= 0, r2= 0, r3= 5.712, r4= 6.272,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 888,889,
&end
#
#  57  PHE QB  58  TRP HE1
 &rst iat= -1,914, r1= 0, r2= 0, r3= 5.824, r4= 6.384,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 888,889,
&end
#
#  57  PHE QD  58  TRP H
 &rst iat= -1,904, r1= 0, r2= 0, r3= 5.488, r4= 6.048,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 892,900,
&end
#
#  57  PHE QD  58  TRP QB
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.8992, r4= 7.5264,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 892,900,
igr2= 908,909,
&end
#
#  57  PHE QE  58  TRP HA
 &rst iat= -1,906, r1= 0, r2= 0, r3= 5.824, r4= 6.384,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 894,898,
&end
#
#  57  PHE QE  58  TRP HE3
 &rst iat= -1,923, r1= 0, r2= 0, r3= 6.16, r4= 6.72,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 894,898,
&end
#
#  57  PHE H  59  LYS H
 &rst iat= 884,928, r1= 0, r2= 0, r3= 4.8, r4= 5.3,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  57  PHE HA  59  LYS H
 &rst iat= 886,928, r1= 0, r2= 0, r3= 4.8, r4= 5.3,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  57  PHE H  60  VAL H
 &rst iat= 884,950, r1= 0, r2= 0, r3= 4.8, r4= 5.3,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  57  PHE H  60  VAL QG
 &rst iat= 884, -1, r1= 0, r2= 0, r3= 6.345, r4= 7.02,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 956,957,958,960,961,962,
&end
#
#  57  PHE HA  60  VAL H
 &rst iat= 886,950, r1= 0, r2= 0, r3= 4.7, r4= 5.2,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  57  PHE HA  60  VAL HB
 &rst iat= 886,954, r1= 0, r2= 0, r3= 4.9, r4= 5.4,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  57  PHE HA  60  VAL QG
 &rst iat= 886, -1, r1= 0, r2= 0, r3= 4.86, r4= 5.535,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 956,957,958,960,961,962,
&end
#
#  57  PHE QB  60  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= 888,889,
igr2= 956,957,958,960,961,962,
&end
#
#  57  PHE QD  60  VAL H
 &rst iat= -1,950, r1= 0, r2= 0, r3= 5.824, r4= 6.384,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 892,900,
&end
#
#  57  PHE QE  64  ILE HB
 &rst iat= -1,1005, r1= 0, r2= 0, r3= 5.936, r4= 6.496,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 894,898,
&end
#
#  57  PHE QE  64  ILE QD1
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 4.9728, r4= 5.6448,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 894,898,
igr2= 1014,1015,1016,
&end
#
#  57  PHE HZ  64  ILE QD1
 &rst iat= 896, -1, r1= 0, r2= 0, r3= 4.32, r4= 4.92,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1014,1015,1016,
&end
#
#  57  PHE QD  88  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= 892,900,
igr2= 1412,1413,1414,
&end
#
#  58  TRP H  58  TRP QB
 &rst iat= 904, -1, r1= 0, r2= 0, r3= 4.032, r4= 4.592,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 908,909,
&end
#
#  58  TRP H  58  TRP HD1
 &rst iat= 904,912, r1= 0, r2= 0, r3= 3.6, r4= 4.1,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  58  TRP H  58  TRP HE1
 &rst iat= 904,914, r1= 0, r2= 0, r3= 4.9, r4= 5.4,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  58  TRP HA  58  TRP HE3
 &rst iat= 906,923, r1= 0, r2= 0, r3= 3.8, r4= 4.3,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  58  TRP HA  58  TRP HZ3
 &rst iat= 906,921, r1= 0, r2= 0, r3= 5.4, r4= 5.9,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  58  TRP QB  58  TRP HE1
 &rst iat= -1,914, r1= 0, r2= 0, r3= 5.712, r4= 6.272,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 908,909,
&end
#
#  58  TRP H  59  LYS H
 &rst iat= 904,928, r1= 0, r2= 0, r3= 3.6, r4= 4.1,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  58  TRP H  59  LYS QB
 &rst iat= 904, -1, r1= 0, r2= 0, r3= 5.6, r4= 6.16,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 932,933,
&end
#
#  58  TRP QB  59  LYS H
 &rst iat= -1,928, r1= 0, r2= 0, r3= 4.928, r4= 5.488,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 908,909,
&end
#
#  58  TRP HA  60  VAL H
 &rst iat= 906,950, r1= 0, r2= 0, r3= 4.5, r4= 5,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  58  TRP HA  60  VAL QG
 &rst iat= 906, -1, r1= 0, r2= 0, r3= 7.155, r4= 7.83,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 956,957,958,960,961,962,
&end
#
#  58  TRP HA  61  GLY H
 &rst iat= 906,966, r1= 0, r2= 0, r3= 4.8, r4= 5.3,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  58  TRP HZ3  63  SER HA
 &rst iat= 921,992, r1= 0, r2= 0, r3= 5.5, r4= 6,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  58  TRP HZ3  64  ILE HB
 &rst iat= 921,1005, r1= 0, r2= 0, r3= 4.4, r4= 4.9,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  58  TRP HZ2  64  ILE QG2
 &rst iat= 917, -1, r1= 0, r2= 0, r3= 6.6, r4= 7.2,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1007,1008,1009,
&end
#
#  58  TRP HZ3  64  ILE QG1
 &rst iat= 921, -1, r1= 0, r2= 0, r3= 6.16, r4= 6.72,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1011,1012,
&end
#
#  58  TRP HH2  64  ILE HB
 &rst iat= 919,1005, r1= 0, r2= 0, r3= 4.5, r4= 5,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  58  TRP HH2  64  ILE QG2
 &rst iat= 919, -1, r1= 0, r2= 0, r3= 5.28, r4= 5.88,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1007,1008,1009,
&end
#
#  58  TRP HH2  64  ILE QD1
 &rst iat= 919, -1, r1= 0, r2= 0, r3= 4.56, r4= 5.16,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1014,1015,1016,
&end
#
#  58  TRP HE1  85  VAL QG
 &rst iat= 914, -1, r1= 0, r2= 0, r3= 7.155, r4= 7.83,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1352,1353,1354,1356,1357,1358,
&end
#
#  58  TRP HZ2  85  VAL HA
 &rst iat= 917,1348, r1= 0, r2= 0, r3= 4.3, r4= 4.8,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  58  TRP HZ2  85  VAL QG
 &rst iat= 917, -1, r1= 0, r2= 0, r3= 5.13, r4= 5.805,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1352,1353,1354,1356,1357,1358,
&end
#
#  58  TRP HH2  85  VAL HA
 &rst iat= 919,1348, r1= 0, r2= 0, r3= 5, r4= 5.5,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  58  TRP HH2  85  VAL QG
 &rst iat= 919, -1, r1= 0, r2= 0, r3= 6.075, r4= 6.75,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1352,1353,1354,1356,1357,1358,
&end
#
#  58  TRP HA  88  THR QG2
 &rst iat= 906, -1, r1= 0, r2= 0, r3= 6.24, r4= 6.84,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1412,1413,1414,
&end
#
#  58  TRP QB  88  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= 908,909,
igr2= 1412,1413,1414,
&end
#
#  58  TRP HD1  88  THR QG2
 &rst iat= 912, -1, r1= 0, r2= 0, r3= 4.56, r4= 5.16,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1412,1413,1414,
&end
#
#  58  TRP HE1  88  THR HB
 &rst iat= 914,1410, r1= 0, r2= 0, r3= 5, r4= 5.5,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  58  TRP HE1  88  THR QG2
 &rst iat= 914, -1, r1= 0, r2= 0, r3= 4.56, r4= 5.16,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1412,1413,1414,
&end
#
#  58  TRP HE3  88  THR QG2
 &rst iat= 923, -1, r1= 0, r2= 0, r3= 5.88, r4= 6.48,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1412,1413,1414,
&end
#
#  58  TRP HZ2  88  THR H
 &rst iat= 917,1406, r1= 0, r2= 0, r3= 5.5, r4= 6,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  58  TRP HZ2  88  THR HB
 &rst iat= 917,1410, r1= 0, r2= 0, r3= 5.3, r4= 5.8,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  58  TRP HZ2  88  THR QG2
 &rst iat= 917, -1, r1= 0, r2= 0, r3= 5.4, r4= 6,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1412,1413,1414,
&end
#
#  58  TRP HE3  89  ALA HA
 &rst iat= 923,1422, r1= 0, r2= 0, r3= 5.3, r4= 5.8,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  58  TRP HE3  89  ALA QB
 &rst iat= 923, -1, r1= 0, r2= 0, r3= 6.24, r4= 6.84,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1424,1425,1426,
&end
#
#  58  TRP HZ2  89  ALA H
 &rst iat= 917,1420, r1= 0, r2= 0, r3= 5.1, r4= 5.6,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  58  TRP HZ3  89  ALA HA
 &rst iat= 921,1422, r1= 0, r2= 0, r3= 4, r4= 4.5,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  58  TRP HZ2  89  ALA QB
 &rst iat= 917, -1, r1= 0, r2= 0, r3= 4.56, r4= 5.16,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1424,1425,1426,
&end
#
#  58  TRP HH2  89  ALA HA
 &rst iat= 919,1422, r1= 0, r2= 0, r3= 4.2, r4= 4.7,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  58  TRP HH2  89  ALA QB
 &rst iat= 919, -1, r1= 0, r2= 0, r3= 4.44, r4= 5.04,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1424,1425,1426,
&end
#
#  58  TRP HE3  92  GLY QA
 &rst iat= 923, -1, r1= 0, r2= 0, r3= 5.04, r4= 5.6,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1457,1458,
&end
#
#  58  TRP QB  93  GLY H
 &rst iat= -1,1462, r1= 0, r2= 0, r3= 5.6, r4= 6.16,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 908,909,
&end
#
#  58  TRP QB  93  GLY QA
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.39392, r4= 6.02112,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 908,909,
igr2= 1464,1465,
&end
#
#  58  TRP HE3  93  GLY H
 &rst iat= 923,1462, r1= 0, r2= 0, r3= 5.3, r4= 5.8,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  58  TRP QB  94  VAL H
 &rst iat= -1,1469, r1= 0, r2= 0, r3= 5.488, r4= 6.048,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 908,909,
&end
#
#  58  TRP HD1  94  VAL QG
 &rst iat= 912, -1, r1= 0, r2= 0, r3= 6.21, r4= 6.885,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1475,1476,1477,1479,1480,1481,
&end
#
#  59  LYS H  59  LYS QB
 &rst iat= 928, -1, r1= 0, r2= 0, r3= 4.48, r4= 5.04,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 932,933,
&end
#
#  59  LYS H  59  LYS QG
 &rst iat= 928, -1, r1= 0, r2= 0, r3= 4.368, r4= 4.928,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 935,936,
&end
#
#  59  LYS H  59  LYS QD
 &rst iat= 928, -1, r1= 0, r2= 0, r3= 5.6, r4= 6.16,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 938,939,
&end
#
#  59  LYS HA  59  LYS QG
 &rst iat= 930, -1, r1= 0, r2= 0, r3= 4.144, r4= 4.704,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 935,936,
&end
#
#  59  LYS HA  59  LYS QD
 &rst iat= 930, -1, r1= 0, r2= 0, r3= 4.704, r4= 5.264,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 938,939,
&end
#
#  59  LYS HA  59  LYS QE
 &rst iat= 930, -1, r1= 0, r2= 0, r3= 5.04, r4= 5.6,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 941,942,
&end
#
#  59  LYS QB  59  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= 932,933,
igr2= 938,939,
&end
#
#  59  LYS QB  59  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= 932,933,
igr2= 941,942,
&end
#
#  59  LYS QG  59  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= 935,936,
igr2= 941,942,
&end
#
#  59  LYS H  60  VAL H
 &rst iat= 928,950, r1= 0, r2= 0, r3= 3.3, r4= 3.8,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  59  LYS H  60  VAL QG
 &rst iat= 928, -1, r1= 0, r2= 0, r3= 5.4, r4= 6.075,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 956,957,958,960,961,962,
&end
#
#  59  LYS HA  60  VAL HA
 &rst iat= 930,952, r1= 0, r2= 0, r3= 4.8, r4= 5.3,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  59  LYS HA  60  VAL QG
 &rst iat= 930, -1, r1= 0, r2= 0, r3= 7.155, r4= 7.83,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 956,957,958,960,961,962,
&end
#
#  59  LYS QB  60  VAL H
 &rst iat= -1,950, r1= 0, r2= 0, r3= 5.264, r4= 5.824,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 932,933,
&end
#
#  59  LYS QG  60  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= 935,936,
igr2= 956,957,958,960,961,962,
&end
#
#  59  LYS HA  61  GLY H
 &rst iat= 930,966, r1= 0, r2= 0, r3= 4.7, r4= 5.2,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  59  LYS QG  61  GLY H
 &rst iat= -1,966, r1= 0, r2= 0, r3= 6.16, r4= 6.72,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 935,936,
&end
#
#  60  VAL H  60  VAL HB
 &rst iat= 950,954, r1= 0, r2= 0, r3= 3.4, r4= 3.9,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  60  VAL H  60  VAL QG
 &rst iat= 950, -1, r1= 0, r2= 0, r3= 3.915, r4= 4.59,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 956,957,958,960,961,962,
&end
#
#  60  VAL HA  60  VAL QG
 &rst iat= 952, -1, r1= 0, r2= 0, r3= 4.185, r4= 4.86,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 956,957,958,960,961,962,
&end
#
#  60  VAL H  61  GLY H
 &rst iat= 950,966, r1= 0, r2= 0, r3= 3.5, r4= 4,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  60  VAL H  61  GLY QA
 &rst iat= 950, -1, r1= 0, r2= 0, r3= 5.488, r4= 6.048,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 968,969,
&end
#
#  60  VAL HB  61  GLY H
 &rst iat= 954,966, r1= 0, r2= 0, r3= 4, r4= 4.5,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  60  VAL QG  61  GLY H
