NMR Restraints Grid

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

image mrblock_id pdb_id cing stage position program type subtype subsubtype
20705 2gcf cing 1-original 1 AMBER distance NOE ambi



#
#   3 GLN  HN      3 GLN  QG      6.88                
 &rst
  ixpk= 0, nxpk= 0, iat=  31,  -1, r1= 1.30, r2= 1.80, r3= 7.72, r4= 8.22,

      rk2=50.0, rk3=50.0, ir6=1, ialtd=0,
 igr2=  38,  39,
 &end
#
#   3 GLN  HA      4 THR  HN      3.50                
 &rst
  ixpk= 0, nxpk= 0, iat=  33,  48, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   3 GLN  QB     47 TYR  QD      9.00                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=11.34, r4=11.84,
 igr1=  35,  36,
 igr2= 687, 696,
 &end
#
#   3 GLN  QB     47 TYR  QE      9.00                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=11.34, r4=11.84,
 igr1=  35,  36,
 igr2= 689, 694,
 &end
#
#   3 GLN  HG2     4 THR  HN      6.00                
 &rst
  ixpk= 0, nxpk= 0, iat=  38,  48, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   3 GLN  HG2    47 TYR  QD      8.00                
 &rst
  ixpk= 0, nxpk= 0, iat=  38,  -1, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
 igr2= 687, 696,
 &end
#
#   3 GLN  HG3     4 THR  HN      6.00                
 &rst
  ixpk= 0, nxpk= 0, iat=  39,  48, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   3 GLN  HG3    47 TYR  QD      8.00                
 &rst
  ixpk= 0, nxpk= 0, iat=  39,  -1, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
 igr2= 687, 696,
 &end
#
#   3 GLN  QG     47 TYR  QE      8.88                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=11.19, r4=11.69,
 igr1=  38,  39,
 igr2= 689, 694,
 &end
#
#   3 GLN  QG     56 LEU  QQD     9.45                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 823, r1= 1.30, r2= 1.80, r3=10.61, r4=11.11,
 igr1=  38,  39,
 &end
#
#   4 THR  HN      4 THR  HB      4.20                
 &rst
  ixpk= 0, nxpk= 0, iat=  48,  52, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,  &end
#
#   4 THR  HN      4 THR  QG2     4.90                
 &rst
  ixpk= 0, nxpk= 0, iat=  48,  -1, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
 igr2=  54,  55,  56,
 &end
#
#   4 THR  HN      5 ILE  QG2     7.00                
 &rst
  ixpk= 0, nxpk= 0, iat=  48,  -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr2=  68,  69,  70,
 &end
#
#   4 THR  HN      5 ILE  QD1     7.00                
 &rst
  ixpk= 0, nxpk= 0, iat=  48,  -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr2=  75,  76,  77,
 &end
#
#   4 THR  HN     46 SER  QB      6.48                
 &rst
  ixpk= 0, nxpk= 0, iat=  48,  -1, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr2= 672, 673,
 &end
#
#   4 THR  HA     45 VAL  HN      5.90                
 &rst
  ixpk= 0, nxpk= 0, iat=  50, 652, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,  &end
#
#   4 THR  HA     45 VAL  QQG     8.56                
 &rst
  ixpk= 0, nxpk= 0, iat=  50, 655, r1= 1.30, r2= 1.80, r3= 8.56, r4= 9.06,  &end
#
#   4 THR  HA     46 SER  HN      6.00                
 &rst
  ixpk= 0, nxpk= 0, iat=  50, 668, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   4 THR  HA     46 SER  HA      4.00                
 &rst
  ixpk= 0, nxpk= 0, iat=  50, 670, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   4 THR  HA     46 SER  QB      6.88                
 &rst
  ixpk= 0, nxpk= 0, iat=  50,  -1, r1= 1.30, r2= 1.80, r3= 7.72, r4= 8.22,
 igr2= 672, 673,
 &end
#
#   4 THR  HA     47 TYR  HN      4.10                
 &rst
  ixpk= 0, nxpk= 0, iat=  50, 679, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,  &end
#
#   4 THR  HA     47 TYR  QD      8.00                
 &rst
  ixpk= 0, nxpk= 0, iat=  50,  -1, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
 igr2= 687, 696,
 &end
