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
8982 1n87 5594 cing 1-original 1 AMBER distance NOE simple


#
# 2  LEU  HN    2  LEU  HA      3.15
 &rst
  ixpk= 0, nxpk= 0, iat=  19,  21, r1= 1.30, r2= 1.80, r3= 3.15, r4= 3.65, 
      rk2=32.0, rk3=32.0, ir6=1, ialtd=0,
 &end
#
# 2  LEU  HN    2  LEU  QB      4.45
 &rst
  ixpk= 0, nxpk= 0, iat=  19,  -1, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49,
 igr2=  23,  24,
 &end
#
# 2  LEU  HN    2  LEU  QB      5.35
 &rst
  ixpk= 0, nxpk= 0, iat=  19,  -1, r1= 1.30, r2= 1.80, r3= 6.01, r4= 6.51,
 igr2=  23,  24,
 &end
#
# 2  LEU  HN    2  LEU  QQD      6.76
 &rst
  ixpk= 0, nxpk= 0, iat=  19,  25, r1= 1.30, r2= 1.80, r3= 6.76, r4= 7.26,  &end
#
# 2  LEU  HN    3  CYS  HN      4.72
 &rst
  ixpk= 0, nxpk= 0, iat=  19,  38, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,  &end
#
# 2  LEU  HN    3  CYS  HN      4.82
 &rst
  ixpk= 0, nxpk= 0, iat=  19,  38, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32,  &end
#
# 2  LEU  HA    3  CYS  HN      2.83
 &rst
  ixpk= 0, nxpk= 0, iat=  21,  38, r1= 1.30, r2= 1.80, r3= 2.83, r4= 3.33,  &end
#
# 2  LEU  HA    7  GLY  HN      5.74
 &rst
  ixpk= 0, nxpk= 0, iat=  21,  89, r1= 1.30, r2= 1.80, r3= 5.74, r4= 6.24,  &end
#
# 2  LEU  HA    22  ILE  HN      5.78
 &rst
  ixpk= 0, nxpk= 0, iat=  21, 341, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28,  &end
#
# 2  LEU  QB    3  CYS  HN      4.54
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  38, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
 igr1=  23,  24,
 &end
#
# 3  CYS  HN    3  CYS  HA      2.95
 &rst
  ixpk= 0, nxpk= 0, iat=  38,  40, r1= 1.30, r2= 1.80, r3= 2.95, r4= 3.45,  &end
#
# 3  CYS  HN    3  CYS  HB2      3.36
 &rst
  ixpk= 0, nxpk= 0, iat=  38,  42, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,  &end
#
# 3  CYS  HN    3  CYS  HB3      3.3
 &rst
  ixpk= 0, nxpk= 0, iat=  38,  43, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
# 3  CYS  HN    4  ALA  HN      4.72
 &rst
  ixpk= 0, nxpk= 0, iat=  38,  49, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,  &end
#
# 3  CYS  HN    4  ALA  HN      5.9
 &rst
  ixpk= 0, nxpk= 0, iat=  38,  49, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,  &end
#
# 3  CYS  HN    5  ILE  HN      5.9
 &rst
  ixpk= 0, nxpk= 0, iat=  38,  59, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,  &end
#
# 3  CYS  HN    6  SER  HN      5.37
 &rst
  ixpk= 0, nxpk= 0, iat=  38,  78, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,  &end
#
# 3  CYS  HN    6  SER  HN      5.12
 &rst
  ixpk= 0, nxpk= 0, iat=  38,  78, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,  &end
#
# 3  CYS  HN    7  GLY  HN      4.19
 &rst
  ixpk= 0, nxpk= 0, iat=  38,  89, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69,  &end
#
# 3  CYS  HN    7  GLY  HN      3.82
 &rst
  ixpk= 0, nxpk= 0, iat=  38,  89, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32,  &end
#
# 3  CYS  HN    8  LYS+  HN      3.73
 &rst
  ixpk= 0, nxpk= 0, iat=  38,  96, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23,  &end
#
# 3  CYS  HN    8  LYS+  HN      3.61
 &rst
  ixpk= 0, nxpk= 0, iat=  38,  96, r1= 1.30, r2= 1.80, r3= 3.61, r4= 4.11,  &end
#
# 3  CYS  HN    23  PHE  HA      4.78
 &rst
  ixpk= 0, nxpk= 0, iat=  38, 362, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28,  &end
#
# 3  CYS  HN    24  GLU-  HN      5.16
 &rst
  ixpk= 0, nxpk= 0, iat=  38, 380, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,  &end
#
# 3  CYS  HA    24  GLU-  HN      3.99
 &rst
  ixpk= 0, nxpk= 0, iat=  40, 380, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49,  &end
#
# 3  CYS  HB2    4  ALA  HN      4.1
 &rst
  ixpk= 0, nxpk= 0, iat=  42,  49, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,  &end
#
# 3  CYS  HB2    5  ILE  HN      5.65
 &rst
  ixpk= 0, nxpk= 0, iat=  42,  59, r1= 1.30, r2= 1.80, r3= 5.65, r4= 6.15,  &end
#
# 3  CYS  HB2    6  SER  HN      4.69
 &rst
  ixpk= 0, nxpk= 0, iat=  42,  78, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19,  &end
#
# 3  CYS  HB2    7  GLY  HN      3.95
 &rst
  ixpk= 0, nxpk= 0, iat=  42,  89, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45,  &end
#
# 3  CYS  HB2    8  LYS+  HN      3.98
 &rst
  ixpk= 0, nxpk= 0, iat=  42,  96, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48,  &end
#
# 3  CYS  HB2    24  GLU-  HN      5.06
 &rst
  ixpk= 0, nxpk= 0, iat=  42, 380, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,  &end
#
# 3  CYS  HB3    4  ALA  HN      3.85
 &rst
  ixpk= 0, nxpk= 0, iat=  43,  49, r1= 1.30, r2= 1.80, r3= 3.85, r4= 4.35,  &end
#
# 3  CYS  HB3    5  ILE  HN      5.56
 &rst
  ixpk= 0, nxpk= 0, iat=  43,  59, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,  &end
#
# 3  CYS  HB3    6  SER  HN      4.26
 &rst
  ixpk= 0, nxpk= 0, iat=  43,  78, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76,  &end
#
# 3  CYS  HB3    7  GLY  HN      3.61
 &rst
  ixpk= 0, nxpk= 0, iat=  43,  89, r1= 1.30, r2= 1.80, r3= 3.61, r4= 4.11,  &end
#
# 3  CYS  HB3    8  LYS+  HN      4.16
 &rst
  ixpk= 0, nxpk= 0, iat=  43,  96, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66,  &end
#
# 3  CYS  HB3    24  GLU-  HN      3.93
 &rst
  ixpk= 0, nxpk= 0, iat=  43, 380, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,  &end
#
# 3  CYS  HG    5  ILE  HN      5.9
 &rst
  ixpk= 0, nxpk= 0, iat=  45,  59, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,  &end
#
# 3  CYS  HG    6  SER  HN      5.44
 &rst
  ixpk= 0, nxpk= 0, iat=  45,  78, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94,  &end
#
# 3  CYS  HG    7  GLY  HN      5.9
 &rst
  ixpk= 0, nxpk= 0, iat=  45,  89, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,  &end
#
# 3  CYS  HG    8  LYS+  HN      5.9
 &rst
  ixpk= 0, nxpk= 0, iat=  45,  96, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,  &end
#
# 4  ALA  HN    4  ALA  HA      3.09
 &rst
  ixpk= 0, nxpk= 0, iat=  49,  51, r1= 1.30, r2= 1.80, r3= 3.09, r4= 3.59,  &end
#
# 4  ALA  HN    4  ALA  QB      3.83
 &rst
  ixpk= 0, nxpk= 0, iat=  49,  -1, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
 igr2=  53,  54,  55,
 &end
#
# 4  ALA  HN    5  ILE  HN      3.48
 &rst
  ixpk= 0, nxpk= 0, iat=  49,  59, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98,  &end
#
# 4  ALA  HN    5  ILE  HN      3.51
 &rst
  ixpk= 0, nxpk= 0, iat=  49,  59, r1= 1.30, r2= 1.80, r3= 3.51, r4= 4.01,  &end
#
# 4  ALA  HN    5  ILE  QG1      6.53
 &rst
  ixpk= 0, nxpk= 0, iat=  49,  -1, r1= 1.30, r2= 1.80, r3= 7.33, r4= 7.83,
 igr2=  69,  70,
 &end
#
# 4  ALA  HN    6  SER  HN      5
 &rst
  ixpk= 0, nxpk= 0, iat=  49,  78, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 4  ALA  HN    7  GLY  HN      5.09
 &rst
  ixpk= 0, nxpk= 0, iat=  49,  89, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,  &end
#
# 4  ALA  HN    7  GLY  HN      5.03
 &rst
  ixpk= 0, nxpk= 0, iat=  49,  89, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,  &end
#
# 4  ALA  HN    21  THR  HB      5.9
 &rst
  ixpk= 0, nxpk= 0, iat=  49, 331, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,  &end
#
# 4  ALA  HN    21  THR  QG2      5.84
 &rst
  ixpk= 0, nxpk= 0, iat=  49,  -1, r1= 1.30, r2= 1.80, r3= 7.01, r4= 7.51,
 igr2= 333, 334, 335,
 &end
#
# 4  ALA  HN    22  ILE  HN      5.65
 &rst
  ixpk= 0, nxpk= 0, iat=  49, 341, r1= 1.30, r2= 1.80, r3= 5.65, r4= 6.15,  &end
#
# 4  ALA  HN    22  ILE  QG2      6.87
 &rst
  ixpk= 0, nxpk= 0, iat=  49,  -1, r1= 1.30, r2= 1.80, r3= 8.25, r4= 8.75,
 igr2= 347, 348, 349,
 &end
#
# 4  ALA  HN    23  PHE  HN      5.65
 &rst
  ixpk= 0, nxpk= 0, iat=  49, 360, r1= 1.30, r2= 1.80, r3= 5.65, r4= 6.15,  &end
#
# 4  ALA  HN    23  PHE  HN      5.28
 &rst
  ixpk= 0, nxpk= 0, iat=  49, 360, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,  &end
#
# 4  ALA  HN    23  PHE  HA      3.3
 &rst
  ixpk= 0, nxpk= 0, iat=  49, 362, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
# 4  ALA  HN    23  PHE  HB3      5.9
 &rst
  ixpk= 0, nxpk= 0, iat=  49, 365, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,  &end
#
# 4  ALA  HN    24  GLU-  HN      4.69
 &rst
  ixpk= 0, nxpk= 0, iat=  49, 380, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19,  &end
#
# 4  ALA  HN    24  GLU-  HN      4.6
 &rst
  ixpk= 0, nxpk= 0, iat=  49, 380, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,  &end
#
# 4  ALA  QB    21  THR  HN      6.93
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 327, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1=  53,  54,  55,
 &end
#
# 4  ALA  QB    22  ILE  HN      6.12
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 341, r1= 1.30, r2= 1.80, r3= 7.35, r4= 7.85,
 igr1=  53,  54,  55,
 &end
#
# 5  ILE  HN    5  ILE  HA      3.12
 &rst
  ixpk= 0, nxpk= 0, iat=  59,  61, r1= 1.30, r2= 1.80, r3= 3.12, r4= 3.62,  &end
#
# 5  ILE  HN    5  ILE  HB      2.8
 &rst
  ixpk= 0, nxpk= 0, iat=  59,  63, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
# 5  ILE  HN    5  ILE  QG1      4.48
 &rst
  ixpk= 0, nxpk= 0, iat=  59,  -1, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,
 igr2=  69,  70,
 &end
#
# 5  ILE  HN    5  ILE  QD1      4.82
 &rst
  ixpk= 0, nxpk= 0, iat=  59,  -1, r1= 1.30, r2= 1.80, r3= 5.79, r4= 6.29,
 igr2=  72,  73,  74,
 &end
#
# 5  ILE  HN    6  SER  HN      3.17
 &rst
  ixpk= 0, nxpk= 0, iat=  59,  78, r1= 1.30, r2= 1.80, r3= 3.17, r4= 3.67,  &end
#
# 5  ILE  HN    6  SER  HN      2.99
 &rst
  ixpk= 0, nxpk= 0, iat=  59,  78, r1= 1.30, r2= 1.80, r3= 2.99, r4= 3.49,  &end
#
# 5  ILE  HN    6  SER  HA      5.44
 &rst
  ixpk= 0, nxpk= 0, iat=  59,  80, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94,  &end
#
# 5  ILE  HN    6  SER  QB      5.26
 &rst
  ixpk= 0, nxpk= 0, iat=  59,  -1, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,
 igr2=  82,  83,
 &end
#
# 5  ILE  HN    7  GLY  HN      3.98
 &rst
  ixpk= 0, nxpk= 0, iat=  59,  89, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48,  &end
#
# 5  ILE  HN    7  GLY  HN      3.82
 &rst
  ixpk= 0, nxpk= 0, iat=  59,  89, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32,  &end
#
# 5  ILE  HN    8  LYS+  HN      5.71
 &rst
  ixpk= 0, nxpk= 0, iat=  59,  96, r1= 1.30, r2= 1.80, r3= 5.71, r4= 6.21,  &end
#
# 5  ILE  HN    23  PHE  HA      4.44
 &rst
  ixpk= 0, nxpk= 0, iat=  59, 362, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,  &end
#
# 5  ILE  HN    23  PHE  HB2      5.9
 &rst
  ixpk= 0, nxpk= 0, iat=  59, 364, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,  &end
#
# 5  ILE  HN    23  PHE  HB3      5.9
 &rst
  ixpk= 0, nxpk= 0, iat=  59, 365, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,  &end
#
# 5  ILE  HN    27  LEU  HG      5.9
 &rst
  ixpk= 0, nxpk= 0, iat=  59, 435, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,  &end
#
# 5  ILE  HA    6  SER  HN      3.67
 &rst
  ixpk= 0, nxpk= 0, iat=  61,  78, r1= 1.30, r2= 1.80, r3= 3.67, r4= 4.17,  &end
#
# 5  ILE  HB    6  SER  HN      3.2
 &rst
  ixpk= 0, nxpk= 0, iat=  63,  78, r1= 1.30, r2= 1.80, r3= 3.20, r4= 3.70,  &end
#
# 5  ILE  HB    7  GLY  HN      4.44
 &rst
  ixpk= 0, nxpk= 0, iat=  63,  89, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,  &end
#
# 5  ILE  QD1    6  SER  HN      6.43
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  78, r1= 1.30, r2= 1.80, r3= 7.72, r4= 8.22,
 igr1=  72,  73,  74,
 &end
#
# 5  ILE  QD1    7  GLY  HN      6.93
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  89, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1=  72,  73,  74,
 &end
#
# 5  ILE  QD1    24  GLU-  HN      6.31
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 380, r1= 1.30, r2= 1.80, r3= 7.58, r4= 8.08,
 igr1=  72,  73,  74,
 &end
#
# 5  ILE  QD1    28  LEU  HN      6.03
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 447, r1= 1.30, r2= 1.80, r3= 7.24, r4= 7.74,
 igr1=  72,  73,  74,
 &end
#
# 5  ILE  QD1    31  TYR  HN      6.93
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 498, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1=  72,  73,  74,
 &end
#
# 6  SER  HN    6  SER  HA      3.61
 &rst
  ixpk= 0, nxpk= 0, iat=  78,  80, r1= 1.30, r2= 1.80, r3= 3.61, r4= 4.11,  &end
#
# 6  SER  HN    7  GLY  HN      3.17
 &rst
  ixpk= 0, nxpk= 0, iat=  78,  89, r1= 1.30, r2= 1.80, r3= 3.17, r4= 3.67,  &end
#
# 6  SER  HN    7  GLY  HN      3.42
 &rst
  ixpk= 0, nxpk= 0, iat=  78,  89, r1= 1.30, r2= 1.80, r3= 3.42, r4= 3.92,  &end
#
# 6  SER  HN    7  GLY  HA1      4.66
 &rst
  ixpk= 0, nxpk= 0, iat=  78,  91, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,  &end
#
# 6  SER  HN    8  LYS+  HN      4.1
 &rst
  ixpk= 0, nxpk= 0, iat=  78,  96, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,  &end
#
# 6  SER  HN    27  LEU  HG      5.9
 &rst
  ixpk= 0, nxpk= 0, iat=  78, 435, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,  &end
#
# 6  SER  HN    27  LEU  QD2      5.25
 &rst
  ixpk= 0, nxpk= 0, iat=  78,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr2= 441, 442, 443,
 &end
#
# 6  SER  HA    7  GLY  HN      3.67
 &rst
  ixpk= 0, nxpk= 0, iat=  80,  89, r1= 1.30, r2= 1.80, r3= 3.67, r4= 4.17,  &end
#
# 6  SER  HA    8  LYS+  HN      4.51
 &rst
  ixpk= 0, nxpk= 0, iat=  80,  96, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01,  &end
#
# 7  GLY  HN    7  GLY  HA1      2.83
 &rst
  ixpk= 0, nxpk= 0, iat=  89,  91, r1= 1.30, r2= 1.80, r3= 2.83, r4= 3.33,  &end
#
# 7  GLY  HN    7  GLY  HA2      2.83
 &rst
  ixpk= 0, nxpk= 0, iat=  89,  92, r1= 1.30, r2= 1.80, r3= 2.83, r4= 3.33,  &end
#
# 7  GLY  HN    8  LYS+  HN      3.11
 &rst
  ixpk= 0, nxpk= 0, iat=  89,  96, r1= 1.30, r2= 1.80, r3= 3.11, r4= 3.61,  &end
#
# 7  GLY  HN    8  LYS+  HN      3.05
 &rst
  ixpk= 0, nxpk= 0, iat=  89,  96, r1= 1.30, r2= 1.80, r3= 3.05, r4= 3.55,  &end
#
# 7  GLY  HN    8  LYS+  HA      5.62
 &rst
  ixpk= 0, nxpk= 0, iat=  89,  98, r1= 1.30, r2= 1.80, r3= 5.62, r4= 6.12,  &end
#
# 7  GLY  HN    8  LYS+  HB3      4.19
 &rst
  ixpk= 0, nxpk= 0, iat=  89, 101, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69,  &end
#
# 7  GLY  HN    8  LYS+  QD      6.03
 &rst
  ixpk= 0, nxpk= 0, iat=  89,  -1, r1= 1.30, r2= 1.80, r3= 6.77, r4= 7.27,
 igr2= 106, 107,
 &end
#
# 7  GLY  HN    23  PHE  HA      5.9
 &rst
  ixpk= 0, nxpk= 0, iat=  89, 362, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,  &end
#
# 7  GLY  HN    23  PHE  HB3      5.9
 &rst
  ixpk= 0, nxpk= 0, iat=  89, 365, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,  &end
#
# 7  GLY  HN    27  LEU  QD1      5.78
 &rst
  ixpk= 0, nxpk= 0, iat=  89,  -1, r1= 1.30, r2= 1.80, r3= 6.94, r4= 7.44,
 igr2= 437, 438, 439,
 &end
#
# 7  GLY  HA1    8  LYS+  HN      3.45
 &rst
  ixpk= 0, nxpk= 0, iat=  91,  96, r1= 1.30, r2= 1.80, r3= 3.45, r4= 3.95,  &end
#
# 7  GLY  HA2    8  LYS+  HN      3.28
 &rst
  ixpk= 0, nxpk= 0, iat=  92,  96, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78,  &end
#
# 8  LYS+  HN    8  LYS+  HA      3.2
 &rst
  ixpk= 0, nxpk= 0, iat=  96,  98, r1= 1.30, r2= 1.80, r3= 3.20, r4= 3.70,  &end
#
# 8  LYS+  HN    8  LYS+  QB      4.08
 &rst
  ixpk= 0, nxpk= 0, iat=  96,  -1, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
 igr2= 100, 101,
 &end
#
# 8  LYS+  HN    8  LYS+  QG      4.7
 &rst
  ixpk= 0, nxpk= 0, iat=  96,  -1, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
 igr2= 103, 104,