 &rst iat= -1,966, r1= 0, r2= 0, r3= 6.615, r4= 7.29,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 956,957,958,960,961,962,
&end
#
#  60  VAL QG  61  GLY QA
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 7.7112, r4= 8.4672,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 956,957,958,960,961,962,
igr2= 968,969,
&end
#
#  60  VAL H  62  HIS H
 &rst iat= 950,973, r1= 0, r2= 0, r3= 5.2, r4= 5.7,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  60  VAL HB  62  HIS H
 &rst iat= 954,973, r1= 0, r2= 0, r3= 5.4, r4= 5.9,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  60  VAL HB  62  HIS HD2
 &rst iat= 954,986, r1= 0, r2= 0, r3= 5.5, r4= 6,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  60  VAL QG  62  HIS H
 &rst iat= -1,973, r1= 0, r2= 0, r3= 6.615, r4= 7.29,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 956,957,958,960,961,962,
&end
#
#  60  VAL QG  62  HIS HD2
 &rst iat= -1,986, r1= 0, r2= 0, r3= 5.67, r4= 6.345,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 956,957,958,960,961,962,
&end
#
#  62  HIS H  62  HIS QB
 &rst iat= 973, -1, r1= 0, r2= 0, r3= 4.144, r4= 4.704,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 977,978,
&end
#
#  62  HIS H  62  HIS HD2
 &rst iat= 973,986, r1= 0, r2= 0, r3= 4.6, r4= 5.1,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  62  HIS HA  62  HIS HD2
 &rst iat= 975,986, r1= 0, r2= 0, r3= 4.5, r4= 5,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  62  HIS HA  63  SER HA
 &rst iat= 975,992, r1= 0, r2= 0, r3= 4.6, r4= 5.1,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  62  HIS QB  63  SER H
 &rst iat= -1,990, r1= 0, r2= 0, r3= 5.936, r4= 6.496,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 977,978,
&end
#
#  62  HIS QB  63  SER HA
 &rst iat= -1,992, r1= 0, r2= 0, r3= 5.488, r4= 6.048,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 977,978,
&end
#
#  62  HIS QB  64  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= 977,978,
igr2= 1011,1012,
&end
#
#  62  HIS QB  64  ILE QD1
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.8544, r4= 7.5264,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 977,978,
igr2= 1014,1015,1016,
&end
#
#  63  SER HA  63  SER QB
 &rst iat= 992, -1, r1= 0, r2= 0, r3= 3.248, r4= 3.808,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 994,995,
&end
#
#  63  SER H  64  ILE H
 &rst iat= 990,1001, r1= 0, r2= 0, r3= 5.3, r4= 5.8,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  63  SER HA  64  ILE H
 &rst iat= 992,1001, r1= 0, r2= 0, r3= 3.1, r4= 3.6,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  63  SER HA  64  ILE HA
 &rst iat= 992,1003, r1= 0, r2= 0, r3= 4.8, r4= 5.3,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  63  SER HA  64  ILE HB
 &rst iat= 992,1005, r1= 0, r2= 0, r3= 4.5, r4= 5,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  63  SER HA  64  ILE QG1
 &rst iat= 992, -1, r1= 0, r2= 0, r3= 5.712, r4= 6.272,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1011,1012,
&end
#
#  63  SER QB  64  ILE H
 &rst iat= -1,1001, r1= 0, r2= 0, r3= 4.48, r4= 5.04,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 994,995,
&end
#
#  63  SER QB  64  ILE HA
 &rst iat= -1,1003, r1= 0, r2= 0, r3= 5.376, r4= 5.936,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 994,995,
&end
#
#  63  SER QB  65  ARG QD
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.272, r4= 6.8992,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 994,995,
igr2= 1030,1031,
&end
#
#  63  SER HA  89  ALA QB
 &rst iat= 992, -1, r1= 0, r2= 0, r3= 6.6, r4= 7.2,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1424,1425,1426,
&end
#
#  64  ILE H  64  ILE HB
 &rst iat= 1001,1005, r1= 0, r2= 0, r3= 3.7, r4= 4.2,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  64  ILE H  64  ILE QG1
 &rst iat= 1001, -1, r1= 0, r2= 0, r3= 5.04, r4= 5.6,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1011,1012,
&end
#
#  64  ILE H  64  ILE QG2
 &rst iat= 1001, -1, r1= 0, r2= 0, r3= 4.92, r4= 5.52,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1007,1008,1009,
&end
#
#  64  ILE HA  64  ILE QG1
 &rst iat= 1003, -1, r1= 0, r2= 0, r3= 4.48, r4= 5.04,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1011,1012,
&end
#
#  64  ILE HA  64  ILE QG2
 &rst iat= 1003, -1, r1= 0, r2= 0, r3= 3.84, r4= 4.44,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1007,1008,1009,
&end
#
#  64  ILE HA  64  ILE QD1
 &rst iat= 1003, -1, r1= 0, r2= 0, r3= 4.8, r4= 5.4,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1014,1015,1016,
&end
#
#  64  ILE HB  64  ILE QD1
 &rst iat= 1005, -1, r1= 0, r2= 0, r3= 3.84, r4= 4.44,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1014,1015,1016,
&end
#
#  64  ILE QG2  64  ILE QG1
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 4.8384, r4= 5.5104,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1007,1008,1009,
igr2= 1011,1012,
&end
#
#  64  ILE QG2  64  ILE QD1
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 4.32, r4= 5.04,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1007,1008,1009,
igr2= 1014,1015,1016,
&end
#
#  64  ILE H  65  ARG H
 &rst iat= 1001,1020, r1= 0, r2= 0, r3= 5.2, r4= 5.7,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  64  ILE H  65  ARG HA
 &rst iat= 1001,1022, r1= 0, r2= 0, r3= 4.8, r4= 5.3,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  64  ILE H  65  ARG QD
 &rst iat= 1001, -1, r1= 0, r2= 0, r3= 5.376, r4= 5.936,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1030,1031,
&end
#
#  64  ILE HA  65  ARG H
 &rst iat= 1003,1020, r1= 0, r2= 0, r3= 3.1, r4= 3.6,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  64  ILE HA  65  ARG QD
 &rst iat= 1003, -1, r1= 0, r2= 0, r3= 3.808, r4= 4.368,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1030,1031,
&end
#
#  64  ILE HB  65  ARG H
 &rst iat= 1005,1020, r1= 0, r2= 0, r3= 4.7, r4= 5.2,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  64  ILE QG1  65  ARG H
 &rst iat= -1,1020, r1= 0, r2= 0, r3= 5.264, r4= 5.824,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1011,1012,
&end
#
#  64  ILE QG2  65  ARG H
 &rst iat= -1,1020, r1= 0, r2= 0, r3= 4.08, r4= 4.68,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1007,1008,1009,
&end
#
#  64  ILE QG2  65  ARG HA
 &rst iat= -1,1022, r1= 0, r2= 0, r3= 6.24, r4= 6.84,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1007,1008,1009,
&end
#
#  64  ILE HA  66  HIS HD2
 &rst iat= 1003,1057, r1= 0, r2= 0, r3= 5.1, r4= 5.6,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  64  ILE QG2  66  HIS H
 &rst iat= -1,1044, r1= 0, r2= 0, r3= 4.44, r4= 5.04,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1007,1008,1009,
&end
#
#  64  ILE QG2  66  HIS HA
 &rst iat= -1,1046, r1= 0, r2= 0, r3= 5.28, r4= 5.88,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1007,1008,1009,
&end
#
#  64  ILE QG2  66  HIS QB
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.72, r4= 7.392,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1007,1008,1009,
igr2= 1048,1049,
&end
#
#  64  ILE QG2  66  HIS HD2
 &rst iat= -1,1057, r1= 0, r2= 0, r3= 6.6, r4= 7.2,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1007,1008,1009,
&end
#
#  64  ILE HA  67  PRO QD
 &rst iat= 1003, -1, r1= 0, r2= 0, r3= 5.936, r4= 6.496,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1062,1063,
&end
#
#  64  ILE HB  67  PRO HA
 &rst iat= 1005,1071, r1= 0, r2= 0, r3= 5.1, r4= 5.6,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  64  ILE QG2  67  PRO HA
 &rst iat= -1,1071, r1= 0, r2= 0, r3= 4.08, r4= 4.68,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1007,1008,1009,
&end
#
#  64  ILE QG2  67  PRO QB
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.2416, r4= 5.9136,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1007,1008,1009,
igr2= 1068,1069,
&end
#
#  64  ILE QG2  67  PRO QG
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.9136, r4= 6.5856,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1007,1008,1009,
igr2= 1065,1066,
&end
#
#  64  ILE QG2  67  PRO QD
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.376, r4= 6.048,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1007,1008,1009,
igr2= 1062,1063,
&end
#
#  64  ILE QD1  67  PRO HA
 &rst iat= -1,1071, r1= 0, r2= 0, r3= 6, r4= 6.6,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1014,1015,1016,
&end
#
#  64  ILE QD1  67  PRO QG
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.9888, r4= 7.6608,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1014,1015,1016,
igr2= 1065,1066,
&end
#
#  64  ILE QD1  67  PRO QD
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 7.392, r4= 8.064,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1014,1015,1016,
igr2= 1062,1063,
&end
#
#  64  ILE QG2  68  ASP H
 &rst iat= -1,1075, r1= 0, r2= 0, r3= 6.12, r4= 6.72,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1007,1008,1009,
&end
#
#  64  ILE QG2  70  GLU H
 &rst iat= -1,1103, r1= 0, r2= 0, r3= 6.6, r4= 7.2,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1007,1008,1009,
&end
#
#  64  ILE QG2  70  GLU QB
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 4.9728, r4= 5.6448,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1007,1008,1009,
igr2= 1107,1108,
&end
#
#  64  ILE QG2  70  GLU QG
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.048, r4= 6.72,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1007,1008,1009,
igr2= 1110,1111,
&end
#
#  64  ILE QD1  70  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= 1014,1015,1016,
igr2= 1107,1108,
&end
#
#  64  ILE HA  71  VAL QG
 &rst iat= 1003, -1, r1= 0, r2= 0, r3= 7.02, r4= 7.695,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1124,1125,1126,1128,1129,1130,
&end
#
#  64  ILE HB  71  VAL QG
 &rst iat= 1005, -1, r1= 0, r2= 0, r3= 7.155, r4= 7.83,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1124,1125,1126,1128,1129,1130,
&end
#
#  64  ILE QG2  71  VAL H
 &rst iat= -1,1118, r1= 0, r2= 0, r3= 4.56, r4= 5.16,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1007,1008,1009,
&end
#
#  64  ILE QG1  71  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= 1011,1012,
igr2= 1124,1125,1126,1128,1129,1130,
&end
#
#  64  ILE QG2  71  VAL QG
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.346, r4= 6.156,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1007,1008,1009,
igr2= 1124,1125,1126,1128,1129,1130,
&end
#
#  64  ILE QD1  71  VAL H
 &rst iat= -1,1118, r1= 0, r2= 0, r3= 5.76, r4= 6.36,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1014,1015,1016,
&end
#
#  64  ILE QD1  71  VAL HA
 &rst iat= -1,1120, r1= 0, r2= 0, r3= 6, r4= 6.6,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1014,1015,1016,
&end
#
#  64  ILE QD1  71  VAL HB
 &rst iat= -1,1122, r1= 0, r2= 0, r3= 5.76, r4= 6.36,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1014,1015,1016,
&end
#
#  64  ILE QD1  71  VAL QG
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.346, r4= 6.156,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1014,1015,1016,
igr2= 1124,1125,1126,1128,1129,1130,
&end
#
#  64  ILE QD1  85  VAL QG
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 8.1, r4= 8.91,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1014,1015,1016,
igr2= 1352,1353,1354,1356,1357,1358,
&end
#
#  64  ILE H  89  ALA HA
 &rst iat= 1001,1422, r1= 0, r2= 0, r3= 5, r4= 5.5,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  64  ILE H  89  ALA QB
 &rst iat= 1001, -1, r1= 0, r2= 0, r3= 5.52, r4= 6.12,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1424,1425,1426,
&end
#
#  64  ILE HA  89  ALA QB
 &rst iat= 1003, -1, r1= 0, r2= 0, r3= 5.4, r4= 6,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1424,1425,1426,
&end
#
#  64  ILE HB  89  ALA H
 &rst iat= 1005,1420, r1= 0, r2= 0, r3= 5.5, r4= 6,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  64  ILE HB  89  ALA HA
 &rst iat= 1005,1422, r1= 0, r2= 0, r3= 4.4, r4= 4.9,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  64  ILE HB  89  ALA QB
 &rst iat= 1005, -1, r1= 0, r2= 0, r3= 3.96, r4= 4.56,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1424,1425,1426,
&end
#
#  64  ILE QG2  89  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= 1007,1008,1009,
igr2= 1424,1425,1426,
&end
#
#  64  ILE QD1  89  ALA HA
 &rst iat= -1,1422, r1= 0, r2= 0, r3= 5.04, r4= 5.64,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1014,1015,1016,
&end
#
#  64  ILE QD1  89  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= 1014,1015,1016,
igr2= 1424,1425,1426,
&end