#
#   4 THR  HA     47 TYR  QE      8.00                
 &rst
  ixpk= 0, nxpk= 0, iat=  50,  -1, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
 igr2= 689, 694,
 &end
#
#   4 THR  HB      5 ILE  HN      4.20                
 &rst
  ixpk= 0, nxpk= 0, iat=  52,  62, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,  &end
#
#   4 THR  HB      5 ILE  QD1     7.00                
 &rst
  ixpk= 0, nxpk= 0, iat=  52,  -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr2=  75,  76,  77,
 &end
#
#   4 THR  HB     44 VAL  QQG     8.56                
 &rst
  ixpk= 0, nxpk= 0, iat=  52, 639, r1= 1.30, r2= 1.80, r3= 8.56, r4= 9.06,  &end
#
#   4 THR  HB     45 VAL  QG1     7.00                
 &rst
  ixpk= 0, nxpk= 0, iat=  52,  -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr2= 658, 659, 660,
 &end
#
#   4 THR  HB     45 VAL  QG2     7.00                
 &rst
  ixpk= 0, nxpk= 0, iat=  52,  -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr2= 662, 663, 664,
 &end
#
#   4 THR  HB     46 SER  HA      5.90                
 &rst
  ixpk= 0, nxpk= 0, iat=  52, 670, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,  &end
#
#   4 THR  HB     46 SER  HB2     2.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  52, 672, r1= 1.30, r2= 1.80, r3= 2.60, r4= 3.10,  &end
#
#   4 THR  HB     46 SER  HB3     2.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  52, 673, r1= 1.30, r2= 1.80, r3= 2.60, r4= 3.10,  &end
#
#   4 THR  HB     46 SER  QB      2.34                
 &rst
  ixpk= 0, nxpk= 0, iat=  52,  -1, r1= 1.30, r2= 1.80, r3= 2.63, r4= 3.13,
 igr2= 672, 673,
 &end
#
#   4 THR  HB     47 TYR  QD      8.00                
 &rst
  ixpk= 0, nxpk= 0, iat=  52,  -1, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
 igr2= 687, 696,
 &end
#
#   4 THR  HB     47 TYR  QE      8.00                
 &rst
  ixpk= 0, nxpk= 0, iat=  52,  -1, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
 igr2= 689, 694,
 &end
#
#   4 THR  QG2     5 ILE  HN      7.00                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  62, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr1=  54,  55,  56,
 &end
#
#   4 THR  QG2    45 VAL  HA      7.00                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 654, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr1=  54,  55,  56,
 &end
#
#   4 THR  QG2    46 SER  HN      7.00                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 668, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr1=  54,  55,  56,
 &end
#
#   4 THR  QG2    46 SER  HA      7.00                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 670, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr1=  54,  55,  56,
 &end
#
#   4 THR  QG2    46 SER  HB2     7.00                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 672, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr1=  54,  55,  56,
 &end
#
#   4 THR  QG2    46 SER  HB3     7.00                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 673, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr1=  54,  55,  56,
 &end
#
#   4 THR  QG2    47 TYR  QD      9.00                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=12.13, r4=12.63,
 igr1=  54,  55,  56,
 igr2= 687, 696,
 &end
#
#   4 THR  QG2    47 TYR  QE      9.00                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=12.13, r4=12.63,
 igr1=  54,  55,  56,
 igr2= 689, 694,
 &end
#
#   5 ILE  HN      5 ILE  HG12    4.80                
 &rst
  ixpk= 0, nxpk= 0, iat=  62,  72, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,  &end
#
#   5 ILE  HN      5 ILE  HG13    4.80                
 &rst
  ixpk= 0, nxpk= 0, iat=  62,  73, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,  &end
#
#   5 ILE  HN      5 ILE  QG1     4.62                
 &rst