 &end
#
# 8  LYS+  HN    8  LYS+  QD      4.3
 &rst
  ixpk= 0, nxpk= 0, iat=  96,  -1, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
 igr2= 106, 107,
 &end
#
# 8  LYS+  HN    9  VAL  HN      5.9
 &rst
  ixpk= 0, nxpk= 0, iat=  96, 118, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,  &end
#
# 8  LYS+  HN    9  VAL  QQG      7.12
 &rst
  ixpk= 0, nxpk= 0, iat=  96, 121, r1= 1.30, r2= 1.80, r3= 7.12, r4= 7.62,  &end
#
# 8  LYS+  HA    9  VAL  HN      2.8
 &rst
  ixpk= 0, nxpk= 0, iat=  98, 118, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
# 8  LYS+  QB    9  VAL  HN      4.14
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 118, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,
 igr1= 100, 101,
 &end
#
# 8  LYS+  QD    9  VAL  HN      4.92
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 118, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02,
 igr1= 106, 107,
 &end
#
# 8  LYS+  QE    9  VAL  HN      6.78
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 118, r1= 1.30, r2= 1.80, r3= 7.61, r4= 8.11,
 igr1= 109, 110,
 &end
#
# 9  VAL  HN    9  VAL  HA      3.17
 &rst
  ixpk= 0, nxpk= 0, iat= 118, 120, r1= 1.30, r2= 1.80, r3= 3.17, r4= 3.67,  &end
#
# 9  VAL  HN    9  VAL  HB      2.8
 &rst
  ixpk= 0, nxpk= 0, iat= 118, 122, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
# 9  VAL  HN    9  VAL  QQG      4.92
 &rst
  ixpk= 0, nxpk= 0, iat= 118, 121, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,  &end
#
# 10  PRO  HA    11  ARG+  HN      2.8
 &rst
  ixpk= 0, nxpk= 0, iat= 144, 148, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
# 11  ARG+  N    25  LYS+  HN      5.9
 &rst
  ixpk= 0, nxpk= 0, iat= 147, 395, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,  &end
#
# 11  ARG+  HN    11  ARG+  HA      3.11
 &rst
  ixpk= 0, nxpk= 0, iat= 148, 150, r1= 1.30, r2= 1.80, r3= 3.11, r4= 3.61,  &end
#
# 11  ARG+  HN    11  ARG+  QB      4.33
 &rst
  ixpk= 0, nxpk= 0, iat= 148,  -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
 igr2= 152, 153,
 &end
#
# 11  ARG+  HN    11  ARG+  QG      5.51
 &rst
  ixpk= 0, nxpk= 0, iat= 148,  -1, r1= 1.30, r2= 1.80, r3= 6.18, r4= 6.68,
 igr2= 155, 156,
 &end
#
# 11  ARG+  HN    11  ARG+  QD      6.75
 &rst
  ixpk= 0, nxpk= 0, iat= 148,  -1, r1= 1.30, r2= 1.80, r3= 7.58, r4= 8.08,
 igr2= 158, 159,
 &end
#
# 11  ARG+  HN    12  ARG+  HN      2.86
 &rst
  ixpk= 0, nxpk= 0, iat= 148, 172, r1= 1.30, r2= 1.80, r3= 2.86, r4= 3.36,  &end
#
# 11  ARG+  HN    12  ARG+  HN      2.9
 &rst
  ixpk= 0, nxpk= 0, iat= 148, 172, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40,  &end
#
# 11  ARG+  HN    13  PRO  HD3      5.9
 &rst
  ixpk= 0, nxpk= 0, iat= 148, 198, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,  &end
#
# 11  ARG+  HN    24  GLU-  QB      6.78
 &rst
  ixpk= 0, nxpk= 0, iat= 148,  -1, r1= 1.30, r2= 1.80, r3= 7.61, r4= 8.11,
 igr2= 384, 385,
 &end
#
# 11  ARG+  HN    24  GLU-  QG      6.78
 &rst
  ixpk= 0, nxpk= 0, iat= 148,  -1, r1= 1.30, r2= 1.80, r3= 7.61, r4= 8.11,
 igr2= 387, 388,
 &end
#
# 11  ARG+  HN    25  LYS+  HN      5.9
 &rst
  ixpk= 0, nxpk= 0, iat= 148, 395, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,  &end
#
# 11  ARG+  HN    27  LEU  QD2      6.93
 &rst
  ixpk= 0, nxpk= 0, iat= 148,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr2= 441, 442, 443,
 &end
#
# 11  ARG+  HA    12  ARG+  HN      3.53
 &rst
  ixpk= 0, nxpk= 0, iat= 150, 172, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,  &end
#
# 12  ARG+  HN    12  ARG+  HA      3.33
 &rst
  ixpk= 0, nxpk= 0, iat= 172, 174, r1= 1.30, r2= 1.80, r3= 3.33, r4= 3.83,  &end
#
# 12  ARG+  HN    12  ARG+  QB      3.68
 &rst
  ixpk= 0, nxpk= 0, iat= 172,  -1, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63,
 igr2= 176, 177,
 &end
#
# 12  ARG+  HN    12  ARG+  QG      3.86
 &rst
  ixpk= 0, nxpk= 0, iat= 172,  -1, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,
 igr2= 179, 180,
 &end
#
# 12  ARG+  HN    12  ARG+  QD      5.78
 &rst
  ixpk= 0, nxpk= 0, iat= 172,  -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
 igr2= 182, 183,
 &end
#
# 12  ARG+  HN    13  PRO  HD2      4.63
 &rst
  ixpk= 0, nxpk= 0, iat= 172, 197, r1= 1.30, r2= 1.80, r3= 4.63, r4= 5.13,  &end
#
# 12  ARG+  HN    13  PRO  HD3      4.04
 &rst
  ixpk= 0, nxpk= 0, iat= 172, 198, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,  &end
#
# 12  ARG+  HN    24  GLU-  QB      6.78
 &rst
  ixpk= 0, nxpk= 0, iat= 172,  -1, r1= 1.30, r2= 1.80, r3= 7.61, r4= 8.11,
 igr2= 384, 385,
 &end
#
# 12  ARG+  HN    25  LYS+  HN      4.1
 &rst
  ixpk= 0, nxpk= 0, iat= 172, 395, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,  &end
#
# 12  ARG+  HN    25  LYS+  HN      3.85
 &rst
  ixpk= 0, nxpk= 0, iat= 172, 395, r1= 1.30, r2= 1.80, r3= 3.85, r4= 4.35,  &end
#
# 12  ARG+  HN    26  SER  HN      4.41
 &rst
  ixpk= 0, nxpk= 0, iat= 172, 417, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,  &end
#
# 12  ARG+  HN    27  LEU  QD2      6.43
 &rst
  ixpk= 0, nxpk= 0, iat= 172,  -1, r1= 1.30, r2= 1.80, r3= 7.72, r4= 8.22,
 igr2= 441, 442, 443,
 &end
#
# 12  ARG+  QD    25  LYS+  HN      6.78
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 395, r1= 1.30, r2= 1.80, r3= 7.61, r4= 8.11,
 igr1= 182, 183,
 &end
#
# 13  PRO  HA    14  VAL  HN      4.58
 &rst
  ixpk= 0, nxpk= 0, iat= 206, 210, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,  &end
#
# 13  PRO  HD3    14  VAL  HN      4.8
 &rst
  ixpk= 0, nxpk= 0, iat= 198, 210, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,  &end
#
# 14  VAL  HN    14  VAL  HA      3.54
 &rst
  ixpk= 0, nxpk= 0, iat= 210, 212, r1= 1.30, r2= 1.80, r3= 3.54, r4= 4.04,  &end
#
# 14  VAL  HN    14  VAL  HB      3.76
 &rst
  ixpk= 0, nxpk= 0, iat= 210, 214, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26,  &end
#
# 14  VAL  HN    14  VAL  QG1      4.26
 &rst
  ixpk= 0, nxpk= 0, iat= 210,  -1, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
 igr2= 216, 217, 218,
 &end
#
# 14  VAL  HN    15  LEU  HN      4.78
 &rst
  ixpk= 0, nxpk= 0, iat= 210, 226, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28,  &end
#
# 14  VAL  HN    15  LEU  HN      4.57
 &rst
  ixpk= 0, nxpk= 0, iat= 210, 226, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07,  &end
#
# 14  VAL  HN    15  LEU  HN      4.6
 &rst
  ixpk= 0, nxpk= 0, iat= 210, 226, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,  &end
#
# 14  VAL  HN    22  ILE  HA      4.02
 &rst
  ixpk= 0, nxpk= 0, iat= 210, 343, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52,  &end
#
# 14  VAL  HN    22  ILE  QG2      4.14
 &rst
  ixpk= 0, nxpk= 0, iat= 210,  -1, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47,
 igr2= 347, 348, 349,
 &end
#
# 14  VAL  HN    23  PHE  HN      3.54
 &rst
  ixpk= 0, nxpk= 0, iat= 210, 360, r1= 1.30, r2= 1.80, r3= 3.54, r4= 4.04,  &end
#
# 14  VAL  HN    23  PHE  HA      4.66
 &rst
  ixpk= 0, nxpk= 0, iat= 210, 362, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,  &end
#
# 14  VAL  HN    23  PHE  HB2      5.2
 &rst
  ixpk= 0, nxpk= 0, iat= 210, 364, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,  &end
#
# 14  VAL  HN    53  ILE  HB      4.72
 &rst
  ixpk= 0, nxpk= 0, iat= 210, 839, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,  &end
#
# 14  VAL  HA    15  LEU  HN      2.89
 &rst
  ixpk= 0, nxpk= 0, iat= 212, 226, r1= 1.30, r2= 1.80, r3= 2.89, r4= 3.39,  &end
#
# 14  VAL  HA    53  ILE  HN      4.04
 &rst
  ixpk= 0, nxpk= 0, iat= 212, 835, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,  &end
#
# 14  VAL  HB    25  LYS+  HN      4.01
 &rst
  ixpk= 0, nxpk= 0, iat= 214, 395, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51,  &end
#
# 14  VAL  QG1    15  LEU  HN      4.17
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 226, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51,
 igr1= 216, 217, 218,
 &end
#
# 14  VAL  QG1    23  PHE  HN      4.94
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 360, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43,
 igr1= 216, 217, 218,
 &end
#
# 14  VAL  QG1    25  LYS+  HN      4.08
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 395, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,
 igr1= 216, 217, 218,
 &end
#
# 14  VAL  QG1    53  ILE  HN      5.53
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 835, r1= 1.30, r2= 1.80, r3= 6.64, r4= 7.14,
 igr1= 216, 217, 218,
 &end
#
# 15  LEU  HN    15  LEU  HA      3.36
 &rst
  ixpk= 0, nxpk= 0, iat= 226, 228, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,  &end
#
# 15  LEU  HN    15  LEU  HB2      3.2
 &rst
  ixpk= 0, nxpk= 0, iat= 226, 230, r1= 1.30, r2= 1.80, r3= 3.20, r4= 3.70,  &end
#
# 15  LEU  HN    15  LEU  HB3      3.14
 &rst
  ixpk= 0, nxpk= 0, iat= 226, 231, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,  &end
#
# 15  LEU  HN    15  LEU  QQD      6.36
 &rst
  ixpk= 0, nxpk= 0, iat= 226, 232, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,  &end
#
# 15  LEU  HN    16  SER  HN      4.57
 &rst
  ixpk= 0, nxpk= 0, iat= 226, 245, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07,  &end
#
# 15  LEU  HN    23  PHE  HN      6.1
 &rst
  ixpk= 0, nxpk= 0, iat= 226, 360, r1= 1.30, r2= 1.80, r3= 6.10, r4= 6.60,  &end
#
# 15  LEU  HN    51  VAL  HN      3.26
 &rst
  ixpk= 0, nxpk= 0, iat= 226, 804, r1= 1.30, r2= 1.80, r3= 3.26, r4= 3.76,  &end
#
# 15  LEU  HN    51  VAL  HN      3.51
 &rst
  ixpk= 0, nxpk= 0, iat= 226, 804, r1= 1.30, r2= 1.80, r3= 3.51, r4= 4.01,  &end
#
# 15  LEU  HN    52  GLU-  HA      3.36
 &rst
  ixpk= 0, nxpk= 0, iat= 226, 822, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,  &end
#
# 15  LEU  HN    53  ILE  HN      4.16
 &rst
  ixpk= 0, nxpk= 0, iat= 226, 835, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66,  &end
#
# 15  LEU  HA    16  SER  HN      3.02
 &rst
  ixpk= 0, nxpk= 0, iat= 228, 245, r1= 1.30, r2= 1.80, r3= 3.02, r4= 3.52,  &end
#
# 15  LEU  HA    23  PHE  HN      4.44
 &rst
  ixpk= 0, nxpk= 0, iat= 228, 360, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,  &end
#
# 15  LEU  HA    51  VAL  HN      6.04
 &rst
  ixpk= 0, nxpk= 0, iat= 228, 804, r1= 1.30, r2= 1.80, r3= 6.04, r4= 6.54,  &end
#
# 15  LEU  HB3    16  SER  HN      4.69
 &rst
  ixpk= 0, nxpk= 0, iat= 231, 245, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19,  &end
#
# 15  LEU  QQD    18  LYS+  HN      8.03
 &rst
  ixpk= 0, nxpk= 0, iat= 232, 270, r1= 1.30, r2= 1.80, r3= 8.03, r4= 8.53,  &end
#
# 15  LEU  QQD    19  SER  HN      8.03
 &rst
  ixpk= 0, nxpk= 0, iat= 232, 292, r1= 1.30, r2= 1.80, r3= 8.03, r4= 8.53,  &end
#
# 15  LEU  QQD    20  ARG+  HN      6.58
 &rst
  ixpk= 0, nxpk= 0, iat= 232, 303, r1= 1.30, r2= 1.80, r3= 6.58, r4= 7.08,  &end
#
# 15  LEU  QQD    21  THR  HN      6.67
 &rst
  ixpk= 0, nxpk= 0, iat= 232, 327, r1= 1.30, r2= 1.80, r3= 6.67, r4= 7.17,  &end
#
# 15  LEU  QQD    51  VAL  HN      8.03
 &rst
  ixpk= 0, nxpk= 0, iat= 232, 804, r1= 1.30, r2= 1.80, r3= 8.03, r4= 8.53,  &end
#
# 16  SER  HN    16  SER  HA      4.04
 &rst
  ixpk= 0, nxpk= 0, iat= 245, 247, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,  &end
#
# 16  SER  HN    18  LYS+  HN      4.72
 &rst
  ixpk= 0, nxpk= 0, iat= 245, 270, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,  &end
#
# 16  SER  HN    19  SER  HN      5.9
 &rst
  ixpk= 0, nxpk= 0, iat= 245, 292, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,  &end
#
# 16  SER  HN    20  ARG+  HN      4.54
 &rst
  ixpk= 0, nxpk= 0, iat= 245, 303, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,  &end
#
# 16  SER  HN    21  THR  HN      4.75
 &rst
  ixpk= 0, nxpk= 0, iat= 245, 327, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25,  &end
#
# 16  SER  HA    18  LYS+  HN      3.95
 &rst
  ixpk= 0, nxpk= 0, iat= 247, 270, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45,  &end
#
# 16  SER  HA    19  SER  HN      5.78
 &rst
  ixpk= 0, nxpk= 0, iat= 247, 292, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28,  &end
#
# 16  SER  HA    51  VAL  HN      3.7
 &rst
  ixpk= 0, nxpk= 0, iat= 247, 804, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,  &end
#
# 18  LYS+  HN    18  LYS+  HA      3.12
 &rst
  ixpk= 0, nxpk= 0, iat= 270, 272, r1= 1.30, r2= 1.80, r3= 3.12, r4= 3.62,  &end
#
# 18  LYS+  HN    18  LYS+  HB2      3.08
 &rst
  ixpk= 0, nxpk= 0, iat= 270, 274, r1= 1.30, r2= 1.80, r3= 3.08, r4= 3.58,  &end
#
# 18  LYS+  HN    18  LYS+  HB3      3.79
 &rst
  ixpk= 0, nxpk= 0, iat= 270, 275, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29,  &end
#
# 18  LYS+  HN    18  LYS+  QG      4.67
 &rst
  ixpk= 0, nxpk= 0, iat= 270,  -1, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,
 igr2= 277, 278,
 &end
#
# 18  LYS+  HN    18  LYS+  QD      6.78
 &rst
  ixpk= 0, nxpk= 0, iat= 270,  -1, r1= 1.30, r2= 1.80, r3= 7.61, r4= 8.11,
 igr2= 280, 281,
 &end
#
# 18  LYS+  HN    18  LYS+  QD      4.67
 &rst
  ixpk= 0, nxpk= 0, iat= 270,  -1, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,
 igr2= 280, 281,
 &end
#
# 18  LYS+  HN    18  LYS+  QE      6.78
 &rst
  ixpk= 0, nxpk= 0, iat= 270,  -1, r1= 1.30, r2= 1.80, r3= 7.61, r4= 8.11,
 igr2= 283, 284,
 &end
#
# 18  LYS+  HN    19  SER  HN      3.11
 &rst
  ixpk= 0, nxpk= 0, iat= 270, 292, r1= 1.30, r2= 1.80, r3= 3.11, r4= 3.61,  &end
#
# 18  LYS+  HN    19  SER  HN      2.95
 &rst
  ixpk= 0, nxpk= 0, iat= 270, 292, r1= 1.30, r2= 1.80, r3= 2.95, r4= 3.45,  &end
#
# 18  LYS+  HN    19  SER  QB      4.61
 &rst
  ixpk= 0, nxpk= 0, iat= 270,  -1, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67,
 igr2= 296, 297,
 &end
#
# 18  LYS+  HN    20  ARG+  HN      3.92
 &rst
  ixpk= 0, nxpk= 0, iat= 270, 303, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42,  &end
#
# 18  LYS+  HN    20  ARG+  HN      3.51
 &rst
  ixpk= 0, nxpk= 0, iat= 270, 303, r1= 1.30, r2= 1.80, r3= 3.51, r4= 4.01,  &end
#
# 18  LYS+  HA    19  SER  HN      3.6
 &rst
  ixpk= 0, nxpk= 0, iat= 272, 292, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,  &end
#
# 18  LYS+  HA    20  ARG+  HN      5.53
 &rst
  ixpk= 0, nxpk= 0, iat= 272, 303, r1= 1.30, r2= 1.80, r3= 5.53, r4= 6.03,  &end
#
# 18  LYS+  HB2    19  SER  HN      3.23
 &rst
  ixpk= 0, nxpk= 0, iat= 274, 292, r1= 1.30, r2= 1.80, r3= 3.23, r4= 3.73,  &end
#
# 18  LYS+  HB2    20  ARG+  HN      5.06
 &rst
  ixpk= 0, nxpk= 0, iat= 274, 303, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,  &end
#
# 18  LYS+  HB2    43  GLU-  HN      5.9
 &rst
  ixpk= 0, nxpk= 0, iat= 274, 677, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,  &end
#
# 18  LYS+  HB3    19  SER  HN      3.36
 &rst
  ixpk= 0, nxpk= 0, iat= 275, 292, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,  &end
#
# 18  LYS+  QG    19  SER  HN      5.16
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 292, r1= 1.30, r2= 1.80, r3= 5.79, r4= 6.29,
 igr1= 277, 278,
 &end
#
# 18  LYS+  QD    19  SER  HN      5.47
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 292, r1= 1.30, r2= 1.80, r3= 6.14, r4= 6.64,
 igr1= 280, 281,
 &end
#
# 18  LYS+  QD    46  SER  HN      6.78
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 725, r1= 1.30, r2= 1.80, r3= 7.61, r4= 8.11,
 igr1= 280, 281,
 &end
#
# 18  LYS+  QE    46  SER  HN      6.78
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 725, r1= 1.30, r2= 1.80, r3= 7.61, r4= 8.11,
 igr1= 283, 284,
 &end