#
#  65  ARG H  65  ARG QB
 &rst iat= 1020, -1, r1= 0, r2= 0, r3= 4.144, r4= 4.704,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1024,1025,
&end
#
#  65  ARG H  65  ARG QG
 &rst iat= 1020, -1, r1= 0, r2= 0, r3= 4.368, r4= 4.928,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1027,1028,
&end
#
#  65  ARG H  65  ARG QD
 &rst iat= 1020, -1, r1= 0, r2= 0, r3= 4.592, r4= 5.152,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1030,1031,
&end
#
#  65  ARG HA  65  ARG QG
 &rst iat= 1022, -1, r1= 0, r2= 0, r3= 4.032, r4= 4.592,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1027,1028,
&end
#
#  65  ARG HA  65  ARG QD
 &rst iat= 1022, -1, r1= 0, r2= 0, r3= 4.032, r4= 4.592,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1030,1031,
&end
#
#  65  ARG QB  65  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= 1024,1025,
igr2= 1030,1031,
&end
#
#  65  ARG H  66  HIS H
 &rst iat= 1020,1044, r1= 0, r2= 0, r3= 3.3, r4= 3.8,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  65  ARG QB  66  HIS H
 &rst iat= -1,1044, r1= 0, r2= 0, r3= 4.48, r4= 5.04,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1024,1025,
&end
#
#  65  ARG QB  66  HIS HD2
 &rst iat= -1,1057, r1= 0, r2= 0, r3= 5.152, r4= 5.712,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1024,1025,
&end
#
#  65  ARG QG  66  HIS H
 &rst iat= -1,1044, r1= 0, r2= 0, r3= 5.04, r4= 5.6,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1027,1028,
&end
#
#  65  ARG QG  66  HIS HA
 &rst iat= -1,1046, r1= 0, r2= 0, r3= 5.6, r4= 6.16,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1027,1028,
&end
#
#  65  ARG QG  66  HIS QB
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.52288, r4= 7.15008,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1027,1028,
igr2= 1048,1049,
&end
#
#  65  ARG QG  66  HIS HD2
 &rst iat= -1,1057, r1= 0, r2= 0, r3= 4.704, r4= 5.264,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1027,1028,
&end
#
#  65  ARG QG  66  HIS HE1
 &rst iat= -1,1053, r1= 0, r2= 0, r3= 6.16, r4= 6.72,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1027,1028,
&end
#
#  65  ARG QD  66  HIS H
 &rst iat= -1,1044, r1= 0, r2= 0, r3= 5.264, r4= 5.824,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1030,1031,
&end
#
#  65  ARG QD  66  HIS HD2
 &rst iat= -1,1057, r1= 0, r2= 0, r3= 5.488, r4= 6.048,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1030,1031,
&end
#
#  65  ARG HA  67  PRO QD
 &rst iat= 1022, -1, r1= 0, r2= 0, r3= 5.712, r4= 6.272,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1062,1063,
&end
#
#  66  HIS H  66  HIS QB
 &rst iat= 1044, -1, r1= 0, r2= 0, r3= 4.144, r4= 4.704,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1048,1049,
&end
#
#  66  HIS H  66  HIS HD2
 &rst iat= 1044,1057, r1= 0, r2= 0, r3= 5, r4= 5.5,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  66  HIS HA  66  HIS HD2
 &rst iat= 1046,1057, r1= 0, r2= 0, r3= 4.7, r4= 5.2,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  66  HIS QB  66  HIS HD2
 &rst iat= -1,1057, r1= 0, r2= 0, r3= 4.368, r4= 4.928,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1048,1049,
&end
#
#  66  HIS QB  66  HIS HE1
 &rst iat= -1,1053, r1= 0, r2= 0, r3= 5.712, r4= 6.272,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1048,1049,
&end
#
#  66  HIS H  67  PRO HA
 &rst iat= 1044,1071, r1= 0, r2= 0, r3= 5.1, r4= 5.6,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  66  HIS H  67  PRO QD
 &rst iat= 1044, -1, r1= 0, r2= 0, r3= 5.376, r4= 5.936,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1062,1063,
&end
#
#  66  HIS HA  67  PRO HA
 &rst iat= 1046,1071, r1= 0, r2= 0, r3= 4.5, r4= 5,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  66  HIS HA  67  PRO QG
 &rst iat= 1046, -1, r1= 0, r2= 0, r3= 5.04, r4= 5.6,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1065,1066,
&end
#
#  66  HIS HA  67  PRO QD
 &rst iat= 1046, -1, r1= 0, r2= 0, r3= 3.584, r4= 4.144,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1062,1063,
&end
#
#  66  HIS QB  67  PRO QD
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.26848, r4= 5.89568,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1048,1049,
igr2= 1062,1063,
&end
#
#  66  HIS HD2  67  PRO QD
 &rst iat= 1057, -1, r1= 0, r2= 0, r3= 6.16, r4= 6.72,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1062,1063,
&end
#
#  66  HIS HA  68  ASP H
 &rst iat= 1046,1075, r1= 0, r2= 0, r3= 4.5, r4= 5,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  66  HIS QB  68  ASP H
 &rst iat= -1,1075, r1= 0, r2= 0, r3= 5.04, r4= 5.6,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1048,1049,
&end
#
#  66  HIS H  69  VAL QG
 &rst iat= 1044, -1, r1= 0, r2= 0, r3= 7.425, r4= 8.1,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1093,1094,1095,1097,1098,1099,
&end
#
#  66  HIS HA  69  VAL H
 &rst iat= 1046,1087, r1= 0, r2= 0, r3= 4.9, r4= 5.4,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  66  HIS HA  69  VAL HB
 &rst iat= 1046,1091, r1= 0, r2= 0, r3= 4.9, r4= 5.4,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  66  HIS HA  69  VAL QG
 &rst iat= 1046, -1, r1= 0, r2= 0, r3= 6.21, r4= 6.885,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1093,1094,1095,1097,1098,1099,
&end
#
#  66  HIS QB  69  VAL H
 &rst iat= -1,1087, r1= 0, r2= 0, r3= 4.704, r4= 5.264,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1048,1049,
&end
#
#  66  HIS QB  69  VAL HB
 &rst iat= -1,1091, r1= 0, r2= 0, r3= 4.144, r4= 4.704,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1048,1049,
&end
#
#  66  HIS QB  69  VAL QG
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.1408, r4= 5.8968,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1048,1049,
igr2= 1093,1094,1095,1097,1098,1099,
&end
#
#  66  HIS HD2  69  VAL QG
 &rst iat= 1057, -1, r1= 0, r2= 0, r3= 6.345, r4= 7.02,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1093,1094,1095,1097,1098,1099,
&end
#
#  66  HIS H  70  GLU H
 &rst iat= 1044,1103, r1= 0, r2= 0, r3= 5.2, r4= 5.7,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  66  HIS H  70  GLU QB
 &rst iat= 1044, -1, r1= 0, r2= 0, r3= 5.824, r4= 6.384,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1107,1108,
&end
#
#  66  HIS H  70  GLU QG
 &rst iat= 1044, -1, r1= 0, r2= 0, r3= 5.488, r4= 6.048,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1110,1111,
&end
#
#  66  HIS QB  70  GLU H
 &rst iat= -1,1103, r1= 0, r2= 0, r3= 4.816, r4= 5.376,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1048,1049,
&end
#
#  66  HIS QB  70  GLU QG
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.89568, r4= 6.52288,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1048,1049,
igr2= 1110,1111,
&end
#
#  66  HIS HE1  70  GLU QG
 &rst iat= 1053, -1, r1= 0, r2= 0, r3= 6.16, r4= 6.72,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1110,1111,
&end
#
#  67  PRO QB  68  ASP H
 &rst iat= -1,1075, r1= 0, r2= 0, r3= 4.48, r4= 5.04,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1068,1069,
&end
#
#  67  PRO QB  68  ASP HA
 &rst iat= -1,1077, r1= 0, r2= 0, r3= 4.704, r4= 5.264,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1068,1069,
&end
#
#  67  PRO QG  68  ASP H
 &rst iat= -1,1075, r1= 0, r2= 0, r3= 4.48, r4= 5.04,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1065,1066,
&end
#
#  67  PRO QG  68  ASP HA
 &rst iat= -1,1077, r1= 0, r2= 0, r3= 5.152, r4= 5.712,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1065,1066,
&end
#
#  67  PRO QD  68  ASP H
 &rst iat= -1,1075, r1= 0, r2= 0, r3= 4.368, r4= 4.928,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1062,1063,
&end
#
#  67  PRO QD  68  ASP QB
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.8992, r4= 7.5264,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1062,1063,
igr2= 1079,1080,
&end
#
#  67  PRO HA  69  VAL H
 &rst iat= 1071,1087, r1= 0, r2= 0, r3= 4.8, r4= 5.3,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  67  PRO HA  69  VAL QG
 &rst iat= 1071, -1, r1= 0, r2= 0, r3= 6.75, r4= 7.425,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1093,1094,1095,1097,1098,1099,
&end
#
#  67  PRO QB  69  VAL H
 &rst iat= -1,1087, r1= 0, r2= 0, r3= 6.048, r4= 6.608,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1068,1069,
&end
#
#  67  PRO QG  69  VAL H
 &rst iat= -1,1087, r1= 0, r2= 0, r3= 6.16, r4= 6.72,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1065,1066,
&end
#
#  67  PRO QD  69  VAL H
 &rst iat= -1,1087, r1= 0, r2= 0, r3= 6.16, r4= 6.72,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1062,1063,
&end
#
#  67  PRO HA  70  GLU H
 &rst iat= 1071,1103, r1= 0, r2= 0, r3= 4.3, r4= 4.8,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  67  PRO HA  70  GLU QB
 &rst iat= 1071, -1, r1= 0, r2= 0, r3= 4.48, r4= 5.04,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1107,1108,
&end
#
#  67  PRO QD  70  GLU H
 &rst iat= -1,1103, r1= 0, r2= 0, r3= 6.048, r4= 6.608,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1062,1063,
&end
#
#  67  PRO HA  71  VAL H
 &rst iat= 1071,1118, r1= 0, r2= 0, r3= 3.6, r4= 4.1,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  67  PRO HA  71  VAL QG
 &rst iat= 1071, -1, r1= 0, r2= 0, r3= 4.32, r4= 4.995,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1124,1125,1126,1128,1129,1130,
&end
#
#  67  PRO QB  71  VAL H
 &rst iat= -1,1118, r1= 0, r2= 0, r3= 4.928, r4= 5.488,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1068,1069,
&end
#
#  67  PRO QB  71  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= 1068,1069,
igr2= 1124,1125,1126,1128,1129,1130,
&end
#
#  67  PRO QG  71  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= 1065,1066,
igr2= 1124,1125,1126,1128,1129,1130,
&end
#
#  67  PRO QD  71  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= 1062,1063,
igr2= 1124,1125,1126,1128,1129,1130,
&end
#
#  67  PRO QB  85  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= 1068,1069,
igr2= 1352,1353,1354,1356,1357,1358,
&end
#
#  67  PRO QG  85  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= 1065,1066,
igr2= 1352,1353,1354,1356,1357,1358,
&end
#
#  67  PRO QG  86  LYS HA
 &rst iat= -1,1364, r1= 0, r2= 0, r3= 3.92, r4= 4.48,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1065,1066,
&end
#
#  67  PRO QG  86  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= 1065,1066,
igr2= 1375,1376,
&end
#
#  67  PRO QD  86  LYS HA
 &rst iat= -1,1364, r1= 0, r2= 0, r3= 5.264, r4= 5.824,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1062,1063,
&end
#
#  67  PRO QD  86  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= 1062,1063,
igr2= 1366,1367,
&end
#
#  67  PRO QD  86  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= 1062,1063,
igr2= 1369,1370,
&end
#
#  67  PRO QG  89  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= 1065,1066,
igr2= 1424,1425,1426,
&end
#
#  67  PRO QD  89  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= 1062,1063,
igr2= 1424,1425,1426,
&end
#
#  68  ASP H  68  ASP QB
 &rst iat= 1075, -1, r1= 0, r2= 0, r3= 3.92, r4= 4.48,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1079,1080,
&end
#
#  68  ASP H  69  VAL H
 &rst iat= 1075,1087, r1= 0, r2= 0, r3= 3.2, r4= 3.7,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  68  ASP H  69  VAL HA
 &rst iat= 1075,1089, r1= 0, r2= 0, r3= 5.2, r4= 5.7,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  68  ASP H  69  VAL QG
 &rst iat= 1075, -1, r1= 0, r2= 0, r3= 6.21, r4= 6.885,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1093,1094,1095,1097,1098,1099,
&end
#
#  68  ASP HA  69  VAL HA
 &rst iat= 1077,1089, r1= 0, r2= 0, r3= 4.9, r4= 5.4,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  68  ASP QB  69  VAL H
 &rst iat= -1,1087, r1= 0, r2= 0, r3= 5.488, r4= 6.048,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1079,1080,
&end
#
#  68  ASP QB  69  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= 1079,1080,
igr2= 1093,1094,1095,1097,1098,1099,
&end
#
#  68  ASP H  70  GLU H
 &rst iat= 1075,1103, r1= 0, r2= 0, r3= 4.3, r4= 4.8,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  68  ASP HA  70  GLU H
 &rst iat= 1077,1103, r1= 0, r2= 0, r3= 4.6, r4= 5.1,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  68  ASP H  71  VAL QG
 &rst iat= 1075, -1, r1= 0, r2= 0, r3= 6.615, r4= 7.29,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1124,1125,1126,1128,1129,1130,
&end
#
#  68  ASP HA  71  VAL QG
 &rst iat= 1077, -1, r1= 0, r2= 0, r3= 6.885, r4= 7.56,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1124,1125,1126,1128,1129,1130,
&end
#
#  68  ASP HA  74  PHE QE
 &rst iat= 1077, -1, r1= 0, r2= 0, r3= 5.152, r4= 5.712,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1163,1167,