  ixpk= 0, nxpk= 0, iat=  62,  -1, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,
 igr2=  72,  73,
 &end
#
#   5 ILE  HN      5 ILE  QD1     4.40                
 &rst
  ixpk= 0, nxpk= 0, iat=  62,  -1, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
 igr2=  75,  76,  77,
 &end
#
#   5 ILE  HN      6 ASN  HN      4.80                
 &rst
  ixpk= 0, nxpk= 0, iat=  62,  81, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,  &end
#
#   5 ILE  HN      7 LEU  QQD     8.57                
 &rst
  ixpk= 0, nxpk= 0, iat=  62, 101, r1= 1.30, r2= 1.80, r3= 8.57, r4= 9.07,  &end
#
#   5 ILE  HN     45 VAL  HN      4.30                
 &rst
  ixpk= 0, nxpk= 0, iat=  62, 652, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,  &end
#
#   5 ILE  HN     45 VAL  HB      5.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  62, 656, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,  &end
#
#   5 ILE  HN     45 VAL  QQG     8.56                
 &rst
  ixpk= 0, nxpk= 0, iat=  62, 655, r1= 1.30, r2= 1.80, r3= 8.56, r4= 9.06,  &end
#
#   5 ILE  HN     46 SER  HA      4.20                
 &rst
  ixpk= 0, nxpk= 0, iat=  62, 670, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,  &end
#
#   5 ILE  HN     46 SER  QB      6.88                
 &rst
  ixpk= 0, nxpk= 0, iat=  62,  -1, r1= 1.30, r2= 1.80, r3= 7.72, r4= 8.22,
 igr2= 672, 673,
 &end
#
#   5 ILE  HA      5 ILE  QD1     4.80                
 &rst
  ixpk= 0, nxpk= 0, iat=  64,  -1, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26,
 igr2=  75,  76,  77,
 &end
#
#   5 ILE  HA      7 LEU  QQD     8.57                
 &rst
  ixpk= 0, nxpk= 0, iat=  64, 101, r1= 1.30, r2= 1.80, r3= 8.57, r4= 9.07,  &end
#
#   5 ILE  HA     47 TYR  QE      8.00                
 &rst
  ixpk= 0, nxpk= 0, iat=  64,  -1, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
 igr2= 689, 694,
 &end
#
#   5 ILE  HB      6 ASN  HN      4.40                
 &rst
  ixpk= 0, nxpk= 0, iat=  66,  81, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,  &end
#
#   5 ILE  HB     45 VAL  HN      6.00                
 &rst
  ixpk= 0, nxpk= 0, iat=  66, 652, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   5 ILE  HB     47 TYR  QD      8.00                
 &rst
  ixpk= 0, nxpk= 0, iat=  66,  -1, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
 igr2= 687, 696,
 &end
#
#   5 ILE  HB     47 TYR  QE      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  66,  -1, r1= 1.30, r2= 1.80, r3= 8.53, r4= 9.03,
 igr2= 689, 694,
 &end
#
#   5 ILE  QG2     6 ASN  HN      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  81, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
 igr1=  68,  69,  70,
 &end
#
#   5 ILE  QG2    69 VAL  HA      7.00                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1019, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr1=  68,  69,  70,
 &end
#
#   5 ILE  HG12    6 ASN  HN      5.80                
 &rst
  ixpk= 0, nxpk= 0, iat=  72,  81, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,  &end
#
#   5 ILE  HG12   47 TYR  QE      8.00                
 &rst
  ixpk= 0, nxpk= 0, iat=  72,  -1, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
 igr2= 689, 694,
 &end
#
#   5 ILE  HG13    6 ASN  HN      5.80                
 &rst
  ixpk= 0, nxpk= 0, iat=  73,  81, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,  &end
#
#   5 ILE  HG13   47 TYR  QE      8.00                
 &rst
  ixpk= 0, nxpk= 0, iat=  73,  -1, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
 igr2= 689, 694,
 &end
#
#   5 ILE  QG1     6 ASN  QD2     7.74                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.75, r4=10.25,
 igr1=  72,  73,
 igr2=  90,  91,
 &end
#
#   5 ILE  QG1     7 LEU  QQD     9.45                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 101, r1= 1.30, r2= 1.80, r3=10.61, r4=11.11,
 igr1=  72,  73,