#
# 19  SER  HN    19  SER  HA      3.36
 &rst
  ixpk= 0, nxpk= 0, iat= 292, 294, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,  &end
#
# 19  SER  HN    19  SER  QB      6.78
 &rst
  ixpk= 0, nxpk= 0, iat= 292,  -1, r1= 1.30, r2= 1.80, r3= 7.61, r4= 8.11,
 igr2= 296, 297,
 &end
#
# 19  SER  HN    20  ARG+  HN      3.05
 &rst
  ixpk= 0, nxpk= 0, iat= 292, 303, r1= 1.30, r2= 1.80, r3= 3.05, r4= 3.55,  &end
#
# 19  SER  HN    20  ARG+  HA      5.9
 &rst
  ixpk= 0, nxpk= 0, iat= 292, 305, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,  &end
#
# 19  SER  HN    21  THR  QG2      5.13
 &rst
  ixpk= 0, nxpk= 0, iat= 292,  -1, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66,
 igr2= 333, 334, 335,
 &end
#
# 19  SER  HN    38  ASP-  HB2      5.9
 &rst
  ixpk= 0, nxpk= 0, iat= 292, 608, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,  &end
#
# 19  SER  HN    38  ASP-  HB3      4.63
 &rst
  ixpk= 0, nxpk= 0, iat= 292, 609, r1= 1.30, r2= 1.80, r3= 4.63, r4= 5.13,  &end
#
# 19  SER  HA    20  ARG+  HN      3.98
 &rst
  ixpk= 0, nxpk= 0, iat= 294, 303, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48,  &end
#
# 19  SER  QB    40  ILE  HN      6.25
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 630, r1= 1.30, r2= 1.80, r3= 7.02, r4= 7.52,
 igr1= 296, 297,
 &end
#
# 19  SER  QB    41  THR  HN      6.53
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 649, r1= 1.30, r2= 1.80, r3= 7.33, r4= 7.83,
 igr1= 296, 297,
 &end
#
# 20  ARG+  HN    20  ARG+  HA      3.23
 &rst
  ixpk= 0, nxpk= 0, iat= 303, 305, r1= 1.30, r2= 1.80, r3= 3.23, r4= 3.73,  &end
#
# 20  ARG+  HN    20  ARG+  QB      4.98
 &rst
  ixpk= 0, nxpk= 0, iat= 303,  -1, r1= 1.30, r2= 1.80, r3= 5.59, r4= 6.09,
 igr2= 307, 308,
 &end
#
# 20  ARG+  HN    20  ARG+  QG      4.61
 &rst
  ixpk= 0, nxpk= 0, iat= 303,  -1, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67,
 igr2= 310, 311,
 &end
#
# 20  ARG+  HN    20  ARG+  QD      6.31
 &rst
  ixpk= 0, nxpk= 0, iat= 303,  -1, r1= 1.30, r2= 1.80, r3= 7.08, r4= 7.58,
 igr2= 313, 314,
 &end
#
# 20  ARG+  HN    21  THR  HN      3.42
 &rst
  ixpk= 0, nxpk= 0, iat= 303, 327, r1= 1.30, r2= 1.80, r3= 3.42, r4= 3.92,  &end
#
# 20  ARG+  HN    21  THR  QG2      5.5
 &rst
  ixpk= 0, nxpk= 0, iat= 303,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 333, 334, 335,
 &end
#
# 20  ARG+  QG    21  THR  HN      5.78
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 327, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
 igr1= 310, 311,
 &end
#
# 21  THR  HN    21  THR  HB      3.45
 &rst
  ixpk= 0, nxpk= 0, iat= 327, 331, r1= 1.30, r2= 1.80, r3= 3.45, r4= 3.95,  &end
#
# 21  THR  HN    21  THR  QG2      4.6
 &rst
  ixpk= 0, nxpk= 0, iat= 327,  -1, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02,
 igr2= 333, 334, 335,
 &end
#
# 21  THR  HA    22  ILE  HN      5.16
 &rst
  ixpk= 0, nxpk= 0, iat= 329, 341, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,  &end
#
# 21  THR  QG2    22  ILE  HN      6.09
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 341, r1= 1.30, r2= 1.80, r3= 7.31, r4= 7.81,
 igr1= 333, 334, 335,
 &end
#
# 22  ILE  HN    22  ILE  HA      5.9
 &rst
  ixpk= 0, nxpk= 0, iat= 341, 343, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,  &end
#
# 22  ILE  HN    22  ILE  HB      3.42
 &rst
  ixpk= 0, nxpk= 0, iat= 341, 345, r1= 1.30, r2= 1.80, r3= 3.42, r4= 3.92,  &end
#
# 22  ILE  HN    22  ILE  QG2      4.97
 &rst
  ixpk= 0, nxpk= 0, iat= 341,  -1, r1= 1.30, r2= 1.80, r3= 5.97, r4= 6.47,
 igr2= 347, 348, 349,
 &end
#
# 22  ILE  HN    22  ILE  QD1      5.47
 &rst
  ixpk= 0, nxpk= 0, iat= 341,  -1, r1= 1.30, r2= 1.80, r3= 6.57, r4= 7.07,
 igr2= 354, 355, 356,
 &end
#
# 22  ILE  HB    23  PHE  HN      4.19
 &rst
  ixpk= 0, nxpk= 0, iat= 345, 360, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69,  &end
#
# 22  ILE  QG2    23  PHE  HN      4.32
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 360, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,
 igr1= 347, 348, 349,
 &end
#
# 22  ILE  QG2    53  ILE  HN      6.62
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 835, r1= 1.30, r2= 1.80, r3= 7.95, r4= 8.45,
 igr1= 347, 348, 349,
 &end
#
# 22  ILE  QG1    23  PHE  HN      6.71
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 360, r1= 1.30, r2= 1.80, r3= 7.53, r4= 8.03,
 igr1= 351, 352,
 &end
#
# 23  PHE  HN    23  PHE  HA      4.35
 &rst
  ixpk= 0, nxpk= 0, iat= 360, 362, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85,  &end
#
# 23  PHE  HN    23  PHE  HB2      4.16
 &rst
  ixpk= 0, nxpk= 0, iat= 360, 364, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66,  &end
#
# 23  PHE  HN    23  PHE  HB3      3.88
 &rst
  ixpk= 0, nxpk= 0, iat= 360, 365, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38,  &end
#
# 23  PHE  HN    24  GLU-  HN      4.97
 &rst
  ixpk= 0, nxpk= 0, iat= 360, 380, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47,  &end
#
# 23  PHE  HA    24  GLU-  HN      3.11
 &rst
  ixpk= 0, nxpk= 0, iat= 362, 380, r1= 1.30, r2= 1.80, r3= 3.11, r4= 3.61,  &end
#
# 23  PHE  HB2    28  LEU  HN      4.19
 &rst
  ixpk= 0, nxpk= 0, iat= 364, 447, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69,  &end
#
# 24  GLU-  HN    24  GLU-  HA      3.54
 &rst
  ixpk= 0, nxpk= 0, iat= 380, 382, r1= 1.30, r2= 1.80, r3= 3.54, r4= 4.04,  &end
#
# 24  GLU-  HN    24  GLU-  QB      4.14
 &rst
  ixpk= 0, nxpk= 0, iat= 380,  -1, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,
 igr2= 384, 385,
 &end
#
# 24  GLU-  HN    27  LEU  HN      5.16
 &rst
  ixpk= 0, nxpk= 0, iat= 380, 428, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,  &end
#
# 24  GLU-  HN    27  LEU  HN      4.32
 &rst
  ixpk= 0, nxpk= 0, iat= 380, 428, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82,  &end
#
# 24  GLU-  HN    27  LEU  HG      5.9
 &rst
  ixpk= 0, nxpk= 0, iat= 380, 435, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,  &end
#
# 24  GLU-  HN    27  LEU  QD2      5.32
 &rst
  ixpk= 0, nxpk= 0, iat= 380,  -1, r1= 1.30, r2= 1.80, r3= 6.39, r4= 6.89,
 igr2= 441, 442, 443,
 &end
#
# 24  GLU-  HN    28  LEU  HN      4.85
 &rst
  ixpk= 0, nxpk= 0, iat= 380, 447, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,  &end
#
# 24  GLU-  HA    25  LYS+  HN      4.51
 &rst
  ixpk= 0, nxpk= 0, iat= 382, 395, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01,  &end
#
# 24  GLU-  HA    25  LYS+  HN      2.8
 &rst
  ixpk= 0, nxpk= 0, iat= 382, 395, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
# 24  GLU-  HA    27  LEU  HN      5.65
 &rst
  ixpk= 0, nxpk= 0, iat= 382, 428, r1= 1.30, r2= 1.80, r3= 5.65, r4= 6.15,  &end
#
# 24  GLU-  QB    25  LYS+  HN      4.95
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 395, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
 igr1= 384, 385,
 &end
#
# 24  GLU-  QB    26  SER  HN      4.42
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 417, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,
 igr1= 384, 385,
 &end
#
# 24  GLU-  QB    27  LEU  HN      4.3
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 428, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
 igr1= 384, 385,
 &end
#
# 25  LYS+  HN    25  LYS+  HA      3.17
 &rst
  ixpk= 0, nxpk= 0, iat= 395, 397, r1= 1.30, r2= 1.80, r3= 3.17, r4= 3.67,  &end
#
# 25  LYS+  HN    25  LYS+  QB      4.48
 &rst
  ixpk= 0, nxpk= 0, iat= 395,  -1, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,
 igr2= 399, 400,
 &end
#
# 25  LYS+  HN    26  SER  HN      3.36
 &rst
  ixpk= 0, nxpk= 0, iat= 395, 417, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,  &end
#
# 25  LYS+  HN    26  SER  HN      3.54
 &rst
  ixpk= 0, nxpk= 0, iat= 395, 417, r1= 1.30, r2= 1.80, r3= 3.54, r4= 4.04,  &end
#
# 25  LYS+  HN    26  SER  HA      5.16
 &rst
  ixpk= 0, nxpk= 0, iat= 395, 419, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,  &end
#
# 25  LYS+  HN    27  LEU  HN      4.54
 &rst
  ixpk= 0, nxpk= 0, iat= 395, 428, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,  &end
#
# 25  LYS+  HN    27  LEU  HN      5.4
 &rst
  ixpk= 0, nxpk= 0, iat= 395, 428, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,  &end
#
# 25  LYS+  HN    28  LEU  HN      5.47
 &rst
  ixpk= 0, nxpk= 0, iat= 395, 447, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,  &end
#
# 25  LYS+  HA    27  LEU  HN      4.91
 &rst
  ixpk= 0, nxpk= 0, iat= 397, 428, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,  &end
#
# 26  SER  HN    26  SER  HA      3.02
 &rst
  ixpk= 0, nxpk= 0, iat= 417, 419, r1= 1.30, r2= 1.80, r3= 3.02, r4= 3.52,  &end
#
# 26  SER  HN    26  SER  QB      3.86
 &rst
  ixpk= 0, nxpk= 0, iat= 417,  -1, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,
 igr2= 421, 422,
 &end
#
# 26  SER  HN    27  LEU  HN      3.26
 &rst
  ixpk= 0, nxpk= 0, iat= 417, 428, r1= 1.30, r2= 1.80, r3= 3.26, r4= 3.76,  &end
#
# 26  SER  HN    27  LEU  HN      3.17
 &rst
  ixpk= 0, nxpk= 0, iat= 417, 428, r1= 1.30, r2= 1.80, r3= 3.17, r4= 3.67,  &end
#
# 26  SER  HN    27  LEU  QQD      6.2
 &rst
  ixpk= 0, nxpk= 0, iat= 417, 434, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70,  &end
#
# 26  SER  HN    28  LEU  HN      4.44
 &rst
  ixpk= 0, nxpk= 0, iat= 417, 447, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,  &end
#
# 26  SER  HN    28  LEU  HN      4.32
 &rst
  ixpk= 0, nxpk= 0, iat= 417, 447, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82,  &end
#
# 26  SER  HN    29  GLU-  HN      5.78
 &rst
  ixpk= 0, nxpk= 0, iat= 417, 466, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28,  &end
#
# 27  LEU  HN    27  LEU  HA      3.19
 &rst
  ixpk= 0, nxpk= 0, iat= 428, 430, r1= 1.30, r2= 1.80, r3= 3.19, r4= 3.69,  &end
#
# 27  LEU  HN    27  LEU  QB      4.16
 &rst
  ixpk= 0, nxpk= 0, iat= 428,  -1, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,
 igr2= 432, 433,
 &end
#
# 27  LEU  HN    27  LEU  HG      2.8
 &rst
  ixpk= 0, nxpk= 0, iat= 428, 435, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
# 27  LEU  HN    27  LEU  QD1      3.98
 &rst
  ixpk= 0, nxpk= 0, iat= 428,  -1, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28,
 igr2= 437, 438, 439,
 &end
#
# 27  LEU  HN    27  LEU  QD2      4.39
 &rst
  ixpk= 0, nxpk= 0, iat= 428,  -1, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77,
 igr2= 441, 442, 443,
 &end
#
# 27  LEU  HN    28  LEU  HN      2.89
 &rst
  ixpk= 0, nxpk= 0, iat= 428, 447, r1= 1.30, r2= 1.80, r3= 2.89, r4= 3.39,  &end
#
# 27  LEU  HN    28  LEU  HN      2.92
 &rst
  ixpk= 0, nxpk= 0, iat= 428, 447, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42,  &end
#
# 27  LEU  HN    28  LEU  HA      5.9
 &rst
  ixpk= 0, nxpk= 0, iat= 428, 449, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,  &end
#
# 27  LEU  HN    28  LEU  QD1      6.93
 &rst
  ixpk= 0, nxpk= 0, iat= 428,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr2= 456, 457, 458,
 &end
#
# 27  LEU  HN    29  GLU-  HN      4.16
 &rst
  ixpk= 0, nxpk= 0, iat= 428, 466, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66,  &end
#
# 27  LEU  HN    29  GLU-  HN      3.95
 &rst
  ixpk= 0, nxpk= 0, iat= 428, 466, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45,  &end
#
# 27  LEU  HN    30  GLN  HN      4.82
 &rst
  ixpk= 0, nxpk= 0, iat= 428, 481, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32,  &end
#
# 27  LEU  HA    28  LEU  HN      4.38
 &rst
  ixpk= 0, nxpk= 0, iat= 430, 447, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,  &end
#
# 27  LEU  HA    30  GLN  HN      3.79
 &rst
  ixpk= 0, nxpk= 0, iat= 430, 481, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29,  &end
#
# 27  LEU  HA    31  TYR  HN      4.47
 &rst
  ixpk= 0, nxpk= 0, iat= 430, 498, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97,  &end
#
# 27  LEU  QB    28  LEU  HN      4.14
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 447, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,
 igr1= 432, 433,
 &end
#
# 28  LEU  HN    28  LEU  HA      3.05
 &rst
  ixpk= 0, nxpk= 0, iat= 447, 449, r1= 1.30, r2= 1.80, r3= 3.05, r4= 3.55,  &end
#
# 28  LEU  HN    28  LEU  QB      3.96
 &rst
  ixpk= 0, nxpk= 0, iat= 447,  -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
 igr2= 451, 452,
 &end
#
# 28  LEU  HN    28  LEU  QD1      4.97
 &rst
  ixpk= 0, nxpk= 0, iat= 447,  -1, r1= 1.30, r2= 1.80, r3= 5.97, r4= 6.47,
 igr2= 456, 457, 458,
 &end
#
# 28  LEU  HN    28  LEU  QQD      5.21
 &rst
  ixpk= 0, nxpk= 0, iat= 447, 453, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71,  &end
#
# 28  LEU  HN    29  GLU-  HN      2.99
 &rst
  ixpk= 0, nxpk= 0, iat= 447, 466, r1= 1.30, r2= 1.80, r3= 2.99, r4= 3.49,  &end
#
# 28  LEU  HN    29  GLU-  HN      2.99
 &rst
  ixpk= 0, nxpk= 0, iat= 447, 466, r1= 1.30, r2= 1.80, r3= 2.99, r4= 3.49,  &end
#
# 28  LEU  HN    30  GLN  HN      4.05
 &rst
  ixpk= 0, nxpk= 0, iat= 447, 481, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55,  &end
#
# 28  LEU  HN    31  TYR  HN      4.82
 &rst
  ixpk= 0, nxpk= 0, iat= 447, 498, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32,  &end
#
# 28  LEU  HA    29  GLU-  HN      4.32
 &rst
  ixpk= 0, nxpk= 0, iat= 449, 466, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82,  &end
#
# 28  LEU  QB    29  GLU-  HN      4.23
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 466, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25,
 igr1= 451, 452,
 &end
#
# 28  LEU  HG    29  GLU-  HN      5.9
 &rst
  ixpk= 0, nxpk= 0, iat= 454, 466, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,  &end
#
# 28  LEU  HG    31  TYR  HN      5.12
 &rst
  ixpk= 0, nxpk= 0, iat= 454, 498, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,  &end
#
# 28  LEU  HG    32  VAL  HN      5.9
 &rst
  ixpk= 0, nxpk= 0, iat= 454, 519, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,  &end
#
# 28  LEU  QD1    29  GLU-  HN      6.93
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 466, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 456, 457, 458,
 &end
#
# 28  LEU  QD1    31  TYR  HN      5.63
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 498, r1= 1.30, r2= 1.80, r3= 6.76, r4= 7.26,
 igr1= 456, 457, 458,
 &end
#
# 28  LEU  QD1    40  ILE  HN      6.77
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 630, r1= 1.30, r2= 1.80, r3= 8.13, r4= 8.63,
 igr1= 456, 457, 458,
 &end
#
# 28  LEU  QQD    29  GLU-  HN      6.14
 &rst
  ixpk= 0, nxpk= 0, iat= 453, 466, r1= 1.30, r2= 1.80, r3= 6.14, r4= 6.64,  &end
#
# 28  LEU  QQD    31  TYR  HN      7.2
 &rst
  ixpk= 0, nxpk= 0, iat= 453, 498, r1= 1.30, r2= 1.80, r3= 7.20, r4= 7.70,  &end
#
# 28  LEU  QQD    32  VAL  HN      6.98
 &rst
  ixpk= 0, nxpk= 0, iat= 453, 519, r1= 1.30, r2= 1.80, r3= 6.98, r4= 7.48,  &end
#
# 28  LEU  QQD    38  ASP-  HN      8.03
 &rst
  ixpk= 0, nxpk= 0, iat= 453, 604, r1= 1.30, r2= 1.80, r3= 8.03, r4= 8.53,  &end
#
# 29  GLU-  HN    29  GLU-  HA      3.08
 &rst
  ixpk= 0, nxpk= 0, iat= 466, 468, r1= 1.30, r2= 1.80, r3= 3.08, r4= 3.58,  &end
#
# 29  GLU-  HN    29  GLU-  HB2      2.8
 &rst
  ixpk= 0, nxpk= 0, iat= 466, 470, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
# 29  GLU-  HN    29  GLU-  HB3      3.11
 &rst
  ixpk= 0, nxpk= 0, iat= 466, 471, r1= 1.30, r2= 1.80, r3= 3.11, r4= 3.61,  &end
#
# 29  GLU-  HN    29  GLU-  QG      4.39
 &rst
  ixpk= 0, nxpk= 0, iat= 466,  -1, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43,