&end
#
#  68  ASP QB  74  PHE QD
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.64832, r4= 7.27552,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1079,1080,
igr2= 1161,1169,
&end
#
#  68  ASP QB  74  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= 1079,1080,
igr2= 1163,1167,
&end
#
#  68  ASP QB  74  PHE HZ
 &rst iat= -1,1165, r1= 0, r2= 0, r3= 5.04, r4= 5.6,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1079,1080,
&end
#
#  68  ASP HA  85  VAL QG
 &rst iat= 1077, -1, r1= 0, r2= 0, r3= 7.425, r4= 8.1,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1352,1353,1354,1356,1357,1358,
&end
#
#  68  ASP H  86  LYS QD
 &rst iat= 1075, -1, r1= 0, r2= 0, r3= 5.6, r4= 6.16,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1372,1373,
&end
#
#  68  ASP H  86  LYS QE
 &rst iat= 1075, -1, r1= 0, r2= 0, r3= 4.928, r4= 5.488,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1375,1376,
&end
#
#  68  ASP HA  86  LYS QG
 &rst iat= 1077, -1, r1= 0, r2= 0, r3= 5.824, r4= 6.384,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1369,1370,
&end
#
#  68  ASP QB  86  LYS QD
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.02112, r4= 6.64832,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1079,1080,
igr2= 1372,1373,
&end
#
#  68  ASP QB  86  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= 1079,1080,
igr2= 1375,1376,
&end
#
#  69  VAL H  69  VAL HB
 &rst iat= 1087,1091, r1= 0, r2= 0, r3= 3.3, r4= 3.8,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  69  VAL H  69  VAL QG
 &rst iat= 1087, -1, r1= 0, r2= 0, r3= 4.59, r4= 5.265,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1093,1094,1095,1097,1098,1099,
&end
#
#  69  VAL HA  69  VAL QG
 &rst iat= 1089, -1, r1= 0, r2= 0, r3= 3.915, r4= 4.59,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1093,1094,1095,1097,1098,1099,
&end
#
#  69  VAL H  70  GLU H
 &rst iat= 1087,1103, r1= 0, r2= 0, r3= 3, r4= 3.5,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  69  VAL H  70  GLU HA
 &rst iat= 1087,1105, r1= 0, r2= 0, r3= 4.9, r4= 5.4,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  69  VAL HA  70  GLU QG
 &rst iat= 1089, -1, r1= 0, r2= 0, r3= 6.16, r4= 6.72,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1110,1111,
&end
#
#  69  VAL HB  70  GLU H
 &rst iat= 1091,1103, r1= 0, r2= 0, r3= 3.8, r4= 4.3,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  69  VAL QG  70  GLU H
 &rst iat= -1,1103, r1= 0, r2= 0, r3= 4.86, r4= 5.535,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1093,1094,1095,1097,1098,1099,
&end
#
#  69  VAL QG  70  GLU HA
 &rst iat= -1,1105, r1= 0, r2= 0, r3= 5.805, r4= 6.48,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1093,1094,1095,1097,1098,1099,
&end
#
#  69  VAL QG  70  GLU QB
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.804, r4= 7.56,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1093,1094,1095,1097,1098,1099,
igr2= 1107,1108,
&end
#
#  69  VAL QG  70  GLU QG
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.1992, r4= 6.9552,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1093,1094,1095,1097,1098,1099,
igr2= 1110,1111,
&end
#
#  69  VAL H  71  VAL H
 &rst iat= 1087,1118, r1= 0, r2= 0, r3= 5.3, r4= 5.8,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  69  VAL H  71  VAL QG
 &rst iat= 1087, -1, r1= 0, r2= 0, r3= 7.425, r4= 8.1,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1124,1125,1126,1128,1129,1130,
&end
#
#  69  VAL QG  71  VAL H
 &rst iat= -1,1118, r1= 0, r2= 0, r3= 7.425, r4= 8.1,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1093,1094,1095,1097,1098,1099,
&end
#
#  70  GLU H  70  GLU QB
 &rst iat= 1103, -1, r1= 0, r2= 0, r3= 4.256, r4= 4.816,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1107,1108,
&end
#
#  70  GLU H  70  GLU QG
 &rst iat= 1103, -1, r1= 0, r2= 0, r3= 4.48, r4= 5.04,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1110,1111,
&end
#
#  70  GLU HA  70  GLU QG
 &rst iat= 1105, -1, r1= 0, r2= 0, r3= 3.696, r4= 4.256,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1110,1111,
&end
#
#  70  GLU H  71  VAL QG
 &rst iat= 1103, -1, r1= 0, r2= 0, r3= 6.615, r4= 7.29,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1124,1125,1126,1128,1129,1130,
&end
#
#  70  GLU QB  71  VAL H
 &rst iat= -1,1118, r1= 0, r2= 0, r3= 4.368, r4= 4.928,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1107,1108,
&end
#
#  70  GLU QB  71  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= 1107,1108,
igr2= 1124,1125,1126,1128,1129,1130,
&end
#
#  70  GLU QG  71  VAL H
 &rst iat= -1,1118, r1= 0, r2= 0, r3= 6.048, r4= 6.608,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1110,1111,
&end
#
#  70  GLU QG  71  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= 1110,1111,
igr2= 1124,1125,1126,1128,1129,1130,
&end
#
#  70  GLU HA  72  ASP QB
 &rst iat= 1105, -1, r1= 0, r2= 0, r3= 5.824, r4= 6.384,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1138,1139,
&end
#
#  71  VAL H  71  VAL HB
 &rst iat= 1118,1122, r1= 0, r2= 0, r3= 3.5, r4= 4,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  71  VAL H  71  VAL QG
 &rst iat= 1118, -1, r1= 0, r2= 0, r3= 4.32, r4= 4.995,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1124,1125,1126,1128,1129,1130,
&end
#
#  71  VAL HA  71  VAL QG
 &rst iat= 1120, -1, r1= 0, r2= 0, r3= 4.59, r4= 5.265,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1124,1125,1126,1128,1129,1130,
&end
#
#  71  VAL H  72  ASP H
 &rst iat= 1118,1134, r1= 0, r2= 0, r3= 4.9, r4= 5.4,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  71  VAL HA  72  ASP H
 &rst iat= 1120,1134, r1= 0, r2= 0, r3= 3.4, r4= 3.9,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  71  VAL HA  72  ASP QB
 &rst iat= 1120, -1, r1= 0, r2= 0, r3= 4.704, r4= 5.264,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1138,1139,
&end
#
#  71  VAL HB  72  ASP H
 &rst iat= 1122,1134, r1= 0, r2= 0, r3= 4.9, r4= 5.4,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  71  VAL QG  72  ASP H
 &rst iat= -1,1134, r1= 0, r2= 0, r3= 4.86, r4= 5.535,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1124,1125,1126,1128,1129,1130,
&end
#
#  71  VAL QG  72  ASP HA
 &rst iat= -1,1136, r1= 0, r2= 0, r3= 6.75, r4= 7.425,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1124,1125,1126,1128,1129,1130,
&end
#
#  71  VAL QG  72  ASP QB
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.804, r4= 7.56,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1124,1125,1126,1128,1129,1130,
igr2= 1138,1139,
&end
#
#  71  VAL QG  73  GLY H
 &rst iat= -1,1146, r1= 0, r2= 0, r3= 6.345, r4= 7.02,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1124,1125,1126,1128,1129,1130,
&end
#
#  71  VAL HB  74  PHE H
 &rst iat= 1122,1153, r1= 0, r2= 0, r3= 5, r4= 5.5,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  71  VAL HB  74  PHE QB
 &rst iat= 1122, -1, r1= 0, r2= 0, r3= 4.928, r4= 5.488,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1157,1158,
&end
#
#  71  VAL HB  74  PHE QD
 &rst iat= 1122, -1, r1= 0, r2= 0, r3= 5.824, r4= 6.384,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1161,1169,
&end
#
#  71  VAL QG  74  PHE H
 &rst iat= -1,1153, r1= 0, r2= 0, r3= 5.535, r4= 6.21,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1124,1125,1126,1128,1129,1130,
&end
#
#  71  VAL QG  74  PHE HA
 &rst iat= -1,1155, r1= 0, r2= 0, r3= 6.885, r4= 7.56,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1124,1125,1126,1128,1129,1130,
&end
#
#  71  VAL QG  74  PHE QB
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.5016, r4= 7.2576,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1124,1125,1126,1128,1129,1130,
igr2= 1157,1158,
&end
#
#  71  VAL QG  74  PHE QD
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.3504, r4= 7.1064,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1124,1125,1126,1128,1129,1130,
igr2= 1161,1169,
&end
#
#  71  VAL QG  75  SER H
 &rst iat= -1,1173, r1= 0, r2= 0, r3= 7.425, r4= 8.1,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1124,1125,1126,1128,1129,1130,
&end
#
#  72  ASP H  72  ASP QB
 &rst iat= 1134, -1, r1= 0, r2= 0, r3= 3.584, r4= 4.144,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1138,1139,
&end
#
#  72  ASP HA  73  GLY H
 &rst iat= 1136,1146, r1= 0, r2= 0, r3= 3.3, r4= 3.8,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  72  ASP HA  73  GLY QA
 &rst iat= 1136, -1, r1= 0, r2= 0, r3= 5.152, r4= 5.712,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1148,1149,
&end
#
#  72  ASP QB  73  GLY H
 &rst iat= -1,1146, r1= 0, r2= 0, r3= 4.928, r4= 5.488,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1138,1139,
&end
#
#  72  ASP H  74  PHE H
 &rst iat= 1134,1153, r1= 0, r2= 0, r3= 5.4, r4= 5.9,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  72  ASP HA  74  PHE H
 &rst iat= 1136,1153, r1= 0, r2= 0, r3= 4.1, r4= 4.6,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  73  GLY H  74  PHE H
 &rst iat= 1146,1153, r1= 0, r2= 0, r3= 3.3, r4= 3.8,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  73  GLY QA  75  SER H
 &rst iat= -1,1173, r1= 0, r2= 0, r3= 5.6, r4= 6.16,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1148,1149,
&end
#
#  73  GLY H  76  GLU QG
 &rst iat= 1146, -1, r1= 0, r2= 0, r3= 5.264, r4= 5.824,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1191,1192,
&end
#
#  73  GLY QA  76  GLU H
 &rst iat= -1,1184, r1= 0, r2= 0, r3= 4.928, r4= 5.488,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1148,1149,
&end
#
#  73  GLY QA  76  GLU QG
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.77024, r4= 6.39744,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1148,1149,
igr2= 1191,1192,
&end
#
#  74  PHE H  74  PHE QB
 &rst iat= 1153, -1, r1= 0, r2= 0, r3= 4.368, r4= 4.928,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1157,1158,
&end
#
#  74  PHE H  74  PHE QD
 &rst iat= 1153, -1, r1= 0, r2= 0, r3= 6.16, r4= 6.72,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1161,1169,
&end
#
#  74  PHE HA  74  PHE QD
 &rst iat= 1155, -1, r1= 0, r2= 0, r3= 4.368, r4= 4.928,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1161,1169,
&end
#
#  74  PHE QB  74  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= 1157,1158,
igr2= 1163,1167,
&end
#
#  74  PHE H  75  SER H
 &rst iat= 1153,1173, r1= 0, r2= 0, r3= 3.7, r4= 4.2,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  74  PHE QB  75  SER H
 &rst iat= -1,1173, r1= 0, r2= 0, r3= 4.928, r4= 5.488,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1157,1158,
&end
#
#  74  PHE QB  75  SER HA
 &rst iat= -1,1175, r1= 0, r2= 0, r3= 5.6, r4= 6.16,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1157,1158,
&end
#
#  74  PHE QB  75  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= 1157,1158,
igr2= 1177,1178,
&end
#
#  74  PHE QD  75  SER HA
 &rst iat= -1,1175, r1= 0, r2= 0, r3= 6.16, r4= 6.72,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1161,1169,
&end
#
#  74  PHE H  76  GLU H
 &rst iat= 1153,1184, r1= 0, r2= 0, r3= 4.9, r4= 5.4,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  74  PHE HA  76  GLU H
 &rst iat= 1155,1184, r1= 0, r2= 0, r3= 5.1, r4= 5.6,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  74  PHE H  77  LEU QD
 &rst iat= 1153, -1, r1= 0, r2= 0, r3= 6.615, r4= 7.29,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1208,1209,1210,1212,1213,1214,
&end
#
#  74  PHE HA  77  LEU H
 &rst iat= 1155,1199, r1= 0, r2= 0, r3= 4.3, r4= 4.8,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  74  PHE HA  77  LEU HG
 &rst iat= 1155,1206, r1= 0, r2= 0, r3= 4.6, r4= 5.1,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  74  PHE HA  77  LEU QD
 &rst iat= 1155, -1, r1= 0, r2= 0, r3= 5.265, r4= 5.94,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1208,1209,1210,1212,1213,1214,
&end
#
#  74  PHE QB  77  LEU QD
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 8.1648, r4= 8.9208,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1157,1158,
igr2= 1208,1209,1210,1212,1213,1214,
&end
#
#  74  PHE QD  77  LEU QD
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 7.56, r4= 8.316,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1161,1169,
igr2= 1208,1209,1210,1212,1213,1214,
&end
#
#  74  PHE QE  82  GLN H
 &rst iat= -1,1290, r1= 0, r2= 0, r3= 5.6, r4= 6.16,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1163,1167,
&end
#
#  74  PHE QE  82  GLN HA
 &rst iat= -1,1292, r1= 0, r2= 0, r3= 5.04, r4= 5.6,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1163,1167,
&end