 &end
#
#   5 ILE  QG1    47 TYR  QD      8.88                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=11.19, r4=11.69,
 igr1=  72,  73,
 igr2= 687, 696,
 &end
#
#   5 ILE  QD1     6 ASN  HN      5.80                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  81, r1= 1.30, r2= 1.80, r3= 6.97, r4= 7.47,
 igr1=  75,  76,  77,
 &end
#
#   5 ILE  QD1     6 ASN  HD21    7.00                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  90, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr1=  75,  76,  77,
 &end
#
#   5 ILE  QD1     6 ASN  HD22    7.00                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  91, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr1=  75,  76,  77,
 &end
#
#   5 ILE  QD1     7 LEU  QQD     9.57                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 101, r1= 1.30, r2= 1.80, r3=11.49, r4=11.99,
 igr1=  75,  76,  77,
 &end
#
#   5 ILE  QD1    45 VAL  HB      7.00                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 656, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr1=  75,  76,  77,
 &end
#
#   5 ILE  QD1    45 VAL  QQG     8.96                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 655, r1= 1.30, r2= 1.80, r3=10.76, r4=11.26,
 igr1=  75,  76,  77,
 &end
#
#   5 ILE  QD1    47 TYR  QD      9.00                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=12.13, r4=12.63,
 igr1=  75,  76,  77,
 igr2= 687, 696,
 &end
#
#   5 ILE  QD1    47 TYR  QE      9.00                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=12.13, r4=12.63,
 igr1=  75,  76,  77,
 igr2= 689, 694,
 &end
#
#   6 ASN  HN      7 LEU  QB      5.98                
 &rst
  ixpk= 0, nxpk= 0, iat=  81,  -1, r1= 1.30, r2= 1.80, r3= 6.71, r4= 7.21,
 igr2=  99, 100,
 &end
#
#   6 ASN  HN      7 LEU  QQD     8.57                
 &rst
  ixpk= 0, nxpk= 0, iat=  81, 101, r1= 1.30, r2= 1.80, r3= 8.57, r4= 9.07,  &end
#
#   6 ASN  HA      6 ASN  HD21    5.30                
 &rst
  ixpk= 0, nxpk= 0, iat=  83,  90, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,  &end
#
#   6 ASN  HA      6 ASN  HD22    5.30                
 &rst
  ixpk= 0, nxpk= 0, iat=  83,  91, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,  &end
#
#   6 ASN  HA      6 ASN  QD2     4.98                
 &rst
  ixpk= 0, nxpk= 0, iat=  83,  -1, r1= 1.30, r2= 1.80, r3= 5.59, r4= 6.09,
 igr2=  90,  91,
 &end
#
#   6 ASN  HA      7 LEU  HN      3.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  83,  95, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,  &end
#
#   6 ASN  HA      7 LEU  HA      5.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  83,  97, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,  &end
#
#   6 ASN  HA      7 LEU  QB      5.88                
 &rst
  ixpk= 0, nxpk= 0, iat=  83,  -1, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,
 igr2=  99, 100,
 &end
#
#   6 ASN  HA      7 LEU  QQD     8.57                
 &rst
  ixpk= 0, nxpk= 0, iat=  83, 101, r1= 1.30, r2= 1.80, r3= 8.57, r4= 9.07,  &end
#
#   6 ASN  HA     42 GLN  QB      6.88                
 &rst
  ixpk= 0, nxpk= 0, iat=  83,  -1, r1= 1.30, r2= 1.80, r3= 7.72, r4= 8.22,
 igr2= 613, 614,
 &end
#
#   6 ASN  HA     43 ALA  HN      5.80                
 &rst
  ixpk= 0, nxpk= 0, iat=  83, 626, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,  &end
#
#   6 ASN  HA     44 VAL  HA      3.70                
 &rst
  ixpk= 0, nxpk= 0, iat=  83, 638, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,  &end
#
#   6 ASN  HA     44 VAL  HB      6.00                
 &rst
  ixpk= 0, nxpk= 0, iat=  83, 640, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   6 ASN  HA     44 VAL  QQG     8.56                
 &rst
  ixpk= 0, nxpk= 0, iat=  83, 639, r1= 1.30, r2= 1.80, r3= 8.56, r4= 9.06,  &end