 igr2= 473, 474,
 &end
#
# 29  GLU-  HN    30  GLN  HN      3.22
 &rst
  ixpk= 0, nxpk= 0, iat= 466, 481, r1= 1.30, r2= 1.80, r3= 3.22, r4= 3.72,  &end
#
# 29  GLU-  HN    30  GLN  HN      3.11
 &rst
  ixpk= 0, nxpk= 0, iat= 466, 481, r1= 1.30, r2= 1.80, r3= 3.11, r4= 3.61,  &end
#
# 29  GLU-  HN    50  ILE  QD1      5.38
 &rst
  ixpk= 0, nxpk= 0, iat= 466,  -1, r1= 1.30, r2= 1.80, r3= 6.46, r4= 6.96,
 igr2= 798, 799, 800,
 &end
#
# 29  GLU-  HA    30  GLN  HN      3.57
 &rst
  ixpk= 0, nxpk= 0, iat= 468, 481, r1= 1.30, r2= 1.80, r3= 3.57, r4= 4.07,  &end
#
# 30  GLN  HN    30  GLN  HA      3.06
 &rst
  ixpk= 0, nxpk= 0, iat= 481, 483, r1= 1.30, r2= 1.80, r3= 3.06, r4= 3.56,  &end
#
# 30  GLN  HN    30  GLN  HB2      3.08
 &rst
  ixpk= 0, nxpk= 0, iat= 481, 485, r1= 1.30, r2= 1.80, r3= 3.08, r4= 3.58,  &end
#
# 30  GLN  HN    30  GLN  HB3      2.83
 &rst
  ixpk= 0, nxpk= 0, iat= 481, 486, r1= 1.30, r2= 1.80, r3= 2.83, r4= 3.33,  &end
#
# 30  GLN  HN    30  GLN  QG      4.7
 &rst
  ixpk= 0, nxpk= 0, iat= 481,  -1, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
 igr2= 488, 489,
 &end
#
# 30  GLN  HN    31  TYR  HN      2.95
 &rst
  ixpk= 0, nxpk= 0, iat= 481, 498, r1= 1.30, r2= 1.80, r3= 2.95, r4= 3.45,  &end
#
# 30  GLN  HN    31  TYR  HN      2.99
 &rst
  ixpk= 0, nxpk= 0, iat= 481, 498, r1= 1.30, r2= 1.80, r3= 2.99, r4= 3.49,  &end
#
# 30  GLN  HN    31  TYR  QB      5.16
 &rst
  ixpk= 0, nxpk= 0, iat= 481,  -1, r1= 1.30, r2= 1.80, r3= 5.79, r4= 6.29,
 igr2= 502, 503,
 &end
#
# 30  GLN  HN    32  VAL  HN      4.29
 &rst
  ixpk= 0, nxpk= 0, iat= 481, 519, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79,  &end
#
# 30  GLN  HN    32  VAL  HN      4.19
 &rst
  ixpk= 0, nxpk= 0, iat= 481, 519, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69,  &end
#
# 30  GLN  HN    32  VAL  QQG      6.32
 &rst
  ixpk= 0, nxpk= 0, iat= 481, 522, r1= 1.30, r2= 1.80, r3= 6.32, r4= 6.82,  &end
#
# 30  GLN  HN    33  LYS+  HN      5.9
 &rst
  ixpk= 0, nxpk= 0, iat= 481, 535, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,  &end
#
# 30  GLN  HN    33  LYS+  HN      5.31
 &rst
  ixpk= 0, nxpk= 0, iat= 481, 535, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,  &end
#
# 30  GLN  HN    33  LYS+  QD      5.41
 &rst
  ixpk= 0, nxpk= 0, iat= 481,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2= 545, 546,
 &end
#
# 30  GLN  HA    31  TYR  HN      3.98
 &rst
  ixpk= 0, nxpk= 0, iat= 483, 498, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48,  &end
#
# 30  GLN  HB2    31  TYR  HN      3.64
 &rst
  ixpk= 0, nxpk= 0, iat= 485, 498, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14,  &end
#
# 30  GLN  HB3    31  TYR  HN      3.36
 &rst
  ixpk= 0, nxpk= 0, iat= 486, 498, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,  &end
#
# 30  GLN  QG    31  TYR  HN      5.26
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 498, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,
 igr1= 488, 489,
 &end
#
# 31  TYR  HN    31  TYR  HA      3.09
 &rst
  ixpk= 0, nxpk= 0, iat= 498, 500, r1= 1.30, r2= 1.80, r3= 3.09, r4= 3.59,  &end
#
# 31  TYR  HN    31  TYR  QB      3.71
 &rst
  ixpk= 0, nxpk= 0, iat= 498,  -1, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66,
 igr2= 502, 503,
 &end
#
# 31  TYR  HN    32  VAL  HN      2.99
 &rst
  ixpk= 0, nxpk= 0, iat= 498, 519, r1= 1.30, r2= 1.80, r3= 2.99, r4= 3.49,  &end
#
# 31  TYR  HN    32  VAL  HN      2.95
 &rst
  ixpk= 0, nxpk= 0, iat= 498, 519, r1= 1.30, r2= 1.80, r3= 2.95, r4= 3.45,  &end
#
# 31  TYR  HN    32  VAL  HA      5.22
 &rst
  ixpk= 0, nxpk= 0, iat= 498, 521, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,  &end
#
# 31  TYR  HN    32  VAL  HB      4.47
 &rst
  ixpk= 0, nxpk= 0, iat= 498, 523, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97,  &end
#
# 31  TYR  HN    33  LYS+  HN      4.35
 &rst
  ixpk= 0, nxpk= 0, iat= 498, 535, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85,  &end
#
# 31  TYR  HA    32  VAL  HN      3.48
 &rst
  ixpk= 0, nxpk= 0, iat= 500, 519, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98,  &end
#
# 31  TYR  QB    32  VAL  HN      4.02
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 519, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01,
 igr1= 502, 503,
 &end
#
# 31  TYR  QB    33  LYS+  HN      5.72
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 535, r1= 1.30, r2= 1.80, r3= 6.42, r4= 6.92,
 igr1= 502, 503,
 &end
#
# 31  TYR  QR    37  ASN  HN      8.39
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 590, r1= 1.30, r2= 1.80, r3=10.57, r4=11.07,
 igr1= 506, 515, 508, 513,
 &end
#
# 32  VAL  HN    32  VAL  HA      3.09
 &rst
  ixpk= 0, nxpk= 0, iat= 519, 521, r1= 1.30, r2= 1.80, r3= 3.09, r4= 3.59,  &end
#
# 32  VAL  HN    32  VAL  HB      2.8
 &rst
  ixpk= 0, nxpk= 0, iat= 519, 523, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
# 32  VAL  HN    32  VAL  QQG      5.08
 &rst
  ixpk= 0, nxpk= 0, iat= 519, 522, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,  &end
#
# 32  VAL  HN    33  LYS+  HN      2.99
 &rst
  ixpk= 0, nxpk= 0, iat= 519, 535, r1= 1.30, r2= 1.80, r3= 2.99, r4= 3.49,  &end
#
# 32  VAL  HN    33  LYS+  HN      2.95
 &rst
  ixpk= 0, nxpk= 0, iat= 519, 535, r1= 1.30, r2= 1.80, r3= 2.95, r4= 3.45,  &end
#
# 32  VAL  HN    33  LYS+  QD      6.16
 &rst
  ixpk= 0, nxpk= 0, iat= 519,  -1, r1= 1.30, r2= 1.80, r3= 6.91, r4= 7.41,
 igr2= 545, 546,
 &end
#
# 32  VAL  HA    33  LYS+  HN      4.84
 &rst
  ixpk= 0, nxpk= 0, iat= 521, 535, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,  &end
#
# 32  VAL  HA    34  ASP-  HN      4.47
 &rst
  ixpk= 0, nxpk= 0, iat= 521, 557, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97,  &end
#
# 32  VAL  HA    35  THR  HN      3.33
 &rst
  ixpk= 0, nxpk= 0, iat= 521, 569, r1= 1.30, r2= 1.80, r3= 3.33, r4= 3.83,  &end
#
# 32  VAL  HA    36  GLY  HN      2.92
 &rst
  ixpk= 0, nxpk= 0, iat= 521, 583, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42,  &end
#
# 32  VAL  HA    37  ASN  HN      3.54
 &rst
  ixpk= 0, nxpk= 0, iat= 521, 590, r1= 1.30, r2= 1.80, r3= 3.54, r4= 4.04,  &end
#
# 32  VAL  HA    45  LEU  HN      5.4
 &rst
  ixpk= 0, nxpk= 0, iat= 521, 706, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,  &end
#
# 32  VAL  HA    46  SER  HN      5.53
 &rst
  ixpk= 0, nxpk= 0, iat= 521, 725, r1= 1.30, r2= 1.80, r3= 5.53, r4= 6.03,  &end
#
# 32  VAL  HA    47  ILE  HN      5.9
 &rst
  ixpk= 0, nxpk= 0, iat= 521, 736, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,  &end
#
# 32  VAL  HB    36  GLY  HN      4.69
 &rst
  ixpk= 0, nxpk= 0, iat= 523, 583, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19,  &end
#
# 32  VAL  QQG    33  LYS+  HN      6.63
 &rst
  ixpk= 0, nxpk= 0, iat= 522, 535, r1= 1.30, r2= 1.80, r3= 6.63, r4= 7.13,  &end
#
# 32  VAL  QQG    34  ASP-  HN      8.02
 &rst
  ixpk= 0, nxpk= 0, iat= 522, 557, r1= 1.30, r2= 1.80, r3= 8.02, r4= 8.52,  &end
#
# 32  VAL  QQG    36  GLY  HN      7.99
 &rst
  ixpk= 0, nxpk= 0, iat= 522, 583, r1= 1.30, r2= 1.80, r3= 7.99, r4= 8.49,  &end
#
# 32  VAL  QQG    37  ASN  HN      8.02
 &rst
  ixpk= 0, nxpk= 0, iat= 522, 590, r1= 1.30, r2= 1.80, r3= 8.02, r4= 8.52,  &end
#
# 32  VAL  QQG    45  LEU  HN      6.66
 &rst
  ixpk= 0, nxpk= 0, iat= 522, 706, r1= 1.30, r2= 1.80, r3= 6.66, r4= 7.16,  &end
#
# 32  VAL  QQG    46  SER  HN      6.26
 &rst
  ixpk= 0, nxpk= 0, iat= 522, 725, r1= 1.30, r2= 1.80, r3= 6.26, r4= 6.76,  &end
#
# 33  LYS+  HN    33  LYS+  HA      3.2
 &rst
  ixpk= 0, nxpk= 0, iat= 535, 537, r1= 1.30, r2= 1.80, r3= 3.20, r4= 3.70,  &end
#
# 33  LYS+  HN    33  LYS+  QB      4.05
 &rst
  ixpk= 0, nxpk= 0, iat= 535,  -1, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05,
 igr2= 539, 540,
 &end
#
# 33  LYS+  HN    33  LYS+  QG      4.89
 &rst
  ixpk= 0, nxpk= 0, iat= 535,  -1, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99,
 igr2= 542, 543,
 &end
#
# 33  LYS+  HN    33  LYS+  QD      4.11
 &rst
  ixpk= 0, nxpk= 0, iat= 535,  -1, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,
 igr2= 545, 546,
 &end
#
# 33  LYS+  HN    33  LYS+  QE      6.78
 &rst
  ixpk= 0, nxpk= 0, iat= 535,  -1, r1= 1.30, r2= 1.80, r3= 7.61, r4= 8.11,
 igr2= 548, 549,
 &end
#
# 33  LYS+  HN    34  ASP-  HN      2.86
 &rst
  ixpk= 0, nxpk= 0, iat= 535, 557, r1= 1.30, r2= 1.80, r3= 2.86, r4= 3.36,  &end
#
# 33  LYS+  HN    34  ASP-  HB2      5.34
 &rst
  ixpk= 0, nxpk= 0, iat= 535, 561, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,  &end
#
# 33  LYS+  HN    34  ASP-  HB3      5.9
 &rst
  ixpk= 0, nxpk= 0, iat= 535, 562, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,  &end
#
# 33  LYS+  HN    35  THR  HN      4.75
 &rst
  ixpk= 0, nxpk= 0, iat= 535, 569, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25,  &end
#
# 33  LYS+  HN    36  GLY  HN      4.13
 &rst
  ixpk= 0, nxpk= 0, iat= 535, 583, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63,  &end
#
# 33  LYS+  HN    36  GLY  HA1      4.6
 &rst
  ixpk= 0, nxpk= 0, iat= 535, 585, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,  &end
#
# 33  LYS+  HN    47  ILE  QD1      6.93
 &rst
  ixpk= 0, nxpk= 0, iat= 535,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr2= 749, 750, 751,
 &end
#
# 33  LYS+  QG    34  ASP-  HN      3.99
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 557, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98,
 igr1= 542, 543,
 &end
#
# 34  ASP-  HN    35  THR  HN      3.02
 &rst
  ixpk= 0, nxpk= 0, iat= 557, 569, r1= 1.30, r2= 1.80, r3= 3.02, r4= 3.52,  &end
#
# 34  ASP-  HN    35  THR  HN      2.83
 &rst
  ixpk= 0, nxpk= 0, iat= 557, 569, r1= 1.30, r2= 1.80, r3= 2.83, r4= 3.33,  &end
#
# 34  ASP-  HN    36  GLY  HN      3.57
 &rst
  ixpk= 0, nxpk= 0, iat= 557, 583, r1= 1.30, r2= 1.80, r3= 3.57, r4= 4.07,  &end
#
# 34  ASP-  HN    36  GLY  QA      4.7
 &rst
  ixpk= 0, nxpk= 0, iat= 557,  -1, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
 igr2= 585, 586,
 &end
#
# 34  ASP-  HB2    35  THR  HN      2.95
 &rst
  ixpk= 0, nxpk= 0, iat= 561, 569, r1= 1.30, r2= 1.80, r3= 2.95, r4= 3.45,  &end
#
# 34  ASP-  HB2    36  GLY  HN      4.18
 &rst
  ixpk= 0, nxpk= 0, iat= 561, 583, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68,  &end
#
# 34  ASP-  HB3    35  THR  HN      3.2
 &rst
  ixpk= 0, nxpk= 0, iat= 562, 569, r1= 1.30, r2= 1.80, r3= 3.20, r4= 3.70,  &end
#
# 34  ASP-  HB3    36  GLY  HN      4.2
 &rst
  ixpk= 0, nxpk= 0, iat= 562, 583, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,  &end
#
# 35  THR  HN    35  THR  HA      3.19
 &rst
  ixpk= 0, nxpk= 0, iat= 569, 571, r1= 1.30, r2= 1.80, r3= 3.19, r4= 3.69,  &end
#
# 35  THR  HN    35  THR  QG2      3.86
 &rst
  ixpk= 0, nxpk= 0, iat= 569,  -1, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,
 igr2= 575, 576, 577,
 &end
#
# 35  THR  HN    36  GLY  QA      4.61
 &rst
  ixpk= 0, nxpk= 0, iat= 569,  -1, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67,
 igr2= 585, 586,
 &end
#
# 35  THR  HN    36  GLY  QA      4.3
 &rst
  ixpk= 0, nxpk= 0, iat= 569,  -1, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
 igr2= 585, 586,
 &end
#
# 35  THR  HA    37  ASN  HN      4.19
 &rst
  ixpk= 0, nxpk= 0, iat= 571, 590, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69,  &end
#
# 35  THR  QG2    36  GLY  HN      4.79
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 583, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25,
 igr1= 575, 576, 577,
 &end
#
# 35  THR  QG2    37  ASN  HN      4.73
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 590, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18,
 igr1= 575, 576, 577,
 &end
#
# 36  GLY  HN    36  GLY  HA1      3
 &rst
  ixpk= 0, nxpk= 0, iat= 583, 585, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
# 36  GLY  HN    36  GLY  HA2      3.2
 &rst
  ixpk= 0, nxpk= 0, iat= 583, 586, r1= 1.30, r2= 1.80, r3= 3.20, r4= 3.70,  &end
#
# 36  GLY  HN    37  ASN  HN      3.02
 &rst
  ixpk= 0, nxpk= 0, iat= 583, 590, r1= 1.30, r2= 1.80, r3= 3.02, r4= 3.52,  &end
#
# 36  GLY  HN    45  LEU  HN      5
 &rst
  ixpk= 0, nxpk= 0, iat= 583, 706, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 36  GLY  HA1    37  ASN  HN      3.92
 &rst
  ixpk= 0, nxpk= 0, iat= 585, 590, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42,  &end
#
# 36  GLY  HA1    45  LEU  HN      3.93
 &rst
  ixpk= 0, nxpk= 0, iat= 585, 706, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,  &end
#
# 36  GLY  HA2    37  ASN  HN      3.73
 &rst
  ixpk= 0, nxpk= 0, iat= 586, 590, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23,  &end
#
# 36  GLY  HA2    45  LEU  HN      4.35
 &rst
  ixpk= 0, nxpk= 0, iat= 586, 706, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85,  &end
#
# 37  ASN  HN    37  ASN  HA      3.39
 &rst
  ixpk= 0, nxpk= 0, iat= 590, 592, r1= 1.30, r2= 1.80, r3= 3.39, r4= 3.89,  &end
#
# 37  ASN  HN    38  ASP-  HN      4.76
 &rst
  ixpk= 0, nxpk= 0, iat= 590, 604, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,  &end
#
# 37  ASN  HN    42  ASN  HB2      5.9
 &rst
  ixpk= 0, nxpk= 0, iat= 590, 667, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,  &end
#
# 37  ASN  HN    44  PRO  HA      5.09
 &rst
  ixpk= 0, nxpk= 0, iat= 590, 702, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,  &end
#
# 37  ASN  HN    45  LEU  HN      3.88
 &rst
  ixpk= 0, nxpk= 0, iat= 590, 706, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38,  &end
#
# 37  ASN  HN    45  LEU  HN      4.07
 &rst
  ixpk= 0, nxpk= 0, iat= 590, 706, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57,  &end
#
# 37  ASN  HA    38  ASP-  HN      2.83
 &rst
  ixpk= 0, nxpk= 0, iat= 592, 604, r1= 1.30, r2= 1.80, r3= 2.83, r4= 3.33,  &end
#
# 37  ASN  HA    42  ASN  HN      5.9
 &rst
  ixpk= 0, nxpk= 0, iat= 592, 663, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,  &end
#
# 37  ASN  HA    43  GLU-  HN      4.44
 &rst
  ixpk= 0, nxpk= 0, iat= 592, 677, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,  &end
#
# 37  ASN  HA    45  LEU  HN      2.83
 &rst
  ixpk= 0, nxpk= 0, iat= 592, 706, r1= 1.30, r2= 1.80, r3= 2.83, r4= 3.33,  &end
#
# 37  ASN  HA    46  SER  HN      5.9
 &rst
  ixpk= 0, nxpk= 0, iat= 592, 725, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,  &end
#
# 37  ASN  HB3    38  ASP-  HN      3.71
 &rst
  ixpk= 0, nxpk= 0, iat= 595, 604, r1= 1.30, r2= 1.80, r3= 3.71, r4= 4.21,  &end
#
# 37  ASN  HB3    42  ASN  HN      5.71
 &rst
  ixpk= 0, nxpk= 0, iat= 595, 663, r1= 1.30, r2= 1.80, r3= 5.71, r4= 6.21,  &end
#
# 37  ASN  HB3    43  GLU-  HN      5.9
 &rst
  ixpk= 0, nxpk= 0, iat= 595, 677, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,  &end
#
# 38  ASP-  HN    38  ASP-  HA      3.25
 &rst
  ixpk= 0, nxpk= 0, iat= 604, 606, r1= 1.30, r2= 1.80, r3= 3.25, r4= 3.75,  &end
#
# 38  ASP-  HN    38  ASP-  HB2      2.92
 &rst
  ixpk= 0, nxpk= 0, iat= 604, 608, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42,  &end
#
# 38  ASP-  HN    38  ASP-  HB3      3.59
 &rst
  ixpk= 0, nxpk= 0, iat= 604, 609, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09,  &end
#
# 38  ASP-  HN    40  ILE  HN      5.31
 &rst
  ixpk= 0, nxpk= 0, iat= 604, 630, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,  &end
#
# 38  ASP-  HN    42  ASN  HN      4.07
 &rst
  ixpk= 0, nxpk= 0, iat= 604, 663, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57,  &end