#
#  74  PHE QE  82  GLN QB
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.64832, r4= 7.27552,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1163,1167,
igr2= 1294,1295,
&end
#
#  74  PHE HZ  82  GLN HA
 &rst iat= 1165,1292, r1= 0, r2= 0, r3= 4.5, r4= 5,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  74  PHE HZ  82  GLN QB
 &rst iat= 1165, -1, r1= 0, r2= 0, r3= 5.376, r4= 5.936,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1294,1295,
&end
#
#  74  PHE HZ  82  GLN QG
 &rst iat= 1165, -1, r1= 0, r2= 0, r3= 5.936, r4= 6.496,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1297,1298,
&end
#
#  74  PHE QD  85  VAL HB
 &rst iat= -1,1350, r1= 0, r2= 0, r3= 5.376, r4= 5.936,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1161,1169,
&end
#
#  74  PHE QD  85  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= 1161,1169,
igr2= 1352,1353,1354,1356,1357,1358,
&end
#
#  74  PHE QE  85  VAL H
 &rst iat= -1,1346, r1= 0, r2= 0, r3= 6.16, r4= 6.72,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1163,1167,
&end
#
#  74  PHE QE  85  VAL HB
 &rst iat= -1,1350, r1= 0, r2= 0, r3= 5.04, r4= 5.6,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1163,1167,
&end
#
#  74  PHE QD  86  LYS QG
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.02112, r4= 6.64832,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1161,1169,
igr2= 1369,1370,
&end
#
#  74  PHE QE  86  LYS H
 &rst iat= -1,1362, r1= 0, r2= 0, r3= 5.04, r4= 5.6,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1163,1167,
&end
#
#  74  PHE QE  86  LYS QB
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.89568, r4= 6.52288,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1163,1167,
igr2= 1366,1367,
&end
#
#  74  PHE QE  86  LYS QG
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.02112, r4= 6.64832,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1163,1167,
igr2= 1369,1370,
&end
#
#  74  PHE QE  86  LYS QD
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.8992, r4= 7.5264,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1163,1167,
igr2= 1372,1373,
&end
#
#  74  PHE QE  86  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= 1163,1167,
igr2= 1375,1376,
&end
#
#  74  PHE HZ  86  LYS QG
 &rst iat= 1165, -1, r1= 0, r2= 0, r3= 5.824, r4= 6.384,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1369,1370,
&end
#
#  74  PHE HZ  86  LYS QD
 &rst iat= 1165, -1, r1= 0, r2= 0, r3= 5.376, r4= 5.936,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1372,1373,
&end
#
#  74  PHE HZ  86  LYS QE
 &rst iat= 1165, -1, r1= 0, r2= 0, r3= 4.704, r4= 5.264,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1375,1376,
&end
#
#  75  SER H  75  SER QB
 &rst iat= 1173, -1, r1= 0, r2= 0, r3= 4.256, r4= 4.816,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1177,1178,
&end
#
#  75  SER H  76  GLU H
 &rst iat= 1173,1184, r1= 0, r2= 0, r3= 3.5, r4= 4,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  75  SER H  76  GLU QG
 &rst iat= 1173, -1, r1= 0, r2= 0, r3= 5.488, r4= 6.048,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1191,1192,
&end
#
#  75  SER QB  76  GLU H
 &rst iat= -1,1184, r1= 0, r2= 0, r3= 5.04, r4= 5.6,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1177,1178,
&end
#
#  75  SER QB  76  GLU HA
 &rst iat= -1,1186, r1= 0, r2= 0, r3= 4.816, r4= 5.376,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1177,1178,
&end
#
#  75  SER QB  76  GLU QG
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.272, r4= 6.8992,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1177,1178,
igr2= 1191,1192,
&end
#
#  75  SER H  77  LEU H
 &rst iat= 1173,1199, r1= 0, r2= 0, r3= 4.8, r4= 5.3,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  75  SER HA  77  LEU H
 &rst iat= 1175,1199, r1= 0, r2= 0, r3= 4.7, r4= 5.2,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  76  GLU H  76  GLU QB
 &rst iat= 1184, -1, r1= 0, r2= 0, r3= 3.808, r4= 4.368,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1188,1189,
&end
#
#  76  GLU H  76  GLU QG
 &rst iat= 1184, -1, r1= 0, r2= 0, r3= 4.032, r4= 4.592,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1191,1192,
&end
#
#  76  GLU HA  76  GLU QG
 &rst iat= 1186, -1, r1= 0, r2= 0, r3= 3.36, r4= 3.92,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1191,1192,
&end
#
#  76  GLU H  77  LEU H
 &rst iat= 1184,1199, r1= 0, r2= 0, r3= 3.2, r4= 3.7,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  76  GLU H  77  LEU QB
 &rst iat= 1184, -1, r1= 0, r2= 0, r3= 5.376, r4= 5.936,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1203,1204,
&end
#
#  76  GLU H  77  LEU QD
 &rst iat= 1184, -1, r1= 0, r2= 0, r3= 6.75, r4= 7.425,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1208,1209,1210,1212,1213,1214,
&end
#
#  76  GLU HA  77  LEU QD
 &rst iat= 1186, -1, r1= 0, r2= 0, r3= 7.155, r4= 7.83,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1208,1209,1210,1212,1213,1214,
&end
#
#  76  GLU QB  77  LEU H
 &rst iat= -1,1199, r1= 0, r2= 0, r3= 4.816, r4= 5.376,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1188,1189,
&end
#
#  76  GLU QB  77  LEU HA
 &rst iat= -1,1201, r1= 0, r2= 0, r3= 5.488, r4= 6.048,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1188,1189,
&end
#
#  76  GLU QG  77  LEU H
 &rst iat= -1,1199, r1= 0, r2= 0, r3= 5.152, r4= 5.712,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1191,1192,
&end
#
#  76  GLU QG  77  LEU QD
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 8.316, r4= 9.072,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1191,1192,
igr2= 1208,1209,1210,1212,1213,1214,
&end
#
#  77  LEU H  77  LEU QB
 &rst iat= 1199, -1, r1= 0, r2= 0, r3= 3.696, r4= 4.256,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1203,1204,
&end
#
#  77  LEU H  77  LEU HG
 &rst iat= 1199,1206, r1= 0, r2= 0, r3= 4.3, r4= 4.8,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  77  LEU H  77  LEU QD
 &rst iat= 1199, -1, r1= 0, r2= 0, r3= 4.86, r4= 5.535,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1208,1209,1210,1212,1213,1214,
&end
#
#  77  LEU HA  77  LEU QD
 &rst iat= 1201, -1, r1= 0, r2= 0, r3= 4.185, r4= 4.86,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1208,1209,1210,1212,1213,1214,
&end
#
#  77  LEU QB  77  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= 1203,1204,
igr2= 1208,1209,1210,1212,1213,1214,
&end
#
#  77  LEU HA  78  ARG H
 &rst iat= 1201,1218, r1= 0, r2= 0, r3= 3.3, r4= 3.8,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  77  LEU QB  78  ARG H
 &rst iat= -1,1218, r1= 0, r2= 0, r3= 5.152, r4= 5.712,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1203,1204,
&end
#
#  77  LEU QD  78  ARG H
 &rst iat= -1,1218, r1= 0, r2= 0, r3= 6.345, r4= 7.02,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1208,1209,1210,1212,1213,1214,
&end
#
#  77  LEU QB  81  ASP H
 &rst iat= -1,1278, r1= 0, r2= 0, r3= 5.824, r4= 6.384,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1203,1204,
&end
#
#  77  LEU QB  81  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= 1203,1204,
igr2= 1282,1283,
&end
#
#  77  LEU HG  81  ASP QB
 &rst iat= 1206, -1, r1= 0, r2= 0, r3= 5.712, r4= 6.272,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1282,1283,
&end
#
#  77  LEU QD  81  ASP H
 &rst iat= -1,1278, r1= 0, r2= 0, r3= 6.75, r4= 7.425,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1208,1209,1210,1212,1213,1214,
&end
#
#  77  LEU QD  81  ASP QB
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.5016, r4= 7.2576,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1208,1209,1210,1212,1213,1214,
igr2= 1282,1283,
&end
#
#  77  LEU QB  82  GLN H
 &rst iat= -1,1290, r1= 0, r2= 0, r3= 5.376, r4= 5.936,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1203,1204,
&end
#
#  77  LEU QD  85  VAL HA
 &rst iat= -1,1348, r1= 0, r2= 0, r3= 7.155, r4= 7.83,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1208,1209,1210,1212,1213,1214,
&end
#
#  77  LEU QD  85  VAL HB
 &rst iat= -1,1350, r1= 0, r2= 0, r3= 7.155, r4= 7.83,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1208,1209,1210,1212,1213,1214,
&end
#
#  77  LEU QD  85  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= 1208,1209,1210,1212,1213,1214,
igr2= 1352,1353,1354,1356,1357,1358,
&end
#
#  78  ARG H  78  ARG QG
 &rst iat= 1218, -1, r1= 0, r2= 0, r3= 4.816, r4= 5.376,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1225,1226,
&end
#
#  78  ARG H  78  ARG QD
 &rst iat= 1218, -1, r1= 0, r2= 0, r3= 5.152, r4= 5.712,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1228,1229,
&end
#
#  78  ARG HA  78  ARG QG
 &rst iat= 1220, -1, r1= 0, r2= 0, r3= 4.368, r4= 4.928,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1225,1226,
&end
#
#  78  ARG HA  78  ARG QD
 &rst iat= 1220, -1, r1= 0, r2= 0, r3= 4.928, r4= 5.488,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1228,1229,
&end
#
#  78  ARG QB  78  ARG QD
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 4.01408, r4= 4.64128,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1222,1223,
igr2= 1228,1229,
&end
#
#  78  ARG HA  79  TRP HA
 &rst iat= 1220,1244, r1= 0, r2= 0, r3= 5.1, r4= 5.6,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  78  ARG QB  79  TRP H
 &rst iat= -1,1242, r1= 0, r2= 0, r3= 5.6, r4= 6.16,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1222,1223,
&end
#
#  78  ARG QB  79  TRP HZ3
 &rst iat= -1,1259, r1= 0, r2= 0, r3= 6.16, r4= 6.72,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1222,1223,
&end
#
#  78  ARG QD  79  TRP HA
 &rst iat= -1,1244, r1= 0, r2= 0, r3= 5.712, r4= 6.272,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1228,1229,
&end
#
#  78  ARG QD  79  TRP QB
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.6448, r4= 6.272,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1228,1229,
igr2= 1246,1247,
&end
#
#  78  ARG HA  80  ASP H
 &rst iat= 1220,1266, r1= 0, r2= 0, r3= 5.3, r4= 5.8,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  78  ARG QB  80  ASP H
 &rst iat= -1,1266, r1= 0, r2= 0, r3= 4.928, r4= 5.488,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1222,1223,
&end
#
#  78  ARG QB  80  ASP QB
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.6448, r4= 6.272,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1222,1223,
igr2= 1270,1271,
&end
#
#  78  ARG QG  80  ASP H
 &rst iat= -1,1266, r1= 0, r2= 0, r3= 6.16, r4= 6.72,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1225,1226,
&end
#
#  78  ARG H  81  ASP H
 &rst iat= 1218,1278, r1= 0, r2= 0, r3= 4.9, r4= 5.4,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  78  ARG H  81  ASP QB
 &rst iat= 1218, -1, r1= 0, r2= 0, r3= 5.376, r4= 5.936,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1282,1283,
&end
#
#  78  ARG QB  81  ASP H
 &rst iat= -1,1278, r1= 0, r2= 0, r3= 4.704, r4= 5.264,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1222,1223,
&end
#
#  79  TRP HA  79  TRP HD1
 &rst iat= 1244,1250, r1= 0, r2= 0, r3= 4.2, r4= 4.7,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  79  TRP HA  79  TRP HE3
 &rst iat= 1244,1261, r1= 0, r2= 0, r3= 4.7, r4= 5.2,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  79  TRP QB  79  TRP HE1
 &rst iat= -1,1252, r1= 0, r2= 0, r3= 5.376, r4= 5.936,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1246,1247,
&end
#
#  79  TRP H  80  ASP H
 &rst iat= 1242,1266, r1= 0, r2= 0, r3= 4.6, r4= 5.1,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  79  TRP QB  80  ASP H
 &rst iat= -1,1266, r1= 0, r2= 0, r3= 4.704, r4= 5.264,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1246,1247,
&end
#
#  79  TRP HE3  80  ASP H
 &rst iat= 1261,1266, r1= 0, r2= 0, r3= 4.6, r4= 5.1,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  79  TRP HE3  80  ASP HA
 &rst iat= 1261,1268, r1= 0, r2= 0, r3= 4.2, r4= 4.7,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  79  TRP HE3  80  ASP QB
 &rst iat= 1261, -1, r1= 0, r2= 0, r3= 5.264, r4= 5.824,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1270,1271,
&end
#
#  79  TRP HZ2  80  ASP HA
 &rst iat= 1255,1268, r1= 0, r2= 0, r3= 5.5, r4= 6,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  79  TRP HH2  80  ASP HA
 &rst iat= 1257,1268, r1= 0, r2= 0, r3= 5.5, r4= 6,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  79  TRP HH2  80  ASP QB
 &rst iat= 1257, -1, r1= 0, r2= 0, r3= 6.16, r4= 6.72,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1270,1271,
&end
#
#  79  TRP HA  81  ASP H
 &rst iat= 1244,1278, r1= 0, r2= 0, r3= 4.5, r4= 5,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  79  TRP H  82  GLN H
 &rst iat= 1242,1290, r1= 0, r2= 0, r3= 5.2, r4= 5.7,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  79  TRP HA  82  GLN H