#
#   6 ASN  HA     45 VAL  HN      4.90                
 &rst
  ixpk= 0, nxpk= 0, iat=  83, 652, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,  &end
#
#   6 ASN  HA     45 VAL  QQG     8.56                
 &rst
  ixpk= 0, nxpk= 0, iat=  83, 655, r1= 1.30, r2= 1.80, r3= 8.56, r4= 9.06,  &end
#
#   6 ASN  HB2     7 LEU  HN      4.70                
 &rst
  ixpk= 0, nxpk= 0, iat=  85,  95, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,  &end
#
#   6 ASN  HB2    44 VAL  HA      5.70                
 &rst
  ixpk= 0, nxpk= 0, iat=  85, 638, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,  &end
#
#   6 ASN  HB2    44 VAL  HB      5.10                
 &rst
  ixpk= 0, nxpk= 0, iat=  85, 640, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,  &end
#
#   6 ASN  HB2    44 VAL  QG1     7.00                
 &rst
  ixpk= 0, nxpk= 0, iat=  85,  -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr2= 642, 643, 644,
 &end
#
#   6 ASN  HB2    44 VAL  QG2     7.00                
 &rst
  ixpk= 0, nxpk= 0, iat=  85,  -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr2= 646, 647, 648,
 &end
#
#   6 ASN  HB3     7 LEU  HN      4.70                
 &rst
  ixpk= 0, nxpk= 0, iat=  86,  95, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,  &end
#
#   6 ASN  HB3    44 VAL  HA      5.70                
 &rst
  ixpk= 0, nxpk= 0, iat=  86, 638, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,  &end
#
#   6 ASN  HB3    44 VAL  HB      5.10                
 &rst
  ixpk= 0, nxpk= 0, iat=  86, 640, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,  &end
#
#   6 ASN  HB3    44 VAL  QG1     7.00                
 &rst
  ixpk= 0, nxpk= 0, iat=  86,  -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr2= 642, 643, 644,
 &end
#
#   6 ASN  HB3    44 VAL  QG2     7.00                
 &rst
  ixpk= 0, nxpk= 0, iat=  86,  -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr2= 646, 647, 648,
 &end
#
#   6 ASN  QB      7 LEU  HN      4.32                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  95, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
 igr1=  85,  86,
 &end
#
#   6 ASN  QB     44 VAL  HA      5.24                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 638, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
 igr1=  85,  86,
 &end
#
#   6 ASN  QB     44 VAL  HB      4.87                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 640, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
 igr1=  85,  86,
 &end
#
#   6 ASN  HD21    7 LEU  HB2     7.75                
 &rst
  ixpk= 0, nxpk= 0, iat=  90,  99, r1= 1.30, r2= 1.80, r3= 7.75, r4= 8.25,  &end
#
#   6 ASN  HD21    7 LEU  HB3     7.75                
 &rst
  ixpk= 0, nxpk= 0, iat=  90, 100, r1= 1.30, r2= 1.80, r3= 7.75, r4= 8.25,  &end
#
#   6 ASN  HD21   44 VAL  QG1    10.12                
 &rst
  ixpk= 0, nxpk= 0, iat=  90,  -1, r1= 1.30, r2= 1.80, r3=12.15, r4=12.65,
 igr2= 642, 643, 644,
 &end
#
#   6 ASN  HD21   44 VAL  QG2    10.12                
 &rst
  ixpk= 0, nxpk= 0, iat=  90,  -1, r1= 1.30, r2= 1.80, r3=12.15, r4=12.65,
 igr2= 646, 647, 648,
 &end
#
#   6 ASN  HD22    7 LEU  HB2     7.75                
 &rst
  ixpk= 0, nxpk= 0, iat=  91,  99, r1= 1.30, r2= 1.80, r3= 7.75, r4= 8.25,  &end
#
#   6 ASN  HD22    7 LEU  HB3     7.75                
 &rst
  ixpk= 0, nxpk= 0, iat=  91, 100, r1= 1.30, r2= 1.80, r3= 7.75, r4= 8.25,  &end
#
#   6 ASN  HD22   44 VAL  QG1    10.12                
 &rst
  ixpk= 0, nxpk= 0, iat=  91,  -1, r1= 1.30, r2= 1.80, r3=12.15, r4=12.65,
 igr2= 642, 643, 644,
 &end
#
#   6 ASN  HD22   44 VAL  QG2    10.12                
 &rst
  ixpk= 0, nxpk= 0, iat=  91,  -1, r1= 1.30, r2= 1.80, r3=12.15, r4=12.65,
 igr2= 646, 647, 648,
 &end
#
#   6 ASN  QD2     7 LEU  QB      6.82                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.59, r4= 9.09,
 igr1=  90,  91,