#
# 38  ASP-  HN    43  GLU-  HN      3.54
 &rst
  ixpk= 0, nxpk= 0, iat= 604, 677, r1= 1.30, r2= 1.80, r3= 3.54, r4= 4.04,  &end
#
# 38  ASP-  HN    45  LEU  HN      4.35
 &rst
  ixpk= 0, nxpk= 0, iat= 604, 706, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85,  &end
#
# 38  ASP-  HN    45  LEU  HN      5.9
 &rst
  ixpk= 0, nxpk= 0, iat= 604, 706, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,  &end
#
# 38  ASP-  HB2    40  ILE  HN      4.07
 &rst
  ixpk= 0, nxpk= 0, iat= 608, 630, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57,  &end
#
# 38  ASP-  HB2    41  THR  HN      3.57
 &rst
  ixpk= 0, nxpk= 0, iat= 608, 649, r1= 1.30, r2= 1.80, r3= 3.57, r4= 4.07,  &end
#
# 38  ASP-  HB2    43  GLU-  HN      3.14
 &rst
  ixpk= 0, nxpk= 0, iat= 608, 677, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,  &end
#
# 38  ASP-  HB3    42  ASN  HN      4.1
 &rst
  ixpk= 0, nxpk= 0, iat= 609, 663, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,  &end
#
# 38  ASP-  HB3    43  GLU-  HN      4.32
 &rst
  ixpk= 0, nxpk= 0, iat= 609, 677, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82,  &end
#
# 40  ILE  HN    40  ILE  HA      3.19
 &rst
  ixpk= 0, nxpk= 0, iat= 630, 632, r1= 1.30, r2= 1.80, r3= 3.19, r4= 3.69,  &end
#
# 40  ILE  HN    40  ILE  HB      2.8
 &rst
  ixpk= 0, nxpk= 0, iat= 630, 634, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
# 40  ILE  HN    40  ILE  QG2      6.93
 &rst
  ixpk= 0, nxpk= 0, iat= 630,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr2= 636, 637, 638,
 &end
#
# 40  ILE  HN    40  ILE  QG1      4.08
 &rst
  ixpk= 0, nxpk= 0, iat= 630,  -1, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
 igr2= 640, 641,
 &end
#
# 40  ILE  HN    40  ILE  QD1      3.83
 &rst
  ixpk= 0, nxpk= 0, iat= 630,  -1, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
 igr2= 643, 644, 645,
 &end
#
# 40  ILE  HN    41  THR  HN      2.8
 &rst
  ixpk= 0, nxpk= 0, iat= 630, 649, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
# 40  ILE  HN    41  THR  HN      2.8
 &rst
  ixpk= 0, nxpk= 0, iat= 630, 649, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
# 40  ILE  HN    42  ASN  HN      3.33
 &rst
  ixpk= 0, nxpk= 0, iat= 630, 663, r1= 1.30, r2= 1.80, r3= 3.33, r4= 3.83,  &end
#
# 40  ILE  HN    42  ASN  HN      3.3
 &rst
  ixpk= 0, nxpk= 0, iat= 630, 663, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
# 40  ILE  HN    43  GLU-  HN      4.92
 &rst
  ixpk= 0, nxpk= 0, iat= 630, 677, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,  &end
#
# 40  ILE  HA    41  THR  HN      3.68
 &rst
  ixpk= 0, nxpk= 0, iat= 632, 649, r1= 1.30, r2= 1.80, r3= 3.68, r4= 4.18,  &end
#
# 40  ILE  HA    42  ASN  HN      4.85
 &rst
  ixpk= 0, nxpk= 0, iat= 632, 663, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,  &end
#
# 40  ILE  HB    41  THR  HN      2.89
 &rst
  ixpk= 0, nxpk= 0, iat= 634, 649, r1= 1.30, r2= 1.80, r3= 2.89, r4= 3.39,  &end
#
# 40  ILE  QG2    41  THR  HN      4.63
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 649, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
 igr1= 636, 637, 638,
 &end
#
# 40  ILE  QG1    42  ASN  HN      6.78
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 663, r1= 1.30, r2= 1.80, r3= 7.61, r4= 8.11,
 igr1= 640, 641,
 &end
#
# 41  THR  HN    41  THR  HA      3.36
 &rst
  ixpk= 0, nxpk= 0, iat= 649, 651, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,  &end
#
# 41  THR  HN    41  THR  QG2      3.83
 &rst
  ixpk= 0, nxpk= 0, iat= 649,  -1, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
 igr2= 655, 656, 657,
 &end
#
# 41  THR  HN    41  THR  HG1      5.87
 &rst
  ixpk= 0, nxpk= 0, iat= 649, 659, r1= 1.30, r2= 1.80, r3= 5.87, r4= 6.37,  &end
#
# 41  THR  HN    42  ASN  HN      3.08
 &rst
  ixpk= 0, nxpk= 0, iat= 649, 663, r1= 1.30, r2= 1.80, r3= 3.08, r4= 3.58,  &end
#
# 41  THR  HN    42  ASN  HN      2.86
 &rst
  ixpk= 0, nxpk= 0, iat= 649, 663, r1= 1.30, r2= 1.80, r3= 2.86, r4= 3.36,  &end
#
# 41  THR  HN    43  GLU-  HN      3.85
 &rst
  ixpk= 0, nxpk= 0, iat= 649, 677, r1= 1.30, r2= 1.80, r3= 3.85, r4= 4.35,  &end
#
# 41  THR  HN    43  GLU-  HN      4.26
 &rst
  ixpk= 0, nxpk= 0, iat= 649, 677, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76,  &end
#
# 41  THR  QG2    42  ASN  HN      4.73
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 663, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18,
 igr1= 655, 656, 657,
 &end
#
# 41  THR  QG2    43  GLU-  HN      4.97
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 677, r1= 1.30, r2= 1.80, r3= 5.97, r4= 6.47,
 igr1= 655, 656, 657,
 &end
#
# 41  THR  HG1    42  ASN  HN      5.9
 &rst
  ixpk= 0, nxpk= 0, iat= 659, 663, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,  &end
#
# 41  THR  HG1    43  GLU-  HN      4.04
 &rst
  ixpk= 0, nxpk= 0, iat= 659, 677, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,  &end
#
# 42  ASN  HN    42  ASN  HA      2.8
 &rst
  ixpk= 0, nxpk= 0, iat= 663, 665, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
# 42  ASN  HN    42  ASN  HB2      3.67
 &rst
  ixpk= 0, nxpk= 0, iat= 663, 667, r1= 1.30, r2= 1.80, r3= 3.67, r4= 4.17,  &end
#
# 42  ASN  HN    42  ASN  HB3      3.51
 &rst
  ixpk= 0, nxpk= 0, iat= 663, 668, r1= 1.30, r2= 1.80, r3= 3.51, r4= 4.01,  &end
#
# 42  ASN  HN    43  GLU-  HN      3.05
 &rst
  ixpk= 0, nxpk= 0, iat= 663, 677, r1= 1.30, r2= 1.80, r3= 3.05, r4= 3.55,  &end
#
# 42  ASN  HN    43  GLU-  HN      3.05
 &rst
  ixpk= 0, nxpk= 0, iat= 663, 677, r1= 1.30, r2= 1.80, r3= 3.05, r4= 3.55,  &end
#
# 42  ASN  HN    43  GLU-  QB      5.82
 &rst
  ixpk= 0, nxpk= 0, iat= 663,  -1, r1= 1.30, r2= 1.80, r3= 6.53, r4= 7.03,
 igr2= 681, 682,
 &end
#
# 42  ASN  HA    43  GLU-  HN      3.73
 &rst
  ixpk= 0, nxpk= 0, iat= 665, 677, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23,  &end
#
# 42  ASN  HB2    43  GLU-  HN      5.9
 &rst
  ixpk= 0, nxpk= 0, iat= 667, 677, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,  &end
#
# 43  GLU-  HN    43  GLU-  HA      3.12
 &rst
  ixpk= 0, nxpk= 0, iat= 677, 679, r1= 1.30, r2= 1.80, r3= 3.12, r4= 3.62,  &end
#
# 43  GLU-  HN    43  GLU-  QB      4.45
 &rst
  ixpk= 0, nxpk= 0, iat= 677,  -1, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49,
 igr2= 681, 682,
 &end
#
# 43  GLU-  HN    43  GLU-  HG2      3
 &rst
  ixpk= 0, nxpk= 0, iat= 677, 684, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
# 43  GLU-  HN    43  GLU-  HG3      3.02
 &rst
  ixpk= 0, nxpk= 0, iat= 677, 685, r1= 1.30, r2= 1.80, r3= 3.02, r4= 3.52,  &end
#
# 45  LEU  HN    45  LEU  HA      2.99
 &rst
  ixpk= 0, nxpk= 0, iat= 706, 708, r1= 1.30, r2= 1.80, r3= 2.99, r4= 3.49,  &end
#
# 45  LEU  HN    45  LEU  QB      4.14
 &rst
  ixpk= 0, nxpk= 0, iat= 706,  -1, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,
 igr2= 710, 711,
 &end
#
# 45  LEU  HN    45  LEU  HG      4.1
 &rst
  ixpk= 0, nxpk= 0, iat= 706, 713, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,  &end
#
# 45  LEU  HN    45  LEU  QQD      6.3
 &rst
  ixpk= 0, nxpk= 0, iat= 706, 712, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,  &end
#
# 45  LEU  HA    46  SER  HN      2.8
 &rst
  ixpk= 0, nxpk= 0, iat= 708, 725, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
# 45  LEU  HA    47  ILE  HN      4.41
 &rst
  ixpk= 0, nxpk= 0, iat= 708, 736, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,  &end
#
# 45  LEU  HG    46  SER  HN      5.9
 &rst
  ixpk= 0, nxpk= 0, iat= 713, 725, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,  &end
#
# 46  SER  HN    46  SER  HA      3.11
 &rst
  ixpk= 0, nxpk= 0, iat= 725, 727, r1= 1.30, r2= 1.80, r3= 3.11, r4= 3.61,  &end
#
# 46  SER  HN    46  SER  HB2      3.36
 &rst
  ixpk= 0, nxpk= 0, iat= 725, 729, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,  &end
#
# 46  SER  HN    46  SER  HB3      3.23
 &rst
  ixpk= 0, nxpk= 0, iat= 725, 730, r1= 1.30, r2= 1.80, r3= 3.23, r4= 3.73,  &end
#
# 46  SER  HN    47  ILE  HN      4.01
 &rst
  ixpk= 0, nxpk= 0, iat= 725, 736, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51,  &end
#
# 46  SER  HN    47  ILE  HN      4.01
 &rst
  ixpk= 0, nxpk= 0, iat= 725, 736, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51,  &end
#
# 46  SER  HN    47  ILE  HB      4.47
 &rst
  ixpk= 0, nxpk= 0, iat= 725, 740, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97,  &end
#
# 46  SER  HN    47  ILE  QG2      5.01
 &rst
  ixpk= 0, nxpk= 0, iat= 725,  -1, r1= 1.30, r2= 1.80, r3= 6.02, r4= 6.52,
 igr2= 742, 743, 744,
 &end
#
# 46  SER  HN    47  ILE  QG1      6.78
 &rst
  ixpk= 0, nxpk= 0, iat= 725,  -1, r1= 1.30, r2= 1.80, r3= 7.61, r4= 8.11,
 igr2= 746, 747,
 &end
#
# 46  SER  HN    49  GLU-  HN      4.36
 &rst
  ixpk= 0, nxpk= 0, iat= 725, 770, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86,  &end
#
# 46  SER  HN    49  GLU-  HN      4.39
 &rst
  ixpk= 0, nxpk= 0, iat= 725, 770, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89,  &end
#
# 46  SER  HN    49  GLU-  QB      4.98
 &rst
  ixpk= 0, nxpk= 0, iat= 725,  -1, r1= 1.30, r2= 1.80, r3= 5.59, r4= 6.09,
 igr2= 774, 775,
 &end
#
# 46  SER  HA    47  ILE  HN      4.13
 &rst
  ixpk= 0, nxpk= 0, iat= 727, 736, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63,  &end
#
# 46  SER  HA    48  GLU-  HN      4.38
 &rst
  ixpk= 0, nxpk= 0, iat= 727, 755, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,  &end
#
# 46  SER  HB2    47  ILE  HN      3.35
 &rst
  ixpk= 0, nxpk= 0, iat= 729, 736, r1= 1.30, r2= 1.80, r3= 3.35, r4= 3.85,  &end
#
# 47  ILE  HN    47  ILE  HA      2.8
 &rst
  ixpk= 0, nxpk= 0, iat= 736, 738, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
# 47  ILE  HN    47  ILE  HB      2.8
 &rst
  ixpk= 0, nxpk= 0, iat= 736, 740, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
# 47  ILE  HN    47  ILE  QG2      3.98
 &rst
  ixpk= 0, nxpk= 0, iat= 736,  -1, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28,
 igr2= 742, 743, 744,
 &end
#
# 47  ILE  HN    47  ILE  QG1      4.76
 &rst
  ixpk= 0, nxpk= 0, iat= 736,  -1, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
 igr2= 746, 747,
 &end
#
# 47  ILE  HN    47  ILE  QD1      3.83
 &rst
  ixpk= 0, nxpk= 0, iat= 736,  -1, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
 igr2= 749, 750, 751,
 &end
#
# 47  ILE  HN    49  GLU-  HN      4.19
 &rst
  ixpk= 0, nxpk= 0, iat= 736, 770, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69,  &end
#
# 47  ILE  HN    49  GLU-  QB      6.78
 &rst
  ixpk= 0, nxpk= 0, iat= 736,  -1, r1= 1.30, r2= 1.80, r3= 7.61, r4= 8.11,
 igr2= 774, 775,
 &end
#
# 47  ILE  HN    50  ILE  HB      4.47
 &rst
  ixpk= 0, nxpk= 0, iat= 736, 789, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97,  &end
#
# 47  ILE  HA    48  GLU-  HN      3.43
 &rst
  ixpk= 0, nxpk= 0, iat= 738, 755, r1= 1.30, r2= 1.80, r3= 3.43, r4= 3.93,  &end
#
# 47  ILE  HA    49  GLU-  HN      3.17
 &rst
  ixpk= 0, nxpk= 0, iat= 738, 770, r1= 1.30, r2= 1.80, r3= 3.17, r4= 3.67,  &end
#
# 47  ILE  QG2    48  GLU-  HN      5.07
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 755, r1= 1.30, r2= 1.80, r3= 6.09, r4= 6.59,
 igr1= 742, 743, 744,
 &end
#
# 47  ILE  QG1    48  GLU-  HN      5.66
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 755, r1= 1.30, r2= 1.80, r3= 6.35, r4= 6.85,
 igr1= 746, 747,
 &end
#
# 47  ILE  QG1    49  GLU-  HN      6.78
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 770, r1= 1.30, r2= 1.80, r3= 7.61, r4= 8.11,
 igr1= 746, 747,
 &end
#
# 48  GLU-  HN    48  GLU-  HA      2.86
 &rst
  ixpk= 0, nxpk= 0, iat= 755, 757, r1= 1.30, r2= 1.80, r3= 2.86, r4= 3.36,  &end
#
# 48  GLU-  HN    48  GLU-  HB2      2.89
 &rst
  ixpk= 0, nxpk= 0, iat= 755, 759, r1= 1.30, r2= 1.80, r3= 2.89, r4= 3.39,  &end
#
# 48  GLU-  HN    48  GLU-  HG2      2.89
 &rst
  ixpk= 0, nxpk= 0, iat= 755, 762, r1= 1.30, r2= 1.80, r3= 2.89, r4= 3.39,  &end
#
# 48  GLU-  HN    49  GLU-  HN      2.89
 &rst
  ixpk= 0, nxpk= 0, iat= 755, 770, r1= 1.30, r2= 1.80, r3= 2.89, r4= 3.39,  &end
#
# 48  GLU-  HN    49  GLU-  HN      3.02
 &rst
  ixpk= 0, nxpk= 0, iat= 755, 770, r1= 1.30, r2= 1.80, r3= 3.02, r4= 3.52,  &end
#
# 48  GLU-  HN    50  ILE  HN      3.96
 &rst
  ixpk= 0, nxpk= 0, iat= 755, 785, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,  &end
#
# 49  GLU-  HN    49  GLU-  HA      3.03
 &rst
  ixpk= 0, nxpk= 0, iat= 770, 772, r1= 1.30, r2= 1.80, r3= 3.03, r4= 3.53,  &end
#
# 49  GLU-  HN    49  GLU-  QB      3.83
 &rst
  ixpk= 0, nxpk= 0, iat= 770,  -1, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,
 igr2= 774, 775,
 &end
#
# 49  GLU-  HN    50  ILE  HN      2.8
 &rst
  ixpk= 0, nxpk= 0, iat= 770, 785, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
# 49  GLU-  HN    50  ILE  HN      2.8
 &rst
  ixpk= 0, nxpk= 0, iat= 770, 785, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
# 49  GLU-  HN    50  ILE  QG2      4.11
 &rst
  ixpk= 0, nxpk= 0, iat= 770,  -1, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
 igr2= 791, 792, 793,
 &end
#
# 49  GLU-  HA    50  ILE  HN      3.08
 &rst
  ixpk= 0, nxpk= 0, iat= 772, 785, r1= 1.30, r2= 1.80, r3= 3.08, r4= 3.58,  &end
#
# 49  GLU-  QB    50  ILE  HN      4.67
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 785, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,
 igr1= 774, 775,
 &end
#
# 50  ILE  HN    50  ILE  HA      2.86
 &rst
  ixpk= 0, nxpk= 0, iat= 785, 787, r1= 1.30, r2= 1.80, r3= 2.86, r4= 3.36,  &end
#
# 50  ILE  HN    50  ILE  HB      2.8
 &rst
  ixpk= 0, nxpk= 0, iat= 785, 789, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
# 50  ILE  HN    50  ILE  QG2      4.14
 &rst
  ixpk= 0, nxpk= 0, iat= 785,  -1, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47,
 igr2= 791, 792, 793,
 &end
#
# 50  ILE  HN    50  ILE  QG1      6.78
 &rst
  ixpk= 0, nxpk= 0, iat= 785,  -1, r1= 1.30, r2= 1.80, r3= 7.61, r4= 8.11,
 igr2= 795, 796,
 &end
#
# 50  ILE  HN    50  ILE  QD1      5.1
 &rst
  ixpk= 0, nxpk= 0, iat= 785,  -1, r1= 1.30, r2= 1.80, r3= 6.12, r4= 6.62,
 igr2= 798, 799, 800,
 &end
#
# 50  ILE  HN    51  VAL  HN      4.38
 &rst
  ixpk= 0, nxpk= 0, iat= 785, 804, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,  &end
#
# 50  ILE  HA    51  VAL  HN      2.8
 &rst
  ixpk= 0, nxpk= 0, iat= 787, 804, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
# 51  VAL  HN    51  VAL  HA      3.23
 &rst
  ixpk= 0, nxpk= 0, iat= 804, 806, r1= 1.30, r2= 1.80, r3= 3.23, r4= 3.73,  &end
#
# 51  VAL  HN    51  VAL  HB      2.8
 &rst
  ixpk= 0, nxpk= 0, iat= 804, 808, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
# 51  VAL  HN    51  VAL  QG1      4.02
 &rst
  ixpk= 0, nxpk= 0, iat= 804,  -1, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
 igr2= 810, 811, 812,
 &end
#
# 51  VAL  HN    51  VAL  QG2      3.93
 &rst
  ixpk= 0, nxpk= 0, iat= 804,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2= 814, 815, 816,
 &end
#
# 51  VAL  HN    52  GLU-  HN      4.23
 &rst
  ixpk= 0, nxpk= 0, iat= 804, 820, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73,  &end
#
# 51  VAL  QG1    52  GLU-  HN      5.47
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 820, r1= 1.30, r2= 1.80, r3= 6.57, r4= 7.07,
 igr1= 810, 811, 812,
 &end
#
# 51  VAL  QG2    52  GLU-  HN      4.6
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 820, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02,