 &rst iat= 1244,1290, r1= 0, r2= 0, r3= 4.1, r4= 4.6,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  79  TRP HA  82  GLN QB
 &rst iat= 1244, -1, r1= 0, r2= 0, r3= 4.256, r4= 4.816,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1294,1295,
&end
#
#  79  TRP HA  82  GLN QG
 &rst iat= 1244, -1, r1= 0, r2= 0, r3= 5.264, r4= 5.824,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1297,1298,
&end
#
#  79  TRP HD1  82  GLN QB
 &rst iat= 1250, -1, r1= 0, r2= 0, r3= 5.712, r4= 6.272,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1294,1295,
&end
#
#  80  ASP H  80  ASP QB
 &rst iat= 1266, -1, r1= 0, r2= 0, r3= 3.472, r4= 4.032,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1270,1271,
&end
#
#  80  ASP HA  80  ASP QB
 &rst iat= 1268, -1, r1= 0, r2= 0, r3= 3.248, r4= 3.808,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1270,1271,
&end
#
#  80  ASP H  81  ASP H
 &rst iat= 1266,1278, r1= 0, r2= 0, r3= 3.3, r4= 3.8,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  80  ASP QB  81  ASP H
 &rst iat= -1,1278, r1= 0, r2= 0, r3= 4.032, r4= 4.592,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1270,1271,
&end
#
#  80  ASP H  82  GLN H
 &rst iat= 1266,1290, r1= 0, r2= 0, r3= 4.8, r4= 5.3,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  80  ASP HA  82  GLN H
 &rst iat= 1268,1290, r1= 0, r2= 0, r3= 4.7, r4= 5.2,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  80  ASP HA  83  GLN H
 &rst iat= 1268,1307, r1= 0, r2= 0, r3= 4.2, r4= 4.7,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  80  ASP HA  83  GLN QB
 &rst iat= 1268, -1, r1= 0, r2= 0, r3= 4.704, r4= 5.264,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1311,1312,
&end
#
#  80  ASP HA  83  GLN QG
 &rst iat= 1268, -1, r1= 0, r2= 0, r3= 4.704, r4= 5.264,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1314,1315,
&end
#
#  80  ASP HA  84  LYS H
 &rst iat= 1268,1324, r1= 0, r2= 0, r3= 4.4, r4= 4.9,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  81  ASP H  81  ASP QB
 &rst iat= 1278, -1, r1= 0, r2= 0, r3= 4.032, r4= 4.592,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1282,1283,
&end
#
#  81  ASP H  82  GLN H
 &rst iat= 1278,1290, r1= 0, r2= 0, r3= 3.3, r4= 3.8,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  81  ASP H  82  GLN QB
 &rst iat= 1278, -1, r1= 0, r2= 0, r3= 6.048, r4= 6.608,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1294,1295,
&end
#
#  81  ASP QB  82  GLN H
 &rst iat= -1,1290, r1= 0, r2= 0, r3= 5.04, r4= 5.6,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1282,1283,
&end
#
#  81  ASP H  83  GLN H
 &rst iat= 1278,1307, r1= 0, r2= 0, r3= 4.6, r4= 5.1,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  81  ASP H  83  GLN QG
 &rst iat= 1278, -1, r1= 0, r2= 0, r3= 5.6, r4= 6.16,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1314,1315,
&end
#
#  81  ASP HA  84  LYS H
 &rst iat= 1280,1324, r1= 0, r2= 0, r3= 3.5, r4= 4,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  81  ASP HA  84  LYS QB
 &rst iat= 1280, -1, r1= 0, r2= 0, r3= 3.808, r4= 4.368,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1328,1329,
&end
#
#  81  ASP HA  84  LYS QG
 &rst iat= 1280, -1, r1= 0, r2= 0, r3= 5.152, r4= 5.712,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1331,1332,
&end
#
#  81  ASP HA  84  LYS QD
 &rst iat= 1280, -1, r1= 0, r2= 0, r3= 4.592, r4= 5.152,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1334,1335,
&end
#
#  81  ASP HA  84  LYS QE
 &rst iat= 1280, -1, r1= 0, r2= 0, r3= 4.704, r4= 5.264,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1337,1338,
&end
#
#  81  ASP QB  84  LYS H
 &rst iat= -1,1324, r1= 0, r2= 0, r3= 6.16, r4= 6.72,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1282,1283,
&end
#
#  81  ASP QB  84  LYS QB
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.02112, r4= 6.64832,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1282,1283,
igr2= 1328,1329,
&end
#
#  81  ASP H  85  VAL H
 &rst iat= 1278,1346, r1= 0, r2= 0, r3= 5.5, r4= 6,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  81  ASP HA  85  VAL H
 &rst iat= 1280,1346, r1= 0, r2= 0, r3= 4.7, r4= 5.2,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  81  ASP HA  85  VAL QG
 &rst iat= 1280, -1, r1= 0, r2= 0, r3= 6.075, r4= 6.75,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1352,1353,1354,1356,1357,1358,
&end
#
#  81  ASP QB  85  VAL H
 &rst iat= -1,1346, r1= 0, r2= 0, r3= 5.936, r4= 6.496,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1282,1283,
&end
#
#  81  ASP QB  85  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= 1282,1283,
igr2= 1352,1353,1354,1356,1357,1358,
&end
#
#  82  GLN H  82  GLN QB
 &rst iat= 1290, -1, r1= 0, r2= 0, r3= 4.48, r4= 5.04,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1294,1295,
&end
#
#  82  GLN H  82  GLN QG
 &rst iat= 1290, -1, r1= 0, r2= 0, r3= 4.928, r4= 5.488,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1297,1298,
&end
#
#  82  GLN HA  82  GLN QG
 &rst iat= 1292, -1, r1= 0, r2= 0, r3= 4.368, r4= 4.928,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1297,1298,
&end
#
#  82  GLN H  83  GLN H
 &rst iat= 1290,1307, r1= 0, r2= 0, r3= 3.6, r4= 4.1,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  82  GLN H  83  GLN QG
 &rst iat= 1290, -1, r1= 0, r2= 0, r3= 5.6, r4= 6.16,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1314,1315,
&end
#
#  82  GLN HA  83  GLN HA
 &rst iat= 1292,1309, r1= 0, r2= 0, r3= 5, r4= 5.5,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  82  GLN QB  83  GLN H
 &rst iat= -1,1307, r1= 0, r2= 0, r3= 4.144, r4= 4.704,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1294,1295,
&end
#
#  82  GLN QG  83  GLN H
 &rst iat= -1,1307, r1= 0, r2= 0, r3= 5.712, r4= 6.272,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1297,1298,
&end
#
#  82  GLN H  84  LYS H
 &rst iat= 1290,1324, r1= 0, r2= 0, r3= 4.9, r4= 5.4,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  82  GLN HA  84  LYS H
 &rst iat= 1292,1324, r1= 0, r2= 0, r3= 4.8, r4= 5.3,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  82  GLN HA  85  VAL H
 &rst iat= 1292,1346, r1= 0, r2= 0, r3= 4.2, r4= 4.7,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  82  GLN HA  85  VAL HB
 &rst iat= 1292,1350, r1= 0, r2= 0, r3= 4.3, r4= 4.8,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  82  GLN HA  85  VAL QG
 &rst iat= 1292, -1, r1= 0, r2= 0, r3= 5.535, r4= 6.21,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1352,1353,1354,1356,1357,1358,
&end
#
#  82  GLN HA  86  LYS H
 &rst iat= 1292,1362, r1= 0, r2= 0, r3= 4.5, r4= 5,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  82  GLN HA  86  LYS QG
 &rst iat= 1292, -1, r1= 0, r2= 0, r3= 5.264, r4= 5.824,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1369,1370,
&end
#
#  82  GLN HA  86  LYS QD
 &rst iat= 1292, -1, r1= 0, r2= 0, r3= 5.824, r4= 6.384,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1372,1373,
&end
#
#  82  GLN QG  86  LYS QG
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.89568, r4= 6.52288,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1297,1298,
igr2= 1369,1370,
&end
#
#  83  GLN H  83  GLN QB
 &rst iat= 1307, -1, r1= 0, r2= 0, r3= 4.032, r4= 4.592,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1311,1312,
&end
#
#  83  GLN H  83  GLN QG
 &rst iat= 1307, -1, r1= 0, r2= 0, r3= 3.92, r4= 4.48,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1314,1315,
&end
#
#  83  GLN HA  83  GLN QG
 &rst iat= 1309, -1, r1= 0, r2= 0, r3= 4.256, r4= 4.816,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1314,1315,
&end
#
#  83  GLN HA  84  LYS HA
 &rst iat= 1309,1326, r1= 0, r2= 0, r3= 5.1, r4= 5.6,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  83  GLN QB  84  LYS H
 &rst iat= -1,1324, r1= 0, r2= 0, r3= 4.928, r4= 5.488,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1311,1312,
&end
#
#  83  GLN H  85  VAL H
 &rst iat= 1307,1346, r1= 0, r2= 0, r3= 5.5, r4= 6,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  83  GLN H  86  LYS H
 &rst iat= 1307,1362, r1= 0, r2= 0, r3= 4.9, r4= 5.4,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  83  GLN HA  86  LYS H
 &rst iat= 1309,1362, r1= 0, r2= 0, r3= 4.3, r4= 4.8,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  83  GLN HA  87  LYS H
 &rst iat= 1309,1384, r1= 0, r2= 0, r3= 4.5, r4= 5,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  84  LYS H  84  LYS QB
 &rst iat= 1324, -1, r1= 0, r2= 0, r3= 3.36, r4= 3.92,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1328,1329,
&end
#
#  84  LYS H  84  LYS QG
 &rst iat= 1324, -1, r1= 0, r2= 0, r3= 5.376, r4= 5.936,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1331,1332,
&end
#
#  84  LYS H  84  LYS QD
 &rst iat= 1324, -1, r1= 0, r2= 0, r3= 4.592, r4= 5.152,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1334,1335,
&end
#
#  84  LYS H  84  LYS QE
 &rst iat= 1324, -1, r1= 0, r2= 0, r3= 6.16, r4= 6.72,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1337,1338,
&end
#
#  84  LYS HA  84  LYS QG
 &rst iat= 1326, -1, r1= 0, r2= 0, r3= 3.92, r4= 4.48,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1331,1332,
&end
#
#  84  LYS HA  84  LYS QD
 &rst iat= 1326, -1, r1= 0, r2= 0, r3= 4.704, r4= 5.264,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1334,1335,
&end
#
#  84  LYS QB  84  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= 1328,1329,
igr2= 1334,1335,
&end
#
#  84  LYS QB  84  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= 1328,1329,
igr2= 1337,1338,
&end
#
#  84  LYS QG  84  LYS QE
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 4.89216, r4= 5.51936,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1331,1332,
igr2= 1337,1338,
&end
#
#  84  LYS H  85  VAL H
 &rst iat= 1324,1346, r1= 0, r2= 0, r3= 3.4, r4= 3.9,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  84  LYS H  85  VAL HA
 &rst iat= 1324,1348, r1= 0, r2= 0, r3= 5.1, r4= 5.6,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  84  LYS H  85  VAL QG
 &rst iat= 1324, -1, r1= 0, r2= 0, r3= 6.615, r4= 7.29,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1352,1353,1354,1356,1357,1358,
&end
#
#  84  LYS QB  85  VAL H
 &rst iat= -1,1346, r1= 0, r2= 0, r3= 4.032, r4= 4.592,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1328,1329,
&end
#
#  84  LYS QB  85  VAL HA
 &rst iat= -1,1348, r1= 0, r2= 0, r3= 5.264, r4= 5.824,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1328,1329,
&end
#
#  84  LYS QB  85  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= 1328,1329,
igr2= 1352,1353,1354,1356,1357,1358,
&end
#
#  84  LYS QG  85  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= 1331,1332,
igr2= 1352,1353,1354,1356,1357,1358,
&end
#
#  84  LYS QD  85  VAL H
 &rst iat= -1,1346, r1= 0, r2= 0, r3= 5.6, r4= 6.16,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1334,1335,
&end
#
#  84  LYS QD  85  VAL HA
 &rst iat= -1,1348, r1= 0, r2= 0, r3= 5.152, r4= 5.712,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1334,1335,
&end
#
#  84  LYS QD  85  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= 1334,1335,
igr2= 1352,1353,1354,1356,1357,1358,
&end
#
#  84  LYS QE  85  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= 1337,1338,
igr2= 1352,1353,1354,1356,1357,1358,
&end
#
#  84  LYS H  86  LYS H
 &rst iat= 1324,1362, r1= 0, r2= 0, r3= 5.2, r4= 5.7,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  84  LYS H  87  LYS H
 &rst iat= 1324,1384, r1= 0, r2= 0, r3= 5.2, r4= 5.7,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  84  LYS H  87  LYS QB
 &rst iat= 1324, -1, r1= 0, r2= 0, r3= 5.712, r4= 6.272,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1388,1389,
&end
#
#  84  LYS HA  87  LYS H
 &rst iat= 1326,1384, r1= 0, r2= 0, r3= 4.6, r4= 5.1,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  84  LYS HA  87  LYS QD
 &rst iat= 1326, -1, r1= 0, r2= 0, r3= 5.488, r4= 6.048,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1394,1395,
&end
#
#  84  LYS H  88  THR H
 &rst iat= 1324,1406, r1= 0, r2= 0, r3= 5.5, r4= 6,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  84  LYS QD  88  THR HB
 &rst iat= -1,1410, r1= 0, r2= 0, r3= 4.928, r4= 5.488,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1334,1335,
&end
#
#  85  VAL H  85  VAL HB
 &rst iat= 1346,1350, r1= 0, r2= 0, r3= 3.6, r4= 4.1,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  85  VAL H  85  VAL QG
 &rst iat= 1346, -1, r1= 0, r2= 0, r3= 4.05, r4= 4.725,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1352,1353,1354,1356,1357,1358,
&end