 igr2=  99, 100,
 &end
#
#   6 ASN  QD2     7 LEU  QQD     9.14                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 101, r1= 1.30, r2= 1.80, r3=10.26, r4=10.76,
 igr1=  90,  91,
 &end
#
#   6 ASN  QD2    44 VAL  HB      6.87                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 640, r1= 1.30, r2= 1.80, r3= 7.71, r4= 8.21,
 igr1=  90,  91,
 &end
#
#   6 ASN  QD2    44 VAL  QQG     7.94                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 639, r1= 1.30, r2= 1.80, r3= 8.91, r4= 9.41,
 igr1=  90,  91,
 &end
#
#   7 LEU  HN      7 LEU  HB2     4.00                
 &rst
  ixpk= 0, nxpk= 0, iat=  95,  99, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   7 LEU  HN      7 LEU  HB3     4.00                
 &rst
  ixpk= 0, nxpk= 0, iat=  95, 100, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   7 LEU  HN      7 LEU  QB      3.70                
 &rst
  ixpk= 0, nxpk= 0, iat=  95,  -1, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65,
 igr2=  99, 100,
 &end
#
#   7 LEU  HN      7 LEU  HG      4.80                
 &rst
  ixpk= 0, nxpk= 0, iat=  95, 102, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,  &end
#
#   7 LEU  HN      7 LEU  QD1     5.40                
 &rst
  ixpk= 0, nxpk= 0, iat=  95,  -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
 igr2= 104, 105, 106,
 &end
#
#   7 LEU  HN      7 LEU  QD2     5.40                
 &rst
  ixpk= 0, nxpk= 0, iat=  95,  -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
 igr2= 108, 109, 110,
 &end
#
#   7 LEU  HN      7 LEU  QQD     4.96                
 &rst
  ixpk= 0, nxpk= 0, iat=  95, 101, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,  &end
#
#   7 LEU  HN      8 GLN  HN      4.70                
 &rst
  ixpk= 0, nxpk= 0, iat=  95, 114, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,  &end
#
#   7 LEU  HN      8 GLN  HA      5.30                
 &rst
  ixpk= 0, nxpk= 0, iat=  95, 116, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,  &end
#
#   7 LEU  HN     42 GLN  HA      6.00                
 &rst
  ixpk= 0, nxpk= 0, iat=  95, 611, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   7 LEU  HN     43 ALA  HN      4.80                
 &rst
  ixpk= 0, nxpk= 0, iat=  95, 626, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,  &end
#
#   7 LEU  HN     43 ALA  QB      7.00                
 &rst
  ixpk= 0, nxpk= 0, iat=  95,  -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr2= 630, 631, 632,
 &end
#
#   7 LEU  HN     44 VAL  HA      5.90                
 &rst
  ixpk= 0, nxpk= 0, iat=  95, 638, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,  &end
#
#   7 LEU  HN     44 VAL  QQG     8.56                
 &rst
  ixpk= 0, nxpk= 0, iat=  95, 639, r1= 1.30, r2= 1.80, r3= 8.56, r4= 9.06,  &end
#
#   7 LEU  HA      7 LEU  HG      4.00                
 &rst
  ixpk= 0, nxpk= 0, iat=  97, 102, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   7 LEU  HA      7 LEU  QD1     5.20                
 &rst
  ixpk= 0, nxpk= 0, iat=  97,  -1, r1= 1.30, r2= 1.80, r3= 6.24, r4= 6.74,
 igr2= 104, 105, 106,
 &end
#
#   7 LEU  HA      7 LEU  QD2     5.20                
 &rst
  ixpk= 0, nxpk= 0, iat=  97,  -1, r1= 1.30, r2= 1.80, r3= 6.24, r4= 6.74,
 igr2= 108, 109, 110,
 &end
#
#   7 LEU  HA      8 GLN  HN      3.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  97, 114, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,  &end
#
#   7 LEU  HA      8 GLN  QB      6.78                
 &rst
  ixpk= 0, nxpk= 0, iat=  97,  -1, r1= 1.30, r2= 1.80, r3= 7.61, r4= 8.11,
 igr2= 118, 119,
 &end
#
#   7 LEU  HA     42 GLN  HB2     6.00                
 &rst
  ixpk= 0, nxpk= 0, iat=  97, 613, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   7 LEU  HA     42 GLN  HB3     6.00                
 &rst