 igr1= 814, 815, 816,
 &end
#
# 52  GLU-  HN    52  GLU-  QB      4.08
 &rst
  ixpk= 0, nxpk= 0, iat= 820,  -1, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
 igr2= 824, 825,
 &end
#
# 52  GLU-  HN    52  GLU-  QG      6.71
 &rst
  ixpk= 0, nxpk= 0, iat= 820,  -1, r1= 1.30, r2= 1.80, r3= 7.53, r4= 8.03,
 igr2= 827, 828,
 &end
#
# 52  GLU-  HA    53  ILE  HN      3.64
 &rst
  ixpk= 0, nxpk= 0, iat= 822, 835, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14,  &end
#
# 53  ILE  HN    53  ILE  HA      4.63
 &rst
  ixpk= 0, nxpk= 0, iat= 835, 837, r1= 1.30, r2= 1.80, r3= 4.63, r4= 5.13,  &end
#
# 53  ILE  HN    53  ILE  HB      3.54
 &rst
  ixpk= 0, nxpk= 0, iat= 835, 839, r1= 1.30, r2= 1.80, r3= 3.54, r4= 4.04,  &end
#
# 1  MET  QE    22  ILE  QG2      6.34
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.14, r4= 9.64,
 igr1=  13,  14,  15,
 igr2= 347, 348, 349,
 &end
#
# 1  MET  QE    22  ILE  QD1      7.96
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=11.48, r4=11.98,
 igr1=  13,  14,  15,
 igr2= 354, 355, 356,
 &end
#
# 2  LEU  HA    22  ILE  HB      5.9
 &rst
  ixpk= 0, nxpk= 0, iat=  21, 345, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,  &end
#
# 2  LEU  QB    3  CYS  HA      5.78
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  40, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
 igr1=  23,  24,
 &end
#
# 3  CYS  HA    5  ILE  QD1      5.75
 &rst
  ixpk= 0, nxpk= 0, iat=  40,  -1, r1= 1.30, r2= 1.80, r3= 6.91, r4= 7.41,
 igr2=  72,  73,  74,
 &end
#
# 3  CYS  HA    23  PHE  HA      3.08
 &rst
  ixpk= 0, nxpk= 0, iat=  40, 362, r1= 1.30, r2= 1.80, r3= 3.08, r4= 3.58,  &end
#
# 3  CYS  HA    23  PHE  HD1      5.9
 &rst
  ixpk= 0, nxpk= 0, iat=  40, 368, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,  &end
#
# 3  CYS  HA    23  PHE  HD2      5.9
 &rst
  ixpk= 0, nxpk= 0, iat=  40, 376, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,  &end
#
# 3  CYS  HB2    5  ILE  HB      5.9
 &rst
  ixpk= 0, nxpk= 0, iat=  42,  63, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,  &end
#
# 3  CYS  HB2    5  ILE  QD1      6.93
 &rst
  ixpk= 0, nxpk= 0, iat=  42,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr2=  72,  73,  74,
 &end
#
# 3  CYS  HB2    23  PHE  HA      5.7
 &rst
  ixpk= 0, nxpk= 0, iat=  42, 362, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,  &end
#
# 3  CYS  HB2    24  GLU-  HA      5.9
 &rst
  ixpk= 0, nxpk= 0, iat=  42, 382, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,  &end
#
# 3  CYS  HB3    5  ILE  HB      5.9
 &rst
  ixpk= 0, nxpk= 0, iat=  43,  63, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,  &end
#
# 3  CYS  HB3    5  ILE  QD1      6.93
 &rst
  ixpk= 0, nxpk= 0, iat=  43,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr2=  72,  73,  74,
 &end
#
# 3  CYS  HB3    23  PHE  HA      5.5
 &rst
  ixpk= 0, nxpk= 0, iat=  43, 362, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 3  CYS  HB3    24  GLU-  HA      5.9
 &rst
  ixpk= 0, nxpk= 0, iat=  43, 382, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,  &end
#
# 3  CYS  QB    23  PHE  HA      5.27
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 362, r1= 1.30, r2= 1.80, r3= 5.92, r4= 6.42,
 igr1=  42,  43,
 &end
#
# 3  CYS  QB    24  GLU-  QB      7.65
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.64, r4=10.14,
 igr1=  42,  43,
 igr2= 384, 385,
 &end
#
# 4  ALA  HA    21  THR  HB      5.34
 &rst
  ixpk= 0, nxpk= 0, iat=  51, 331, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,  &end
#
# 4  ALA  HA    21  THR  QG2      5.1
 &rst
  ixpk= 0, nxpk= 0, iat=  51,  -1, r1= 1.30, r2= 1.80, r3= 6.12, r4= 6.62,
 igr2= 333, 334, 335,
 &end
#
# 4  ALA  HA    23  PHE  HE1      5.9
 &rst
  ixpk= 0, nxpk= 0, iat=  51, 370, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,  &end
#
# 4  ALA  QB    21  THR  HA      6.93
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 329, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1=  53,  54,  55,
 &end
#
# 4  ALA  QB    21  THR  HB      4.54
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 331, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95,
 igr1=  53,  54,  55,
 &end
#
# 4  ALA  QB    21  THR  QG2      5.38
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.76, r4= 8.26,
 igr1=  53,  54,  55,
 igr2= 333, 334, 335,
 &end
#
# 4  ALA  QB    23  PHE  HE1      6.37
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 370, r1= 1.30, r2= 1.80, r3= 7.65, r4= 8.15,
 igr1=  53,  54,  55,
 &end
#
# 4  ALA  QB    23  PHE  HZ      6.06
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 372, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
 igr1=  53,  54,  55,
 &end
#
# 5  ILE  HA    5  ILE  HB      3.2
 &rst
  ixpk= 0, nxpk= 0, iat=  61,  63, r1= 1.30, r2= 1.80, r3= 3.20, r4= 3.70,  &end
#
# 5  ILE  HA    5  ILE  QD1      5.13
 &rst
  ixpk= 0, nxpk= 0, iat=  61,  -1, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66,
 igr2=  72,  73,  74,
 &end
#
# 5  ILE  HA    23  PHE  HD1      5.9
 &rst
  ixpk= 0, nxpk= 0, iat=  61, 368, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,  &end
#
# 5  ILE  HB    6  SER  HA      5.65
 &rst
  ixpk= 0, nxpk= 0, iat=  63,  80, r1= 1.30, r2= 1.80, r3= 5.65, r4= 6.15,  &end
#
# 5  ILE  HB    23  PHE  HD1      5.87
 &rst
  ixpk= 0, nxpk= 0, iat=  63, 368, r1= 1.30, r2= 1.80, r3= 5.87, r4= 6.37,  &end
#
# 5  ILE  HB    23  PHE  HD2      5.9
 &rst
  ixpk= 0, nxpk= 0, iat=  63, 376, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,  &end
#
# 5  ILE  HB    31  TYR  QB      6.78
 &rst
  ixpk= 0, nxpk= 0, iat=  63,  -1, r1= 1.30, r2= 1.80, r3= 7.61, r4= 8.11,
 igr2= 502, 503,
 &end
#
# 5  ILE  QG2    6  SER  HA      3.83
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  80, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
 igr1=  65,  66,  67,
 &end
#
# 5  ILE  QG2    6  SER  QB      7.59
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.23, r4=10.73,
 igr1=  65,  66,  67,
 igr2=  82,  83,
 &end
#
# 5  ILE  QG1    6  SER  HA      6.22
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  80, r1= 1.30, r2= 1.80, r3= 6.98, r4= 7.48,
 igr1=  69,  70,
 &end
#
# 5  ILE  QG1    6  SER  QB      6.66
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.39, r4= 8.89,
 igr1=  69,  70,
 igr2=  82,  83,
 &end
#
# 5  ILE  QG1    23  PHE  HD1      6.31
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 368, r1= 1.30, r2= 1.80, r3= 7.08, r4= 7.58,
 igr1=  69,  70,
 &end
#
# 5  ILE  QD1    23  PHE  QB      6.01
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.10, r4= 8.60,
 igr1=  72,  73,  74,
 igr2= 364, 365,
 &end
#
# 5  ILE  QD1    23  PHE  HD1      5.13
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 368, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66,
 igr1=  72,  73,  74,
 &end
#
# 5  ILE  QD1    23  PHE  HD2      5.7
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 376, r1= 1.30, r2= 1.80, r3= 6.85, r4= 7.35,
 igr1=  72,  73,  74,
 &end
#
# 5  ILE  QD1    27  LEU  HA      6.65
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 430, r1= 1.30, r2= 1.80, r3= 7.99, r4= 8.49,
 igr1=  72,  73,  74,
 &end
#
# 5  ILE  QD1    28  LEU  HA      5.19
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 449, r1= 1.30, r2= 1.80, r3= 6.23, r4= 6.73,
 igr1=  72,  73,  74,
 &end
#
# 6  SER  HA    7  GLY  QA      4.48
 &rst
  ixpk= 0, nxpk= 0, iat=  80,  -1, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,
 igr2=  91,  92,
 &end
#
# 6  SER  HA    8  LYS+  QD      6.78
 &rst
  ixpk= 0, nxpk= 0, iat=  80,  -1, r1= 1.30, r2= 1.80, r3= 7.61, r4= 8.11,
 igr2= 106, 107,
 &end
#
# 6  SER  QB    8  LYS+  QB      7.65
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.64, r4=10.14,
 igr1=  82,  83,
 igr2= 100, 101,
 &end
#
# 6  SER  QB    8  LYS+  QD      7.65
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.64, r4=10.14,
 igr1=  82,  83,
 igr2= 106, 107,
 &end
#
# 7  GLY  HA1    8  LYS+  QD      6.78
 &rst
  ixpk= 0, nxpk= 0, iat=  91,  -1, r1= 1.30, r2= 1.80, r3= 7.61, r4= 8.11,
 igr2= 106, 107,
 &end
#
# 7  GLY  HA1    23  PHE  HB2      7.65
 &rst
  ixpk= 0, nxpk= 0, iat=  91, 364, r1= 1.30, r2= 1.80, r3= 7.65, r4= 8.15,  &end
#
# 7  GLY  HA1    23  PHE  HB3      7.65
 &rst
  ixpk= 0, nxpk= 0, iat=  91, 365, r1= 1.30, r2= 1.80, r3= 7.65, r4= 8.15,  &end
#
# 7  GLY  HA1    27  LEU  QQD      8.03
 &rst
  ixpk= 0, nxpk= 0, iat=  91, 434, r1= 1.30, r2= 1.80, r3= 8.03, r4= 8.53,  &end
#
# 7  GLY  HA2    8  LYS+  QD      6.78
 &rst
  ixpk= 0, nxpk= 0, iat=  92,  -1, r1= 1.30, r2= 1.80, r3= 7.61, r4= 8.11,
 igr2= 106, 107,
 &end
#
# 7  GLY  HA2    23  PHE  HB3      7.65
 &rst
  ixpk= 0, nxpk= 0, iat=  92, 365, r1= 1.30, r2= 1.80, r3= 7.65, r4= 8.15,  &end
#
# 7  GLY  HA2    27  LEU  QQD      8.03
 &rst
  ixpk= 0, nxpk= 0, iat=  92, 434, r1= 1.30, r2= 1.80, r3= 8.03, r4= 8.53,  &end
#
# 7  GLY  QA    23  PHE  QB      6.72
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.47, r4= 8.97,
 igr1=  91,  92,
 igr2= 364, 365,
 &end
#
# 8  LYS+  HA    8  LYS+  HB2      3.42
 &rst
  ixpk= 0, nxpk= 0, iat=  98, 100, r1= 1.30, r2= 1.80, r3= 3.42, r4= 3.92,  &end
#
# 8  LYS+  HA    8  LYS+  HB3      3.42
 &rst
  ixpk= 0, nxpk= 0, iat=  98, 101, r1= 1.30, r2= 1.80, r3= 3.42, r4= 3.92,  &end
#
# 8  LYS+  HA    8  LYS+  QD      5.26
 &rst
  ixpk= 0, nxpk= 0, iat=  98,  -1, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,
 igr2= 106, 107,
 &end
#
# 8  LYS+  HA    8  LYS+  QE      6.78
 &rst
  ixpk= 0, nxpk= 0, iat=  98,  -1, r1= 1.30, r2= 1.80, r3= 7.61, r4= 8.11,
 igr2= 109, 110,
 &end
#
# 8  LYS+  HB2    8  LYS+  QE      6.78
 &rst
  ixpk= 0, nxpk= 0, iat= 100,  -1, r1= 1.30, r2= 1.80, r3= 7.61, r4= 8.11,
 igr2= 109, 110,
 &end
#
# 8  LYS+  HB3    8  LYS+  QE      6.78
 &rst
  ixpk= 0, nxpk= 0, iat= 101,  -1, r1= 1.30, r2= 1.80, r3= 7.61, r4= 8.11,
 igr2= 109, 110,
 &end
#
# 9  VAL  QQG    10  PRO  QD      7.63
 &rst
  ixpk= 0, nxpk= 0, iat= 121,  -1, r1= 1.30, r2= 1.80, r3= 8.56, r4= 9.06,
 igr2= 135, 136,
 &end
#
# 10  PRO  HA    24  GLU-  QB      6.78
 &rst
  ixpk= 0, nxpk= 0, iat= 144,  -1, r1= 1.30, r2= 1.80, r3= 7.61, r4= 8.11,
 igr2= 384, 385,
 &end
#
# 11  ARG+  HA    11  ARG+  QD      5.72
 &rst
  ixpk= 0, nxpk= 0, iat= 150,  -1, r1= 1.30, r2= 1.80, r3= 6.42, r4= 6.92,
 igr2= 158, 159,
 &end
#
# 12  ARG+  HA    12  ARG+  QD      6.28
 &rst
  ixpk= 0, nxpk= 0, iat= 174,  -1, r1= 1.30, r2= 1.80, r3= 7.05, r4= 7.55,
 igr2= 182, 183,
 &end
#
# 12  ARG+  HA    13  PRO  HD2      3.64
 &rst
  ixpk= 0, nxpk= 0, iat= 174, 197, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14,  &end
#
# 12  ARG+  HA    13  PRO  HD3      3.64
 &rst
  ixpk= 0, nxpk= 0, iat= 174, 198, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14,  &end
#
# 12  ARG+  HA    13  PRO  QD      3.25
 &rst
  ixpk= 0, nxpk= 0, iat= 174,  -1, r1= 1.30, r2= 1.80, r3= 3.65, r4= 4.15,
 igr2= 197, 198,
 &end
#
# 12  ARG+  HA    14  VAL  QQG      8.02
 &rst
  ixpk= 0, nxpk= 0, iat= 174, 213, r1= 1.30, r2= 1.80, r3= 8.02, r4= 8.52,  &end
#
# 13  PRO  HA    14  VAL  QQG      8.02
 &rst
  ixpk= 0, nxpk= 0, iat= 206, 213, r1= 1.30, r2= 1.80, r3= 8.02, r4= 8.52,  &end
#
# 14  VAL  HA    14  VAL  HB      3.08
 &rst
  ixpk= 0, nxpk= 0, iat= 212, 214, r1= 1.30, r2= 1.80, r3= 3.08, r4= 3.58,  &end
#
# 14  VAL  HA    15  LEU  QQD      7.57
 &rst
  ixpk= 0, nxpk= 0, iat= 212, 232, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,  &end
#
# 14  VAL  HA    52  GLU-  HA      3.27
 &rst
  ixpk= 0, nxpk= 0, iat= 212, 822, r1= 1.30, r2= 1.80, r3= 3.27, r4= 3.77,  &end
#
# 14  VAL  HB    28  LEU  QQD      8.5
 &rst
  ixpk= 0, nxpk= 0, iat= 214, 453, r1= 1.30, r2= 1.80, r3= 8.50, r4= 9.00,  &end
#
# 14  VAL  HB    52  GLU-  HA      4.63
 &rst
  ixpk= 0, nxpk= 0, iat= 214, 822, r1= 1.30, r2= 1.80, r3= 4.63, r4= 5.13,  &end
#
# 14  VAL  QG1    28  LEU  QD1      11.08
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=15.98, r4=16.48,
 igr1= 216, 217, 218,
 igr2= 456, 457, 458,
 &end
#
# 14  VAL  QG1    28  LEU  QD2      11.08
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=15.98, r4=16.48,
 igr1= 216, 217, 218,
 igr2= 460, 461, 462,
 &end
#
# 14  VAL  QG2    28  LEU  QD1      11.08
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=15.98, r4=16.48,
 igr1= 220, 221, 222,
 igr2= 456, 457, 458,
 &end
#
# 14  VAL  QG2    28  LEU  QD2      11.08
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=15.98, r4=16.48,
 igr1= 220, 221, 222,
 igr2= 460, 461, 462,
 &end
#
# 14  VAL  QQG    23  PHE  QB      8.19
 &rst
  ixpk= 0, nxpk= 0, iat= 213,  -1, r1= 1.30, r2= 1.80, r3= 9.19, r4= 9.69,
 igr2= 364, 365,
 &end
#
# 14  VAL  QQG    23  PHE  HD1      8.49
 &rst
  ixpk= 0, nxpk= 0, iat= 213, 368, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,  &end
#
# 14  VAL  QQG    23  PHE  HD2      8.49
 &rst
  ixpk= 0, nxpk= 0, iat= 213, 376, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,  &end
#
# 14  VAL  QQG    25  LYS+  HA      5.33
 &rst
  ixpk= 0, nxpk= 0, iat= 213, 397, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83,  &end
#
# 14  VAL  QQG    28  LEU  QQD      8.66
 &rst
  ixpk= 0, nxpk= 0, iat= 213, 453, r1= 1.30, r2= 1.80, r3= 8.66, r4= 9.16,  &end
#
# 15  LEU  HA    15  LEU  HG      3.95
 &rst
  ixpk= 0, nxpk= 0, iat= 228, 233, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45,  &end
#
# 15  LEU  HA    22  ILE  HA      3.23
 &rst
  ixpk= 0, nxpk= 0, iat= 228, 343, r1= 1.30, r2= 1.80, r3= 3.23, r4= 3.73,  &end
#
# 15  LEU  HA    22  ILE  HB      5.9
 &rst
  ixpk= 0, nxpk= 0, iat= 228, 345, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,  &end
#
# 15  LEU  HA    23  PHE  HD1      5.9
 &rst
  ixpk= 0, nxpk= 0, iat= 228, 368, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,  &end
#
# 15  LEU  HA    23  PHE  HD2      5.9
 &rst
  ixpk= 0, nxpk= 0, iat= 228, 376, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,  &end
#
# 15  LEU  HA    51  VAL  HB      5.9
 &rst
  ixpk= 0, nxpk= 0, iat= 228, 808, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,  &end
#
# 15  LEU  HA    51  VAL  QQG      7.62
 &rst
  ixpk= 0, nxpk= 0, iat= 228, 807, r1= 1.30, r2= 1.80, r3= 7.62, r4= 8.12,  &end
#
# 15  LEU  HB2    22  ILE  HA      5.9
 &rst
  ixpk= 0, nxpk= 0, iat= 230, 343, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,  &end
#
# 15  LEU  HB2    51  VAL  QG1      7.72
 &rst
  ixpk= 0, nxpk= 0, iat= 230,  -1, r1= 1.30, r2= 1.80, r3= 9.27, r4= 9.77,
 igr2= 810, 811, 812,
 &end
#
# 15  LEU  HB2    51  VAL  QG2      7.72
 &rst
  ixpk= 0, nxpk= 0, iat= 230,  -1, r1= 1.30, r2= 1.80, r3= 9.27, r4= 9.77,
 igr2= 814, 815, 816,
 &end
#
# 15  LEU  HB3    22  ILE  HA      5.9
 &rst
  ixpk= 0, nxpk= 0, iat= 231, 343, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,  &end
#
# 15  LEU  HB3    51  VAL  QG1      7.72
 &rst
  ixpk= 0, nxpk= 0, iat= 231,  -1, r1= 1.30, r2= 1.80, r3= 9.27, r4= 9.77,
 igr2= 810, 811, 812,
 &end
#
# 15  LEU  HB3    51  VAL  QG2      7.72
 &rst
  ixpk= 0, nxpk= 0, iat= 231,  -1, r1= 1.30, r2= 1.80, r3= 9.27, r4= 9.77,
 igr2= 814, 815, 816,
 &end
#
# 15  LEU  QB    51  VAL  HB      4.76
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 808, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
 igr1= 230, 231,
 &end
#
# 15  LEU  QB    51  VAL  QQG      6.59
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 807, r1= 1.30, r2= 1.80, r3= 7.40, r4= 7.90,