#
#  85  VAL HA  85  VAL QG
 &rst iat= 1348, -1, r1= 0, r2= 0, r3= 4.185, r4= 4.86,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1352,1353,1354,1356,1357,1358,
&end
#
#  85  VAL H  86  LYS H
 &rst iat= 1346,1362, r1= 0, r2= 0, r3= 3.5, r4= 4,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  85  VAL HB  86  LYS H
 &rst iat= 1350,1362, r1= 0, r2= 0, r3= 3.9, r4= 4.4,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  85  VAL QG  86  LYS H
 &rst iat= -1,1362, r1= 0, r2= 0, r3= 5.13, r4= 5.805,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1352,1353,1354,1356,1357,1358,
&end
#
#  85  VAL QG  86  LYS HA
 &rst iat= -1,1364, r1= 0, r2= 0, r3= 6.21, r4= 6.885,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1352,1353,1354,1356,1357,1358,
&end
#
#  85  VAL QG  86  LYS QG
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.7456, r4= 6.5016,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1352,1353,1354,1356,1357,1358,
igr2= 1369,1370,
&end
#
#  85  VAL H  87  LYS H
 &rst iat= 1346,1384, r1= 0, r2= 0, r3= 4.1, r4= 4.6,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  85  VAL QG  87  LYS H
 &rst iat= -1,1384, r1= 0, r2= 0, r3= 7.425, r4= 8.1,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1352,1353,1354,1356,1357,1358,
&end
#
#  85  VAL H  88  THR H
 &rst iat= 1346,1406, r1= 0, r2= 0, r3= 4.9, r4= 5.4,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  85  VAL H  88  THR HB
 &rst iat= 1346,1410, r1= 0, r2= 0, r3= 5.5, r4= 6,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  85  VAL HA  88  THR H
 &rst iat= 1348,1406, r1= 0, r2= 0, r3= 4.1, r4= 4.6,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  85  VAL HA  88  THR HA
 &rst iat= 1348,1408, r1= 0, r2= 0, r3= 5.3, r4= 5.8,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  85  VAL HA  88  THR HB
 &rst iat= 1348,1410, r1= 0, r2= 0, r3= 4.1, r4= 4.6,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  85  VAL HA  88  THR QG2
 &rst iat= 1348, -1, r1= 0, r2= 0, r3= 6, r4= 6.6,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1412,1413,1414,
&end
#
#  85  VAL QG  88  THR H
 &rst iat= -1,1406, r1= 0, r2= 0, r3= 7.02, r4= 7.695,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1352,1353,1354,1356,1357,1358,
&end
#
#  85  VAL QG  88  THR HB
 &rst iat= -1,1410, r1= 0, r2= 0, r3= 6.48, r4= 7.155,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1352,1353,1354,1356,1357,1358,
&end
#
#  85  VAL QG  88  THR QG2
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 8.586, r4= 9.396,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1352,1353,1354,1356,1357,1358,
igr2= 1412,1413,1414,
&end
#
#  85  VAL QG  89  ALA H
 &rst iat= -1,1420, r1= 0, r2= 0, r3= 5.805, r4= 6.48,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1352,1353,1354,1356,1357,1358,
&end
#
#  85  VAL QG  89  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= 1352,1353,1354,1356,1357,1358,
igr2= 1424,1425,1426,
&end
#
#  86  LYS H  86  LYS QB
 &rst iat= 1362, -1, r1= 0, r2= 0, r3= 3.696, r4= 4.256,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1366,1367,
&end
#
#  86  LYS H  86  LYS QG
 &rst iat= 1362, -1, r1= 0, r2= 0, r3= 4.368, r4= 4.928,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1369,1370,
&end
#
#  86  LYS H  86  LYS QD
 &rst iat= 1362, -1, r1= 0, r2= 0, r3= 5.152, r4= 5.712,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1372,1373,
&end
#
#  86  LYS H  86  LYS QE
 &rst iat= 1362, -1, r1= 0, r2= 0, r3= 5.936, r4= 6.496,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1375,1376,
&end
#
#  86  LYS HA  86  LYS QG
 &rst iat= 1364, -1, r1= 0, r2= 0, r3= 4.256, r4= 4.816,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1369,1370,
&end
#
#  86  LYS HA  86  LYS QD
 &rst iat= 1364, -1, r1= 0, r2= 0, r3= 5.6, r4= 6.16,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1372,1373,
&end
#
#  86  LYS HA  86  LYS QE
 &rst iat= 1364, -1, r1= 0, r2= 0, r3= 4.816, r4= 5.376,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1375,1376,
&end
#
#  86  LYS QB  86  LYS QG
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 3.63776, r4= 4.26496,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1366,1367,
igr2= 1369,1370,
&end
#
#  86  LYS QB  86  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= 1366,1367,
igr2= 1372,1373,
&end
#
#  86  LYS QB  86  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= 1366,1367,
igr2= 1375,1376,
&end
#
#  86  LYS QG  86  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= 1369,1370,
igr2= 1375,1376,
&end
#
#  86  LYS H  87  LYS H
 &rst iat= 1362,1384, r1= 0, r2= 0, r3= 3.4, r4= 3.9,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  86  LYS QB  87  LYS H
 &rst iat= -1,1384, r1= 0, r2= 0, r3= 4.032, r4= 4.592,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1366,1367,
&end
#
#  86  LYS QG  87  LYS H
 &rst iat= -1,1384, r1= 0, r2= 0, r3= 5.6, r4= 6.16,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1369,1370,
&end
#
#  86  LYS H  88  THR H
 &rst iat= 1362,1406, r1= 0, r2= 0, r3= 4.8, r4= 5.3,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  86  LYS HA  88  THR H
 &rst iat= 1364,1406, r1= 0, r2= 0, r3= 5, r4= 5.5,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  86  LYS HA  89  ALA H
 &rst iat= 1364,1420, r1= 0, r2= 0, r3= 4.1, r4= 4.6,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  86  LYS HA  89  ALA QB
 &rst iat= 1364, -1, r1= 0, r2= 0, r3= 4.8, r4= 5.4,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1424,1425,1426,
&end
#
#  86  LYS HA  90  GLU H
 &rst iat= 1364,1430, r1= 0, r2= 0, r3= 4.8, r4= 5.3,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  86  LYS QB  90  GLU H
 &rst iat= -1,1430, r1= 0, r2= 0, r3= 5.6, r4= 6.16,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1366,1367,
&end
#
#  87  LYS H  87  LYS QB
 &rst iat= 1384, -1, r1= 0, r2= 0, r3= 3.36, r4= 3.92,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1388,1389,
&end
#
#  87  LYS H  87  LYS QD
 &rst iat= 1384, -1, r1= 0, r2= 0, r3= 5.376, r4= 5.936,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1394,1395,
&end
#
#  87  LYS HA  87  LYS QG
 &rst iat= 1386, -1, r1= 0, r2= 0, r3= 3.92, r4= 4.48,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1391,1392,
&end
#
#  87  LYS HA  87  LYS QD
 &rst iat= 1386, -1, r1= 0, r2= 0, r3= 4.144, r4= 4.704,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1394,1395,
&end
#
#  87  LYS HA  87  LYS QE
 &rst iat= 1386, -1, r1= 0, r2= 0, r3= 5.152, r4= 5.712,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1397,1398,
&end
#
#  87  LYS QB  87  LYS QD
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 4.51584, r4= 5.14304,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1388,1389,
igr2= 1394,1395,
&end
#
#  87  LYS QG  87  LYS QD
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 3.51232, r4= 4.13952,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1391,1392,
igr2= 1394,1395,
&end
#
#  87  LYS QG  87  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= 1391,1392,
igr2= 1397,1398,
&end
#
#  87  LYS QD  87  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= 1394,1395,
igr2= 1397,1398,
&end
#
#  87  LYS H  88  THR H
 &rst iat= 1384,1406, r1= 0, r2= 0, r3= 3.4, r4= 3.9,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  87  LYS HA  88  THR HA
 &rst iat= 1386,1408, r1= 0, r2= 0, r3= 4.8, r4= 5.3,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  87  LYS QB  88  THR H
 &rst iat= -1,1406, r1= 0, r2= 0, r3= 4.256, r4= 4.816,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1388,1389,
&end
#
#  87  LYS QB  88  THR HA
 &rst iat= -1,1408, r1= 0, r2= 0, r3= 5.488, r4= 6.048,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1388,1389,
&end
#
#  87  LYS QG  88  THR H
 &rst iat= -1,1406, r1= 0, r2= 0, r3= 5.376, r4= 5.936,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1391,1392,
&end
#
#  87  LYS QD  88  THR H
 &rst iat= -1,1406, r1= 0, r2= 0, r3= 5.376, r4= 5.936,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1394,1395,
&end
#
#  87  LYS H  89  ALA H
 &rst iat= 1384,1420, r1= 0, r2= 0, r3= 4.8, r4= 5.3,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  87  LYS H  89  ALA QB
 &rst iat= 1384, -1, r1= 0, r2= 0, r3= 5.88, r4= 6.48,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1424,1425,1426,
&end
#
#  87  LYS H  90  GLU H
 &rst iat= 1384,1430, r1= 0, r2= 0, r3= 5.2, r4= 5.7,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  87  LYS HA  90  GLU H
 &rst iat= 1386,1430, r1= 0, r2= 0, r3= 4, r4= 4.5,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  87  LYS HA  90  GLU QG
 &rst iat= 1386, -1, r1= 0, r2= 0, r3= 4.032, r4= 4.592,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1437,1438,
&end
#
#  87  LYS HA  91  ALA QB
 &rst iat= 1386, -1, r1= 0, r2= 0, r3= 5.16, r4= 5.76,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1449,1450,1451,
&end
#
#  88  THR H  88  THR HB
 &rst iat= 1406,1410, r1= 0, r2= 0, r3= 3.4, r4= 3.9,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  88  THR H  88  THR QG2
 &rst iat= 1406, -1, r1= 0, r2= 0, r3= 4.44, r4= 5.04,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1412,1413,1414,
&end
#
#  88  THR HA  88  THR QG2
 &rst iat= 1408, -1, r1= 0, r2= 0, r3= 3.6, r4= 4.2,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1412,1413,1414,
&end
#
#  88  THR H  89  ALA QB
 &rst iat= 1406, -1, r1= 0, r2= 0, r3= 5.64, r4= 6.24,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1424,1425,1426,
&end
#
#  88  THR HB  89  ALA QB
 &rst iat= 1410, -1, r1= 0, r2= 0, r3= 5.64, r4= 6.24,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1424,1425,1426,
&end
#
#  88  THR QG2  89  ALA H
 &rst iat= -1,1420, r1= 0, r2= 0, r3= 5.4, r4= 6,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1412,1413,1414,
&end
#
#  88  THR QG2  89  ALA HA
 &rst iat= -1,1422, r1= 0, r2= 0, r3= 5.76, r4= 6.36,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1412,1413,1414,
&end
#
#  88  THR QG2  89  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= 1412,1413,1414,
igr2= 1424,1425,1426,
&end
#
#  88  THR H  90  GLU H
 &rst iat= 1406,1430, r1= 0, r2= 0, r3= 4.2, r4= 4.7,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  88  THR HA  90  GLU H
 &rst iat= 1408,1430, r1= 0, r2= 0, r3= 4.8, r4= 5.3,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  88  THR H  91  ALA QB
 &rst iat= 1406, -1, r1= 0, r2= 0, r3= 5.04, r4= 5.64,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1449,1450,1451,
&end
#
#  88  THR HA  91  ALA H
 &rst iat= 1408,1445, r1= 0, r2= 0, r3= 4.3, r4= 4.8,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  88  THR HA  91  ALA QB
 &rst iat= 1408, -1, r1= 0, r2= 0, r3= 3.96, r4= 4.56,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1449,1450,1451,
&end
#
#  88  THR HB  91  ALA QB
 &rst iat= 1410, -1, r1= 0, r2= 0, r3= 6.24, r4= 6.84,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1449,1450,1451,
&end
#
#  88  THR QG2  91  ALA QB
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.616, r4= 6.336,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1412,1413,1414,
igr2= 1449,1450,1451,
&end
#
#  88  THR QG2  93  GLY H
 &rst iat= -1,1462, r1= 0, r2= 0, r3= 5.4, r4= 6,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1412,1413,1414,
&end
#
#  88  THR QG2  93  GLY QA
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 4.8384, r4= 5.5104,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1412,1413,1414,
igr2= 1464,1465,
&end
#
#  88  THR QG2  94  VAL H
 &rst iat= -1,1469, r1= 0, r2= 0, r3= 6.6, r4= 7.2,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1412,1413,1414,
&end
#
#  88  THR QG2  94  VAL HA
 &rst iat= -1,1471, r1= 0, r2= 0, r3= 5.16, r4= 5.76,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1412,1413,1414,
&end
#
#  88  THR QG2  94  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= 1412,1413,1414,
igr2= 1475,1476,1477,1479,1480,1481,
&end
#
#  88  THR QG2  95  THR QG2
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 7.776, r4= 8.496,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1412,1413,1414,
igr2= 1491,1492,1493,
&end
#
#  89  ALA H  89  ALA QB
 &rst iat= 1420, -1, r1= 0, r2= 0, r3= 3.48, r4= 4.08,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1424,1425,1426,
&end
#
#  89  ALA H  90  GLU H
 &rst iat= 1420,1430, r1= 0, r2= 0, r3= 3.4, r4= 3.9,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  89  ALA H  90  GLU HA
 &rst iat= 1420,1432, r1= 0, r2= 0, r3= 5.1, r4= 5.6,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  89  ALA H  90  GLU QB
 &rst iat= 1420, -1, r1= 0, r2= 0, r3= 5.824, r4= 6.384,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1434,1435,