 igr1= 230, 231,
 &end
#
# 15  LEU  QQD    21  THR  HA      8.5
 &rst
  ixpk= 0, nxpk= 0, iat= 232, 329, r1= 1.30, r2= 1.80, r3= 8.50, r4= 9.00,  &end
#
# 15  LEU  QQD    51  VAL  HB      6.27
 &rst
  ixpk= 0, nxpk= 0, iat= 232, 808, r1= 1.30, r2= 1.80, r3= 6.27, r4= 6.77,  &end
#
# 15  LEU  QQD    51  VAL  HB      6.27
 &rst
  ixpk= 0, nxpk= 0, iat= 232, 808, r1= 1.30, r2= 1.80, r3= 6.27, r4= 6.77,  &end
#
# 16  SER  HA    23  PHE  HZ      5.9
 &rst
  ixpk= 0, nxpk= 0, iat= 247, 372, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,  &end
#
# 16  SER  HA    23  PHE  HE2      5.9
 &rst
  ixpk= 0, nxpk= 0, iat= 247, 374, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,  &end
#
# 16  SER  HA    49  GLU-  QG      6.78
 &rst
  ixpk= 0, nxpk= 0, iat= 247,  -1, r1= 1.30, r2= 1.80, r3= 7.61, r4= 8.11,
 igr2= 777, 778,
 &end
#
# 16  SER  HA    50  ILE  HA      4.24
 &rst
  ixpk= 0, nxpk= 0, iat= 247, 787, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,  &end
#
# 16  SER  HB2    23  PHE  HZ      4.6
 &rst
  ixpk= 0, nxpk= 0, iat= 249, 372, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,  &end
#
# 16  SER  HB2    23  PHE  HE2      4.82
 &rst
  ixpk= 0, nxpk= 0, iat= 249, 374, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32,  &end
#
# 16  SER  HB2    50  ILE  QD1      6.18
 &rst
  ixpk= 0, nxpk= 0, iat= 249,  -1, r1= 1.30, r2= 1.80, r3= 7.42, r4= 7.92,
 igr2= 798, 799, 800,
 &end
#
# 16  SER  HB3    23  PHE  HZ      4.6
 &rst
  ixpk= 0, nxpk= 0, iat= 250, 372, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,  &end
#
# 16  SER  HB3    23  PHE  HE2      4.82
 &rst
  ixpk= 0, nxpk= 0, iat= 250, 374, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32,  &end
#
# 16  SER  HB3    50  ILE  QD1      6.28
 &rst
  ixpk= 0, nxpk= 0, iat= 250,  -1, r1= 1.30, r2= 1.80, r3= 7.54, r4= 8.04,
 igr2= 798, 799, 800,
 &end
#
# 16  SER  QB    23  PHE  HZ      4.33
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 372, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
 igr1= 249, 250,
 &end
#
# 16  SER  QB    23  PHE  HE2      4.48
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 374, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,
 igr1= 249, 250,
 &end
#
# 16  SER  QB    28  LEU  QQD      9.37
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 453, r1= 1.30, r2= 1.80, r3=10.52, r4=11.02,
 igr1= 249, 250,
 &end
#
# 16  SER  QB    28  LEU  QQD      9.37
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 453, r1= 1.30, r2= 1.80, r3=10.52, r4=11.02,
 igr1= 249, 250,
 &end
#
# 16  SER  QB    50  ILE  QD1      5.97
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.05, r4= 8.55,
 igr1= 249, 250,
 igr2= 798, 799, 800,
 &end
#
# 18  LYS+  HA    18  LYS+  QE      5.75
 &rst
  ixpk= 0, nxpk= 0, iat= 272,  -1, r1= 1.30, r2= 1.80, r3= 6.45, r4= 6.95,
 igr2= 283, 284,
 &end
#
# 21  THR  HA    22  ILE  HB      5.06
 &rst
  ixpk= 0, nxpk= 0, iat= 329, 345, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,  &end
#
# 21  THR  HA    22  ILE  QG2      5.97
 &rst
  ixpk= 0, nxpk= 0, iat= 329,  -1, r1= 1.30, r2= 1.80, r3= 7.17, r4= 7.67,
 igr2= 347, 348, 349,
 &end
#
# 21  THR  HB    23  PHE  HE1      5.34
 &rst
  ixpk= 0, nxpk= 0, iat= 331, 370, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,  &end
#
# 21  THR  QG2    23  PHE  HE1      5.66
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 370, r1= 1.30, r2= 1.80, r3= 6.80, r4= 7.30,
 igr1= 333, 334, 335,
 &end
#
# 21  THR  QG2    23  PHE  HZ      5.69
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 372, r1= 1.30, r2= 1.80, r3= 6.83, r4= 7.33,
 igr1= 333, 334, 335,
 &end
#
# 22  ILE  HA    22  ILE  QD1      5.16
 &rst
  ixpk= 0, nxpk= 0, iat= 343,  -1, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70,
 igr2= 354, 355, 356,
 &end
#
# 22  ILE  HA    23  PHE  HA      5.9
 &rst
  ixpk= 0, nxpk= 0, iat= 343, 362, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,  &end
#
# 22  ILE  HA    23  PHE  HD1      5.9
 &rst
  ixpk= 0, nxpk= 0, iat= 343, 368, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,  &end
#
# 22  ILE  HA    23  PHE  HD2      5.9
 &rst
  ixpk= 0, nxpk= 0, iat= 343, 376, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,  &end
#
# 23  PHE  HA    23  PHE  HD1      5.59
 &rst
  ixpk= 0, nxpk= 0, iat= 362, 368, r1= 1.30, r2= 1.80, r3= 5.59, r4= 6.09,  &end
#
# 23  PHE  HA    23  PHE  HD2      5.71
 &rst
  ixpk= 0, nxpk= 0, iat= 362, 376, r1= 1.30, r2= 1.80, r3= 5.71, r4= 6.21,  &end
#
# 23  PHE  HB2    28  LEU  QB      6.78
 &rst
  ixpk= 0, nxpk= 0, iat= 364,  -1, r1= 1.30, r2= 1.80, r3= 7.61, r4= 8.11,
 igr2= 451, 452,
 &end
#
# 23  PHE  HB2    28  LEU  QD1      6.8
 &rst
  ixpk= 0, nxpk= 0, iat= 364,  -1, r1= 1.30, r2= 1.80, r3= 8.17, r4= 8.67,
 igr2= 456, 457, 458,
 &end
#
# 23  PHE  HB2    28  LEU  QD2      6.8
 &rst
  ixpk= 0, nxpk= 0, iat= 364,  -1, r1= 1.30, r2= 1.80, r3= 8.17, r4= 8.67,
 igr2= 460, 461, 462,
 &end
#
# 23  PHE  HB3    28  LEU  QB      6.78
 &rst
  ixpk= 0, nxpk= 0, iat= 365,  -1, r1= 1.30, r2= 1.80, r3= 7.61, r4= 8.11,
 igr2= 451, 452,
 &end
#
# 23  PHE  HB3    28  LEU  QD1      6.8
 &rst
  ixpk= 0, nxpk= 0, iat= 365,  -1, r1= 1.30, r2= 1.80, r3= 8.17, r4= 8.67,
 igr2= 456, 457, 458,
 &end
#
# 23  PHE  HB3    28  LEU  QD2      6.8
 &rst
  ixpk= 0, nxpk= 0, iat= 365,  -1, r1= 1.30, r2= 1.80, r3= 8.17, r4= 8.67,
 igr2= 460, 461, 462,
 &end
#
# 23  PHE  QB    28  LEU  HA      4.64
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 449, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71,
 igr1= 364, 365,
 &end
#
# 23  PHE  QB    28  LEU  QQD      5.85
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 453, r1= 1.30, r2= 1.80, r3= 6.57, r4= 7.07,
 igr1= 364, 365,
 &end
#
# 23  PHE  QB    28  LEU  QQD      5.85
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 453, r1= 1.30, r2= 1.80, r3= 6.57, r4= 7.07,
 igr1= 364, 365,
 &end
#
# 23  PHE  QR    28  LEU  QD1      9.41
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=14.78, r4=15.28,
 igr1= 368, 376, 370, 374, 372,
 igr2= 456, 457, 458,
 &end
#
# 23  PHE  QR    28  LEU  QD2      9.41
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=14.78, r4=15.28,
 igr1= 368, 376, 370, 374, 372,
 igr2= 460, 461, 462,
 &end
#
# 23  PHE  HD1    28  LEU  HA      5.9
 &rst
  ixpk= 0, nxpk= 0, iat= 368, 449, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,  &end
#
# 23  PHE  HD1    28  LEU  QB      6.78
 &rst
  ixpk= 0, nxpk= 0, iat= 368,  -1, r1= 1.30, r2= 1.80, r3= 7.61, r4= 8.11,
 igr2= 451, 452,
 &end
#
# 23  PHE  HD1    28  LEU  QQD      8.03
 &rst
  ixpk= 0, nxpk= 0, iat= 368, 453, r1= 1.30, r2= 1.80, r3= 8.03, r4= 8.53,  &end
#
# 23  PHE  HD2    28  LEU  HA      5.9
 &rst
  ixpk= 0, nxpk= 0, iat= 376, 449, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,  &end
#
# 23  PHE  HD2    28  LEU  QB      6.78
 &rst
  ixpk= 0, nxpk= 0, iat= 376,  -1, r1= 1.30, r2= 1.80, r3= 7.61, r4= 8.11,
 igr2= 451, 452,
 &end
#
# 24  GLU-  QB    27  LEU  QB      7.65
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.64, r4=10.14,
 igr1= 384, 385,
 igr2= 432, 433,
 &end
#
# 24  GLU-  QB    27  LEU  HG      6.59
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 435, r1= 1.30, r2= 1.80, r3= 7.40, r4= 7.90,
 igr1= 384, 385,
 &end
#
# 24  GLU-  QB    27  LEU  QD1      7.8
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.51, r4=11.01,
 igr1= 384, 385,
 igr2= 437, 438, 439,
 &end
#
# 24  GLU-  QB    27  LEU  QD2      7.8
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.51, r4=11.01,
 igr1= 384, 385,
 igr2= 441, 442, 443,
 &end
#
# 24  GLU-  QB    27  LEU  QQD      7.4
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 434, r1= 1.30, r2= 1.80, r3= 8.31, r4= 8.81,
 igr1= 384, 385,
 &end
#
# 25  LYS+  HA    52  GLU-  QB      6.06
 &rst
  ixpk= 0, nxpk= 0, iat= 397,  -1, r1= 1.30, r2= 1.80, r3= 6.80, r4= 7.30,
 igr2= 824, 825,
 &end
#
# 25  LYS+  HA    52  GLU-  QG      6.31
 &rst
  ixpk= 0, nxpk= 0, iat= 397,  -1, r1= 1.30, r2= 1.80, r3= 7.08, r4= 7.58,
 igr2= 827, 828,
 &end
#
# 26  SER  QB    27  LEU  HG      5.51
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 435, r1= 1.30, r2= 1.80, r3= 6.18, r4= 6.68,
 igr1= 421, 422,
 &end
#
# 28  LEU  HA    28  LEU  QD1      4.85
 &rst
  ixpk= 0, nxpk= 0, iat= 449,  -1, r1= 1.30, r2= 1.80, r3= 5.82, r4= 6.32,
 igr2= 456, 457, 458,
 &end
#
# 28  LEU  HA    28  LEU  QD2      4.85
 &rst
  ixpk= 0, nxpk= 0, iat= 449,  -1, r1= 1.30, r2= 1.80, r3= 5.82, r4= 6.32,
 igr2= 460, 461, 462,
 &end
#
# 28  LEU  HA    28  LEU  QQD      4.28
 &rst
  ixpk= 0, nxpk= 0, iat= 449, 453, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78,  &end
#
# 28  LEU  QB    29  GLU-  QG      7.65
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.64, r4=10.14,
 igr1= 451, 452,
 igr2= 473, 474,
 &end
#
# 28  LEU  HG    32  VAL  HA      5.9
 &rst
  ixpk= 0, nxpk= 0, iat= 454, 521, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,  &end
#
# 28  LEU  QQD    29  GLU-  HA      5.68
 &rst
  ixpk= 0, nxpk= 0, iat= 453, 468, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18,  &end
#
# 28  LEU  QQD    29  GLU-  QB      7.73
 &rst
  ixpk= 0, nxpk= 0, iat= 453,  -1, r1= 1.30, r2= 1.80, r3= 8.68, r4= 9.18,
 igr2= 470, 471,
 &end
#
# 28  LEU  QQD    29  GLU-  QG      7.58
 &rst
  ixpk= 0, nxpk= 0, iat= 453,  -1, r1= 1.30, r2= 1.80, r3= 8.51, r4= 9.01,
 igr2= 473, 474,
 &end
#
# 28  LEU  QQD    31  TYR  QB      8.6
 &rst
  ixpk= 0, nxpk= 0, iat= 453,  -1, r1= 1.30, r2= 1.80, r3= 9.65, r4=10.15,
 igr2= 502, 503,
 &end
#
# 28  LEU  QQD    32  VAL  HA      8.5
 &rst
  ixpk= 0, nxpk= 0, iat= 453, 521, r1= 1.30, r2= 1.80, r3= 8.50, r4= 9.00,  &end
#
# 28  LEU  QQD    32  VAL  HB      8.13
 &rst
  ixpk= 0, nxpk= 0, iat= 453, 523, r1= 1.30, r2= 1.80, r3= 8.13, r4= 8.63,  &end
#
# 28  LEU  QQD    38  ASP-  HA      7.16
 &rst
  ixpk= 0, nxpk= 0, iat= 453, 606, r1= 1.30, r2= 1.80, r3= 7.16, r4= 7.66,  &end
#
# 28  LEU  QQD    39  PRO  QB      8.91
 &rst
  ixpk= 0, nxpk= 0, iat= 453,  -1, r1= 1.30, r2= 1.80, r3=10.00, r4=10.50,
 igr2= 623, 624,
 &end
#
# 28  LEU  QQD    39  PRO  QG      8.91
 &rst
  ixpk= 0, nxpk= 0, iat= 453,  -1, r1= 1.30, r2= 1.80, r3=10.00, r4=10.50,
 igr2= 620, 621,
 &end
#
# 28  LEU  QQD    39  PRO  QD      8.78
 &rst
  ixpk= 0, nxpk= 0, iat= 453,  -1, r1= 1.30, r2= 1.80, r3= 9.86, r4=10.36,
 igr2= 617, 618,
 &end
#
# 28  LEU  QQD    50  ILE  QG2      7.32
 &rst
  ixpk= 0, nxpk= 0, iat= 453,  -1, r1= 1.30, r2= 1.80, r3= 8.79, r4= 9.29,
 igr2= 791, 792, 793,
 &end
#
# 30  GLN  QB    32  VAL  QQG      8.9
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 522, r1= 1.30, r2= 1.80, r3= 9.99, r4=10.49,
 igr1= 485, 486,
 &end
#
# 31  TYR  HA    31  TYR  QB      3.12
 &rst
  ixpk= 0, nxpk= 0, iat= 500,  -1, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,
 igr2= 502, 503,
 &end
#
# 31  TYR  HA    31  TYR  HD1      4.88
 &rst
  ixpk= 0, nxpk= 0, iat= 500, 506, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,  &end
#
# 31  TYR  HA    31  TYR  HD2      5.06
 &rst
  ixpk= 0, nxpk= 0, iat= 500, 515, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,  &end
#
# 31  TYR  HA    32  VAL  QQG      7.68
 &rst
  ixpk= 0, nxpk= 0, iat= 500, 522, r1= 1.30, r2= 1.80, r3= 7.68, r4= 8.18,  &end
#
# 31  TYR  HA    35  THR  QG2      5.47
 &rst
  ixpk= 0, nxpk= 0, iat= 500,  -1, r1= 1.30, r2= 1.80, r3= 6.57, r4= 7.07,
 igr2= 575, 576, 577,
 &end
#
# 31  TYR  QB    32  VAL  HA      6.28
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 521, r1= 1.30, r2= 1.80, r3= 7.05, r4= 7.55,
 igr1= 502, 503,
 &end
#
# 31  TYR  QD    39  PRO  HB2      8.04
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 623, r1= 1.30, r2= 1.80, r3= 9.02, r4= 9.52,
 igr1= 506, 515,
 &end
#
# 31  TYR  QD    39  PRO  HB3      8.04
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 624, r1= 1.30, r2= 1.80, r3= 9.02, r4= 9.52,
 igr1= 506, 515,
 &end
#
# 31  TYR  QD    39  PRO  QG      7.99
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.07, r4=10.57,
 igr1= 506, 515,
 igr2= 620, 621,
 &end
#
# 31  TYR  QD    39  PRO  QD      8.92
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=11.24, r4=11.74,
 igr1= 506, 515,
 igr2= 617, 618,
 &end
#
# 31  TYR  QE    37  ASN  HA      8.03
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 592, r1= 1.30, r2= 1.80, r3= 9.01, r4= 9.51,
 igr1= 508, 513,
 &end
#
# 31  TYR  QE    37  ASN  HB2      8.03
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 594, r1= 1.30, r2= 1.80, r3= 9.01, r4= 9.51,
 igr1= 508, 513,
 &end
#
# 31  TYR  QE    37  ASN  HB3      8.03
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 595, r1= 1.30, r2= 1.80, r3= 9.01, r4= 9.51,
 igr1= 508, 513,
 &end
#
# 31  TYR  QE    37  ASN  QB      7.87
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.92, r4=10.42,
 igr1= 508, 513,
 igr2= 594, 595,
 &end
#
# 31  TYR  QE    39  PRO  HB2      8.03
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 623, r1= 1.30, r2= 1.80, r3= 9.01, r4= 9.51,
 igr1= 508, 513,
 &end
#
# 31  TYR  QE    39  PRO  HB3      8.03
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 624, r1= 1.30, r2= 1.80, r3= 9.01, r4= 9.51,
 igr1= 508, 513,
 &end
#
# 31  TYR  QR    38  ASP-  HA      8.39
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 606, r1= 1.30, r2= 1.80, r3=10.57, r4=11.07,
 igr1= 506, 515, 508, 513,
 &end
#
# 31  TYR  HD1    32  VAL  HA      5.9
 &rst
  ixpk= 0, nxpk= 0, iat= 506, 521, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,  &end
#
# 31  TYR  HD1    35  THR  QG2      6.93
 &rst
  ixpk= 0, nxpk= 0, iat= 506,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr2= 575, 576, 577,
 &end
#
# 31  TYR  HD1    39  PRO  HA      5.9
 &rst
  ixpk= 0, nxpk= 0, iat= 506, 626, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,  &end
#
# 31  TYR  HE1    35  THR  QG2      6.77
 &rst
  ixpk= 0, nxpk= 0, iat= 508,  -1, r1= 1.30, r2= 1.80, r3= 8.13, r4= 8.63,
 igr2= 575, 576, 577,
 &end
#
# 31  TYR  HE1    39  PRO  HA      4.63
 &rst
  ixpk= 0, nxpk= 0, iat= 508, 626, r1= 1.30, r2= 1.80, r3= 4.63, r4= 5.13,  &end
#
# 31  TYR  HE1    42  ASN  QB      6.78
 &rst
  ixpk= 0, nxpk= 0, iat= 508,  -1, r1= 1.30, r2= 1.80, r3= 7.61, r4= 8.11,
 igr2= 667, 668,
 &end
#
# 31  TYR  HE2    35  THR  QG2      6.93
 &rst
  ixpk= 0, nxpk= 0, iat= 513,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr2= 575, 576, 577,
 &end
#
# 31  TYR  HE2    39  PRO  HA      4.71
 &rst
  ixpk= 0, nxpk= 0, iat= 513, 626, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,  &end
#
# 31  TYR  HE2    42  ASN  QB      6.78
 &rst
  ixpk= 0, nxpk= 0, iat= 513,  -1, r1= 1.30, r2= 1.80, r3= 7.61, r4= 8.11,
 igr2= 667, 668,
 &end
#
# 31  TYR  HD2    32  VAL  HA      6
 &rst
  ixpk= 0, nxpk= 0, iat= 515, 521, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
# 31  TYR  HD2    35  THR  QG2      6.93
 &rst
  ixpk= 0, nxpk= 0, iat= 515,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr2= 575, 576, 577,
 &end
#
# 31  TYR  HD2    39  PRO  HA      5.9
 &rst
  ixpk= 0, nxpk= 0, iat= 515, 626, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,  &end
#
# 32  VAL  HA    36  GLY  HA1      4.94
 &rst
  ixpk= 0, nxpk= 0, iat= 521, 585, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,  &end
#
# 32  VAL  HA    36  GLY  HA2      4.94
 &rst
  ixpk= 0, nxpk= 0, iat= 521, 586, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,  &end
#
# 32  VAL  HA    36  GLY  QA      4.51
 &rst
  ixpk= 0, nxpk= 0, iat= 521,  -1, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,
 igr2= 585, 586,
 &end
#
# 32  VAL  HB    46  SER  HA      5.9
 &rst
  ixpk= 0, nxpk= 0, iat= 523, 727, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,  &end
#
# 32  VAL  HB    46  SER  HB2      5.06
 &rst
  ixpk= 0, nxpk= 0, iat= 523, 729, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,  &end
#
# 32  VAL  HB    46  SER  HB3      5.06
 &rst
  ixpk= 0, nxpk= 0, iat= 523, 730, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,  &end
#
# 32  VAL  HB    46  SER  QB      4.89
 &rst
  ixpk= 0, nxpk= 0, iat= 523,  -1, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99,
 igr2= 729, 730,
 &end
#
# 32  VAL  QQG    33  LYS+  HA      7.03
 &rst
  ixpk= 0, nxpk= 0, iat= 522, 537, r1= 1.30, r2= 1.80, r3= 7.03, r4= 7.53,  &end
#
# 32  VAL  QQG    36  GLY  QA      8.74
 &rst
  ixpk= 0, nxpk= 0, iat= 522,  -1, r1= 1.30, r2= 1.80, r3= 9.81, r4=10.31,
 igr2= 585, 586,
 &end
#
# 32  VAL  QQG    39  PRO  QD      8.9
 &rst
  ixpk= 0, nxpk= 0, iat= 522,  -1, r1= 1.30, r2= 1.80, r3= 9.99, r4=10.49,
 igr2= 617, 618,
 &end
#
# 32  VAL  QQG    46  SER  HA      6.04
 &rst
  ixpk= 0, nxpk= 0, iat= 522, 727, r1= 1.30, r2= 1.80, r3= 6.04, r4= 6.54,  &end
#
# 32  VAL  QQG    46  SER  HB2      8.02
 &rst
  ixpk= 0, nxpk= 0, iat= 522, 729, r1= 1.30, r2= 1.80, r3= 8.02, r4= 8.52,  &end
#
# 32  VAL  QQG    46  SER  HB3      8.02
 &rst
  ixpk= 0, nxpk= 0, iat= 522, 730, r1= 1.30, r2= 1.80, r3= 8.02, r4= 8.52,  &end
#
# 34  ASP-  HB2    35  THR  QG2      5.25
 &rst
  ixpk= 0, nxpk= 0, iat= 561,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr2= 575, 576, 577,
 &end
#
# 34  ASP-  HB3    35  THR  QG2      5.25
 &rst
  ixpk= 0, nxpk= 0, iat= 562,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr2= 575, 576, 577,
 &end
#
# 34  ASP-  QB    35  THR  HB      6.78
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 573, r1= 1.30, r2= 1.80, r3= 7.61, r4= 8.11,
 igr1= 561, 562,
 &end
#
# 34  ASP-  QB    35  THR  QG2      4.96
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.69, r4= 7.19,
 igr1= 561, 562,
 igr2= 575, 576, 577,
 &end
#
# 34  ASP-  QB    35  THR  QG2      4.96
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.69, r4= 7.19,
 igr1= 561, 562,
 igr2= 575, 576, 577,
 &end
#
# 35  THR  HA    35  THR  HB      3.08
 &rst
  ixpk= 0, nxpk= 0, iat= 571, 573, r1= 1.30, r2= 1.80, r3= 3.08, r4= 3.58,  &end
#
# 35  THR  HA    35  THR  QG2      4.01
 &rst
  ixpk= 0, nxpk= 0, iat= 571,  -1, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32,
 igr2= 575, 576, 577,
 &end
#
# 35  THR  HB    37  ASN  HB2      5.9
 &rst
  ixpk= 0, nxpk= 0, iat= 573, 594, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,  &end
#
# 35  THR  HB    37  ASN  HB3      5.9
 &rst
  ixpk= 0, nxpk= 0, iat= 573, 595, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,  &end
#
# 35  THR  HB    37  ASN  QB      5.48
 &rst
  ixpk= 0, nxpk= 0, iat= 573,  -1, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65,
 igr2= 594, 595,
 &end
#
# 35  THR  QG2    37  ASN  HB2      6.93
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 594, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 575, 576, 577,
 &end
#
# 35  THR  QG2    37  ASN  HB3      6.93
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 595, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 575, 576, 577,
 &end
#
# 35  THR  QG2    37  ASN  QB      6.67
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.99, r4= 9.49,
 igr1= 575, 576, 577,
 igr2= 594, 595,
 &end
#
# 36  GLY  HA1    37  ASN  HA      5.9
 &rst
  ixpk= 0, nxpk= 0, iat= 585, 592, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,  &end
#
# 36  GLY  HA1    45  LEU  HG      4.41
 &rst
  ixpk= 0, nxpk= 0, iat= 585, 713, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,  &end
#
# 36  GLY  HA2    37  ASN  HA      5.9
 &rst
  ixpk= 0, nxpk= 0, iat= 586, 592, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,  &end
#
# 36  GLY  HA2    45  LEU  HG      4.41
 &rst
  ixpk= 0, nxpk= 0, iat= 586, 713, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,  &end
#
# 36  GLY  QA    37  ASN  HA      5.47
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 592, r1= 1.30, r2= 1.80, r3= 6.14, r4= 6.64,
 igr1= 585, 586,
 &end
#
# 36  GLY  QA    45  LEU  HG      4.04
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 713, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
 igr1= 585, 586,
 &end
#
# 37  ASN  HA    42  ASN  HA      3.76
 &rst
  ixpk= 0, nxpk= 0, iat= 592, 665, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26,  &end
#
# 37  ASN  HA    44  PRO  HA      3.02
 &rst
  ixpk= 0, nxpk= 0, iat= 592, 702, r1= 1.30, r2= 1.80, r3= 3.02, r4= 3.52,  &end
#
# 37  ASN  HA    44  PRO  QB      6.78
 &rst
  ixpk= 0, nxpk= 0, iat= 592,  -1, r1= 1.30, r2= 1.80, r3= 7.61, r4= 8.11,
 igr2= 699, 700,
 &end
#
# 37  ASN  HA    45  LEU  QB      6.78
 &rst
  ixpk= 0, nxpk= 0, iat= 592,  -1, r1= 1.30, r2= 1.80, r3= 7.61, r4= 8.11,
 igr2= 710, 711,
 &end
#
# 37  ASN  HB2    42  ASN  HA      3.76
 &rst
  ixpk= 0, nxpk= 0, iat= 594, 665, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26,  &end
#
# 37  ASN  HB2    44  PRO  HA      5.9
 &rst
  ixpk= 0, nxpk= 0, iat= 594, 702, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,  &end
#
# 37  ASN  HB3    42  ASN  HA      3.76
 &rst
  ixpk= 0, nxpk= 0, iat= 595, 665, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26,  &end
#
# 37  ASN  HB3    44  PRO  HA      5.9
 &rst
  ixpk= 0, nxpk= 0, iat= 595, 702, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,  &end
#
# 38  ASP-  HA    39  PRO  HB2      5.9
 &rst
  ixpk= 0, nxpk= 0, iat= 606, 623, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,  &end
#
# 38  ASP-  HA    39  PRO  HB3      5.9
 &rst
  ixpk= 0, nxpk= 0, iat= 606, 624, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,  &end
#
# 38  ASP-  HA    39  PRO  QB      5.72
 &rst
  ixpk= 0, nxpk= 0, iat= 606,  -1, r1= 1.30, r2= 1.80, r3= 6.42, r4= 6.92,
 igr2= 623, 624,
 &end
#
# 38  ASP-  QB    46  SER  HA      6.78
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 727, r1= 1.30, r2= 1.80, r3= 7.61, r4= 8.11,
 igr1= 608, 609,
 &end
#
# 38  ASP-  QB    46  SER  HB2      6.78
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 729, r1= 1.30, r2= 1.80, r3= 7.61, r4= 8.11,
 igr1= 608, 609,
 &end
#
# 38  ASP-  QB    46  SER  HB3      6.78
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 730, r1= 1.30, r2= 1.80, r3= 7.61, r4= 8.11,
 igr1= 608, 609,
 &end
#
# 38  ASP-  QB    46  SER  QB      6.41
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.08, r4= 8.58,
 igr1= 608, 609,
 igr2= 729, 730,
 &end
#
# 39  PRO  QB    40  ILE  HB      5.38
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 634, r1= 1.30, r2= 1.80, r3= 6.04, r4= 6.54,
 igr1= 623, 624,
 &end
#
# 41  THR  HB    43  GLU-  QG      6.17
 &rst
  ixpk= 0, nxpk= 0, iat= 653,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr2= 684, 685,
 &end
#
# 42  ASN  HA    42  ASN  HB2      3.17
 &rst
  ixpk= 0, nxpk= 0, iat= 665, 667, r1= 1.30, r2= 1.80, r3= 3.17, r4= 3.67,  &end
#
# 42  ASN  HA    42  ASN  HB3      3.17
 &rst
  ixpk= 0, nxpk= 0, iat= 665, 668, r1= 1.30, r2= 1.80, r3= 3.17, r4= 3.67,  &end
#
# 43  GLU-  HB2    44  PRO  HD2      7.06
 &rst
  ixpk= 0, nxpk= 0, iat= 681, 693, r1= 1.30, r2= 1.80, r3= 7.06, r4= 7.56,  &end
#
# 43  GLU-  HB2    44  PRO  HD3      7.06
 &rst
  ixpk= 0, nxpk= 0, iat= 681, 694, r1= 1.30, r2= 1.80, r3= 7.06, r4= 7.56,  &end
#
# 43  GLU-  HB3    44  PRO  HD2      7.06
 &rst
  ixpk= 0, nxpk= 0, iat= 682, 693, r1= 1.30, r2= 1.80, r3= 7.06, r4= 7.56,  &end
#
# 43  GLU-  HB3    44  PRO  HD3      7.06
 &rst
  ixpk= 0, nxpk= 0, iat= 682, 694, r1= 1.30, r2= 1.80, r3= 7.06, r4= 7.56,  &end
#
# 43  GLU-  QB    44  PRO  QD      6.03
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.60, r4= 8.10,
 igr1= 681, 682,
 igr2= 693, 694,
 &end
#
# 45  LEU  HA    45  LEU  HG      3.17
 &rst
  ixpk= 0, nxpk= 0, iat= 708, 713, r1= 1.30, r2= 1.80, r3= 3.17, r4= 3.67,  &end
#
# 45  LEU  QB    46  SER  HA      5.88
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 727, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,
 igr1= 710, 711,
 &end
#
# 45  LEU  HG    48  GLU-  QB      5.35
 &rst
  ixpk= 0, nxpk= 0, iat= 713,  -1, r1= 1.30, r2= 1.80, r3= 6.01, r4= 6.51,
 igr2= 759, 760,
 &end
#
# 46  SER  HA    46  SER  HB2      3.08
 &rst
  ixpk= 0, nxpk= 0, iat= 727, 729, r1= 1.30, r2= 1.80, r3= 3.08, r4= 3.58,  &end
#
# 46  SER  HA    46  SER  HB3      3.08
 &rst
  ixpk= 0, nxpk= 0, iat= 727, 730, r1= 1.30, r2= 1.80, r3= 3.08, r4= 3.58,  &end
#
# 47  ILE  HB    47  ILE  QD1      3.83
 &rst
  ixpk= 0, nxpk= 0, iat= 740,  -1, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
 igr2= 749, 750, 751,
 &end
#
# 14  VAL  HN    23  PHE  O      2.3
 &rst
  ixpk= 0, nxpk= 0, iat= 210, 378, r1= 1.30, r2= 1.80, r3= 2.30, r4= 2.80,  &end
#
# 15  LEU  HN    51  VAL  O      2.3
 &rst
  ixpk= 0, nxpk= 0, iat= 226, 818, r1= 1.30, r2= 1.80, r3= 2.30, r4= 2.80,  &end
#
# 23  PHE  HN    14  VAL  O      2.3
 &rst
  ixpk= 0, nxpk= 0, iat= 360, 224, r1= 1.30, r2= 1.80, r3= 2.30, r4= 2.80,  &end
#
# 28  LEU  HN    24  GLU-  O      2.3
 &rst
  ixpk= 0, nxpk= 0, iat= 447, 393, r1= 1.30, r2= 1.80, r3= 2.30, r4= 2.80,  &end
#
# 29  GLU-  HN    25  LYS+  O      2.3
 &rst
  ixpk= 0, nxpk= 0, iat= 466, 415, r1= 1.30, r2= 1.80, r3= 2.30, r4= 2.80,  &end
#
# 30  GLN  HN    26  SER  O      2.3
 &rst
  ixpk= 0, nxpk= 0, iat= 481, 426, r1= 1.30, r2= 1.80, r3= 2.30, r4= 2.80,  &end
#
# 31  TYR  HN    27  LEU  O      2.3
 &rst
  ixpk= 0, nxpk= 0, iat= 498, 445, r1= 1.30, r2= 1.80, r3= 2.30, r4= 2.80,  &end
#
# 32  VAL  HN    28  LEU  O      2.3
 &rst
  ixpk= 0, nxpk= 0, iat= 519, 464, r1= 1.30, r2= 1.80, r3= 2.30, r4= 2.80,  &end
#
# 33  LYS+  HN    29  GLU-  O      2.3
 &rst
  ixpk= 0, nxpk= 0, iat= 535, 479, r1= 1.30, r2= 1.80, r3= 2.30, r4= 2.80,  &end
#
# 34  ASP-  HN    30  GLN  O      2.3
 &rst
  ixpk= 0, nxpk= 0, iat= 557, 496, r1= 1.30, r2= 1.80, r3= 2.30, r4= 2.80,  &end
#
# 35  THR  HN    31  TYR  O      2.3
 &rst
  ixpk= 0, nxpk= 0, iat= 569, 517, r1= 1.30, r2= 1.80, r3= 2.30, r4= 2.80,  &end
#
# 38  ASP-  HN    43  GLU-  O      2.3
 &rst
  ixpk= 0, nxpk= 0, iat= 604, 690, r1= 1.30, r2= 1.80, r3= 2.30, r4= 2.80,  &end
#
# 45  LEU  HN    36  GLY  O      2.3
 &rst
  ixpk= 0, nxpk= 0, iat= 706, 588, r1= 1.30, r2= 1.80, r3= 2.30, r4= 2.80,  &end
#
# 49  GLU-  HN    46  SER  O      2.3
 &rst
  ixpk= 0, nxpk= 0, iat= 770, 734, r1= 1.30, r2= 1.80, r3= 2.30, r4= 2.80,  &end
#
# 50  ILE  HN    47  ILE  O      2.3
 &rst
  ixpk= 0, nxpk= 0, iat= 785, 753, r1= 1.30, r2= 1.80, r3= 2.30, r4= 2.80,  &end
#
# 51  VAL  HN    15  LEU  O      2.3
 &rst
  ixpk= 0, nxpk= 0, iat= 804, 243, r1= 1.30, r2= 1.80, r3= 2.30, r4= 2.80,  &end
#
# 53  ILE  HN    13  PRO  O      2.3
 &rst
  ixpk= 0, nxpk= 0, iat= 835, 208, r1= 1.30, r2= 1.80, r3= 2.30, r4= 2.80,  &end
#
# 3  CYS  HA    3  CYS  HG      4.35
 &rst
  ixpk= 0, nxpk= 0, iat=  40,  45, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85,  &end
#
# 3  CYS  HB2    3  CYS  HG      6.78
 &rst
  ixpk= 0, nxpk= 0, iat=  42,  45, r1= 1.30, r2= 1.80, r3= 6.78, r4= 7.28,  &end
#
# 3  CYS  HB3    3  CYS  HG      6.78
 &rst
  ixpk= 0, nxpk= 0, iat=  43,  45, r1= 1.30, r2= 1.80, r3= 6.78, r4= 7.28,  &end
#
# 3  CYS  HG    5  ILE  HN      5.9
 &rst
  ixpk= 0, nxpk= 0, iat=  45,  59, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,  &end
#
# 3  CYS  HG    6  SER  HN      5.47
 &rst
  ixpk= 0, nxpk= 0, iat=  45,  78, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,  &end
#
# 3  CYS  HG    6  SER  HA      5.9
 &rst
  ixpk= 0, nxpk= 0, iat=  45,  80, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,  &end
#
# 3  CYS  HG    7  GLY  HN      5.9
 &rst
  ixpk= 0, nxpk= 0, iat=  45,  89, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,  &end
#
# 3  CYS  HG    8  LYS+  HN      5.9
 &rst
  ixpk= 0, nxpk= 0, iat=  45,  96, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,  &end
#
# 41  THR  HG1    38  ASP-  HB3      3.4
 &rst
  ixpk= 0, nxpk= 0, iat= 659, 609, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90,  &end
#
# 41  THR  HN    41  THR  HG1      5.9
 &rst
  ixpk= 0, nxpk= 0, iat= 649, 659, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,  &end
#
# 41  THR  HA    41  THR  HG1      3.27
 &rst
  ixpk= 0, nxpk= 0, iat= 651, 659, r1= 1.30, r2= 1.80, r3= 3.27, r4= 3.77,  &end
#
# 41  THR  HG1    43  GLU-  HN      4.78
 &rst
  ixpk= 0, nxpk= 0, iat= 659, 677, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28,  &end
#
# 41  THR  HG1    43  GLU-  QB      5.91
 &rst
  ixpk= 0, nxpk= 0, iat= 659,  -1, r1= 1.30, r2= 1.80, r3= 6.63, r4= 7.13,
 igr2= 681, 682,
 &end
#
# 41  THR  HG1    43  GLU-  HG2      6
 &rst
  ixpk= 0, nxpk= 0, iat= 659, 684, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
# 41  THR  HG1    43  GLU-  HG3      5.85
 &rst
  ixpk= 0, nxpk= 0, iat= 659, 685, r1= 1.30, r2= 1.80, r3= 5.85, r4= 6.35,  &end
#
#  14 VAL  N     23 PHE O    2.8   20
 &rst
  ixpk= 0, nxpk= 0, iat= 209, 378, r1= 2.30, r2= 2.80, r3=20.00, r4=20.50, 
      rk2=32.0, rk3=32.0, ir6=1, ialtd=0,
 &end
#
#  15 LEU  N     51 VAL O    2.8   20
 &rst
  ixpk= 0, nxpk= 0, iat= 225, 818, r1= 2.30, r2= 2.80, r3=20.00, r4=20.50,  &end
#
#  23 PHE  N     14 VAL O    2.8   20
 &rst
  ixpk= 0, nxpk= 0, iat= 359, 224, r1= 2.30, r2= 2.80, r3=20.00, r4=20.50,  &end
#
#  28 LEU  N     24 GLU- O    2.8  20
 &rst
  ixpk= 0, nxpk= 0, iat= 446, 393, r1= 2.30, r2= 2.80, r3=20.00, r4=20.50,  &end
#
#  29 GLU-  N     25 LYS+ O    2.8  20
 &rst
  ixpk= 0, nxpk= 0, iat= 465, 415, r1= 2.30, r2= 2.80, r3=20.00, r4=20.50,  &end
#
#  30 GLN  N     26 SER O    2.8    20
 &rst
  ixpk= 0, nxpk= 0, iat= 480, 426, r1= 2.30, r2= 2.80, r3=20.00, r4=20.50,  &end
#
#  31 TYR  N     27 LEU O    2.8    20
 &rst
  ixpk= 0, nxpk= 0, iat= 497, 445, r1= 2.30, r2= 2.80, r3=20.00, r4=20.50,  &end
#
#  32 VAL  N     28 LEU O    2.8    20
 &rst
  ixpk= 0, nxpk= 0, iat= 518, 464, r1= 2.30, r2= 2.80, r3=20.00, r4=20.50,  &end
#
#  33 LYS+  N     29 GLU- O    2.8   20
 &rst
  ixpk= 0, nxpk= 0, iat= 534, 479, r1= 2.30, r2= 2.80, r3=20.00, r4=20.50,  &end
#
#  34 ASP-  N     30 GLN O    2.8    20
 &rst
  ixpk= 0, nxpk= 0, iat= 556, 496, r1= 2.30, r2= 2.80, r3=20.00, r4=20.50,  &end
#
#  35 THR  N     31 TYR O    2.8    20
 &rst
  ixpk= 0, nxpk= 0, iat= 568, 517, r1= 2.30, r2= 2.80, r3=20.00, r4=20.50,  &end
#
#  38 ASP-  N     43 GLU- O    2.8  20
 &rst
  ixpk= 0, nxpk= 0, iat= 603, 690, r1= 2.30, r2= 2.80, r3=20.00, r4=20.50,  &end
#
#  49 GLU-  N     46 SER O    2.8   20
 &rst
  ixpk= 0, nxpk= 0, iat= 769, 734, r1= 2.30, r2= 2.80, r3=20.00, r4=20.50,  &end
#
#  50 ILE  N      47 ILE O    2.8   20
 &rst
  ixpk= 0, nxpk= 0, iat= 784, 753, r1= 2.30, r2= 2.80, r3=20.00, r4=20.50,  &end
#
#  51 VAL  N     15 LEU O    2.8   20
 &rst
  ixpk= 0, nxpk= 0, iat= 803, 243, r1= 2.30, r2= 2.80, r3=20.00, r4=20.50,  &end
#
#  53 ILE  N     13 PRO O    2.8   20
 &rst
  ixpk= 0, nxpk= 0, iat= 834, 208, r1= 2.30, r2= 2.80, r3=20.00, r4=20.50,  &end


Please acknowledge these references in publications where the data from this site have been utilized.

Contact the webmaster for help, if required. Friday, March 29, 2024 9:28:02 AM GMT (wattos1)