&end
#
#  89  ALA H  90  GLU QG
 &rst iat= 1420, -1, r1= 0, r2= 0, r3= 5.376, r4= 5.936,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1437,1438,
&end
#
#  89  ALA QB  90  GLU H
 &rst iat= -1,1430, r1= 0, r2= 0, r3= 3.84, r4= 4.44,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1424,1425,1426,
&end
#
#  89  ALA QB  90  GLU HA
 &rst iat= -1,1432, r1= 0, r2= 0, r3= 5.04, r4= 5.64,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1424,1425,1426,
&end
#
#  89  ALA QB  90  GLU QB
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.5856, r4= 7.2576,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1424,1425,1426,
igr2= 1434,1435,
&end
#
#  89  ALA QB  90  GLU QG
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.3168, r4= 6.9888,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1424,1425,1426,
igr2= 1437,1438,
&end
#
#  89  ALA HA  91  ALA H
 &rst iat= 1422,1445, r1= 0, r2= 0, r3= 4.7, r4= 5.2,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  89  ALA HA  91  ALA QB
 &rst iat= 1422, -1, r1= 0, r2= 0, r3= 6.36, r4= 6.96,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1449,1450,1451,
&end
#
#  89  ALA QB  91  ALA H
 &rst iat= -1,1445, r1= 0, r2= 0, r3= 6, r4= 6.6,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1424,1425,1426,
&end
#
#  89  ALA HA  92  GLY H
 &rst iat= 1422,1455, r1= 0, r2= 0, r3= 4.5, r4= 5,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  90  GLU H  90  GLU QB
 &rst iat= 1430, -1, r1= 0, r2= 0, r3= 3.36, r4= 3.92,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1434,1435,
&end
#
#  90  GLU H  90  GLU QG
 &rst iat= 1430, -1, r1= 0, r2= 0, r3= 4.144, r4= 4.704,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1437,1438,
&end
#
#  90  GLU HA  90  GLU QB
 &rst iat= 1432, -1, r1= 0, r2= 0, r3= 3.248, r4= 3.808,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1434,1435,
&end
#
#  90  GLU HA  90  GLU QG
 &rst iat= 1432, -1, r1= 0, r2= 0, r3= 3.92, r4= 4.48,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1437,1438,
&end
#
#  90  GLU H  91  ALA H
 &rst iat= 1430,1445, r1= 0, r2= 0, r3= 3.3, r4= 3.8,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  90  GLU H  91  ALA HA
 &rst iat= 1430,1447, r1= 0, r2= 0, r3= 5.4, r4= 5.9,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  90  GLU H  91  ALA QB
 &rst iat= 1430, -1, r1= 0, r2= 0, r3= 5.28, r4= 5.88,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1449,1450,1451,
&end
#
#  90  GLU HA  91  ALA H
 &rst iat= 1432,1445, r1= 0, r2= 0, r3= 3.6, r4= 4.1,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  90  GLU HA  91  ALA HA
 &rst iat= 1432,1447, r1= 0, r2= 0, r3= 4.8, r4= 5.3,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  90  GLU QB  91  ALA H
 &rst iat= -1,1445, r1= 0, r2= 0, r3= 4.032, r4= 4.592,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1434,1435,
&end
#
#  90  GLU QB  91  ALA HA
 &rst iat= -1,1447, r1= 0, r2= 0, r3= 5.04, r4= 5.6,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1434,1435,
&end
#
#  90  GLU QB  91  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= 1434,1435,
igr2= 1449,1450,1451,
&end
#
#  90  GLU QG  91  ALA H
 &rst iat= -1,1445, r1= 0, r2= 0, r3= 5.264, r4= 5.824,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1437,1438,
&end
#
#  90  GLU QG  91  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= 1437,1438,
igr2= 1449,1450,1451,
&end
#
#  90  GLU H  92  GLY H
 &rst iat= 1430,1455, r1= 0, r2= 0, r3= 4.5, r4= 5,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  91  ALA H  91  ALA QB
 &rst iat= 1445, -1, r1= 0, r2= 0, r3= 3.12, r4= 3.72,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1449,1450,1451,
&end
#
#  91  ALA H  92  GLY H
 &rst iat= 1445,1455, r1= 0, r2= 0, r3= 3.4, r4= 3.9,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  91  ALA QB  92  GLY H
 &rst iat= -1,1455, r1= 0, r2= 0, r3= 4.32, r4= 4.92,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1449,1450,1451,
&end
#
#  91  ALA HA  93  GLY H
 &rst iat= 1447,1462, r1= 0, r2= 0, r3= 5.5, r4= 6,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  91  ALA QB  93  GLY H
 &rst iat= -1,1462, r1= 0, r2= 0, r3= 5.76, r4= 6.36,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1449,1450,1451,
&end
#
#  91  ALA QB  93  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= 1449,1450,1451,
igr2= 1464,1465,
&end
#
#  91  ALA QB  94  VAL H
 &rst iat= -1,1469, r1= 0, r2= 0, r3= 6.6, r4= 7.2,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1449,1450,1451,
&end
#
#  91  ALA QB  94  VAL HA
 &rst iat= -1,1471, r1= 0, r2= 0, r3= 6.48, r4= 7.08,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1449,1450,1451,
&end
#
#  91  ALA QB  94  VAL HB
 &rst iat= -1,1473, r1= 0, r2= 0, r3= 6.24, r4= 6.84,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1449,1450,1451,
&end
#
#  91  ALA QB  94  VAL QG
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 8.1, r4= 8.91,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1449,1450,1451,
igr2= 1475,1476,1477,1479,1480,1481,
&end
#
#  93  GLY H  94  VAL H
 &rst iat= 1462,1469, r1= 0, r2= 0, r3= 4, r4= 4.5,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  93  GLY QA  94  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= 1464,1465,
igr2= 1475,1476,1477,1479,1480,1481,
&end
#
#  94  VAL H  94  VAL HB
 &rst iat= 1469,1473, r1= 0, r2= 0, r3= 3.6, r4= 4.1,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  94  VAL H  94  VAL QG
 &rst iat= 1469, -1, r1= 0, r2= 0, r3= 4.995, r4= 5.67,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1475,1476,1477,1479,1480,1481,
&end
#
#  94  VAL HA  94  VAL QG
 &rst iat= 1471, -1, r1= 0, r2= 0, r3= 3.915, r4= 4.59,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1475,1476,1477,1479,1480,1481,
&end
#
#  94  VAL H  95  THR H
 &rst iat= 1469,1485, r1= 0, r2= 0, r3= 4.9, r4= 5.4,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  94  VAL HA  95  THR QG2
 &rst iat= 1471, -1, r1= 0, r2= 0, r3= 4.56, r4= 5.16,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1491,1492,1493,
&end
#
#  94  VAL HB  95  THR H
 &rst iat= 1473,1485, r1= 0, r2= 0, r3= 5.2, r4= 5.7,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  94  VAL QG  95  THR H
 &rst iat= -1,1485, r1= 0, r2= 0, r3= 7.29, r4= 7.965,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1475,1476,1477,1479,1480,1481,
&end
#
#  94  VAL QG  95  THR HA
 &rst iat= -1,1487, r1= 0, r2= 0, r3= 6.615, r4= 7.29,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1475,1476,1477,1479,1480,1481,
&end
#
#  94  VAL QG  95  THR QG2
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.318, r4= 7.128,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1475,1476,1477,1479,1480,1481,
igr2= 1491,1492,1493,
&end
#
#  94  VAL QG  96  GLY QA
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.3504, r4= 7.1064,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1475,1476,1477,1479,1480,1481,
igr2= 1501,1502,
&end
#
#  95  THR H  95  THR QG2
 &rst iat= 1485, -1, r1= 0, r2= 0, r3= 5.88, r4= 6.48,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1491,1492,1493,
&end
#
#  95  THR HA  95  THR HB
 &rst iat= 1487,1489, r1= 0, r2= 0, r3= 3, r4= 3.5,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  95  THR HA  95  THR QG2
 &rst iat= 1487, -1, r1= 0, r2= 0, r3= 3.96, r4= 4.56,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1491,1492,1493,
&end
#
#  95  THR HA  96  GLY QA
 &rst iat= 1487, -1, r1= 0, r2= 0, r3= 4.704, r4= 5.264,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1501,1502,
&end
#
#  95  THR HB  96  GLY QA
 &rst iat= 1489, -1, r1= 0, r2= 0, r3= 4.816, r4= 5.376,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1501,1502,
&end
#
#  96  GLY QA  97  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= 1501,1502,
igr2= 1519,1520,
&end
#
#  97  LYS HA  97  LYS QE
 &rst iat= 1508, -1, r1= 0, r2= 0, r3= 5.824, r4= 6.384,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1519,1520,
&end
#
#  97  LYS QB  97  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= 1510,1511,
igr2= 1516,1517,
&end
#
#  97  LYS QG  97  LYS QD
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 3.01056, r4= 3.63776,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1513,1514,
igr2= 1516,1517,
&end
#
#  97  LYS QB  98  GLY QA
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.26848, r4= 5.89568,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1510,1511,
igr2= 1530,1531,
&end
#
#  98  GLY QA  99  GLN HA
 &rst iat= -1,1537, r1= 0, r2= 0, r3= 4.816, r4= 5.376,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1530,1531,
&end
#
#  98  GLY QA  99  GLN QB
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.26848, r4= 5.89568,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1530,1531,
igr2= 1539,1540,
&end
#
#  99  GLN QB  99  GLN QG
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 3.51232, r4= 4.13952,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1539,1540,
igr2= 1542,1543,
&end
#
#  99  GLN HA  100  ASP QB
 &rst iat= 1537, -1, r1= 0, r2= 0, r3= 5.04, r4= 5.6,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1556,1557,
&end
#
#  99  GLN QG  100  ASP H
 &rst iat= -1,1552, r1= 0, r2= 0, r3= 5.6, r4= 6.16,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1542,1543,
&end
#
#  100  ASP HA  100  ASP QB
 &rst iat= 1554, -1, r1= 0, r2= 0, r3= 3.248, r4= 3.808,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1556,1557,
&end
#
#  100  ASP H  101  GLY H
 &rst iat= 1552,1564, r1= 0, r2= 0, r3= 4.7, r4= 5.2,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  100  ASP QB  101  GLY H
 &rst iat= -1,1564, r1= 0, r2= 0, r3= 5.488, r4= 6.048,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1556,1557,
&end
#
#  101  GLY H  102  ILE H
 &rst iat= 1564,1571, r1= 0, r2= 0, r3= 4.9, r4= 5.4,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  101  GLY H  102  ILE HB
 &rst iat= 1564,1575, r1= 0, r2= 0, r3= 5.3, r4= 5.8,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  101  GLY QA  102  ILE HA
 &rst iat= -1,1573, r1= 0, r2= 0, r3= 4.592, r4= 5.152,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1566,1567,
&end
#
#  101  GLY QA  102  ILE QG2
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.1072, r4= 5.7792,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1566,1567,
igr2= 1577,1578,1579,
&end
#
#  102  ILE H  102  ILE HB
 &rst iat= 1571,1575, r1= 0, r2= 0, r3= 4.2, r4= 4.7,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  102  ILE HA  102  ILE QG1
 &rst iat= 1573, -1, r1= 0, r2= 0, r3= 4.256, r4= 4.816,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1581,1582,
&end
#
#  102  ILE HA  102  ILE QG2
 &rst iat= 1573, -1, r1= 0, r2= 0, r3= 4.44, r4= 5.04,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1577,1578,1579,
&end
#
#  102  ILE HA  102  ILE QD1
 &rst iat= 1573, -1, r1= 0, r2= 0, r3= 5.76, r4= 6.36,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1584,1585,1586,
&end
#
#  102  ILE HA  103  GLY QA
 &rst iat= 1573, -1, r1= 0, r2= 0, r3= 4.48, r4= 5.04,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1592,1593,
&end
#
#  102  ILE QG2  103  GLY QA
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.7792, r4= 6.4512,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1577,1578,1579,
igr2= 1592,1593,
&end
#
#  104  SER HA  104  SER QB
 &rst iat= 1599, -1, r1= 0, r2= 0, r3= 3.36, r4= 3.92,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1601,1602,
&end
#
#  105  LYS H  105  LYS QG
 &rst iat= 1608, -1, r1= 0, r2= 0, r3= 5.824, r4= 6.384,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1615,1616,
&end
#
#  105  LYS HA  105  LYS QG
 &rst iat= 1610, -1, r1= 0, r2= 0, r3= 4.144, r4= 4.704,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1615,1616,
&end
#
#  105  LYS QB  105  LYS QG
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 3.7632, r4= 4.3904,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1612,1613,
igr2= 1615,1616,
&end
#
#  105  LYS QB  106  ALA H
 &rst iat= -1,1630, r1= 0, r2= 0, r3= 5.824, r4= 6.384,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1612,1613,
&end
#
#  105  LYS QG  106  ALA HA
 &rst iat= -1,1632, r1= 0, r2= 0, r3= 5.152, r4= 5.712,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1615,1616,
&end
#
#  106  ALA H  107  GLU H
 &rst iat= 1630,1640, r1= 0, r2= 0, r3= 4, r4= 4.5,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  106  ALA HA  107  GLU HA
 &rst iat= 1632,1642, r1= 0, r2= 0, r3= 4.6, r4= 5.1,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#


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