  ixpk= 0, nxpk= 0, iat=  97, 614, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   7 LEU  HA     43 ALA  HN      4.90                
 &rst
  ixpk= 0, nxpk= 0, iat=  97, 626, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,  &end
#
#   7 LEU  HA     69 VAL  HA      4.50                
 &rst
  ixpk= 0, nxpk= 0, iat=  97,1019, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   7 LEU  HA     70 LEU  HN      3.50                
 &rst
  ixpk= 0, nxpk= 0, iat=  97,1033, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   7 LEU  HB2     8 GLN  HN      4.40                
 &rst
  ixpk= 0, nxpk= 0, iat=  99, 114, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,  &end
#
#   7 LEU  HB2    43 ALA  HN      6.00                
 &rst
  ixpk= 0, nxpk= 0, iat=  99, 626, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   7 LEU  HB3     8 GLN  HN      4.40                
 &rst
  ixpk= 0, nxpk= 0, iat= 100, 114, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,  &end
#
#   7 LEU  HB3    43 ALA  HN      6.00                
 &rst
  ixpk= 0, nxpk= 0, iat= 100, 626, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   7 LEU  QB      8 GLN  HN      4.21                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 114, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,
 igr1=  99, 100,
 &end
#
#   7 LEU  QB      8 GLN  QE2     7.74                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.75, r4=10.25,
 igr1=  99, 100,
 igr2= 126, 127,
 &end
#
#   7 LEU  QB     68 ARG  HN      6.88                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 993, r1= 1.30, r2= 1.80, r3= 7.72, r4= 8.22,
 igr1=  99, 100,
 &end
#
#   7 LEU  QB     70 LEU  HN      6.88                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1033, r1= 1.30, r2= 1.80, r3= 7.72, r4= 8.22,
 igr1=  99, 100,
 &end
#
#   7 LEU  HG      8 GLN  HN      6.00                
 &rst
  ixpk= 0, nxpk= 0, iat= 102, 114, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   7 LEU  HG      8 GLN  HA      6.00                
 &rst
  ixpk= 0, nxpk= 0, iat= 102, 116, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   7 LEU  HG      9 LEU  HN      6.00                
 &rst
  ixpk= 0, nxpk= 0, iat= 102, 131, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   7 LEU  HG      9 LEU  HA      4.20                
 &rst
  ixpk= 0, nxpk= 0, iat= 102, 133, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,  &end
#
#   7 LEU  HG     42 GLN  QB      6.88                
 &rst
  ixpk= 0, nxpk= 0, iat= 102,  -1, r1= 1.30, r2= 1.80, r3= 7.72, r4= 8.22,
 igr2= 613, 614,
 &end
#
#   7 LEU  HG     43 ALA  HN      5.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 102, 626, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,  &end
#
#   7 LEU  HG     43 ALA  QB      6.40                
 &rst
  ixpk= 0, nxpk= 0, iat= 102,  -1, r1= 1.30, r2= 1.80, r3= 7.69, r4= 8.19,
 igr2= 630, 631, 632,
 &end
#
#   7 LEU  HG     60 VAL  QQG     8.56                
 &rst
  ixpk= 0, nxpk= 0, iat= 102, 875, r1= 1.30, r2= 1.80, r3= 8.56, r4= 9.06,  &end
#
#   7 LEU  HG     67 ALA  HA      6.00                
 &rst
  ixpk= 0, nxpk= 0, iat= 102, 985, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   7 LEU  HG     68 ARG  HN      5.50                
 &rst
  ixpk= 0, nxpk= 0, iat= 102, 993, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   7 LEU  HG     69 VAL  HN      6.00                
 &rst
  ixpk= 0, nxpk= 0, iat= 102,1017, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   7 LEU  HG     70 LEU  HN      6.00                
 &rst
  ixpk= 0, nxpk= 0, iat= 102,1033, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   7 LEU  QD1     8 GLN  HN      7.00                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 114, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr1= 104, 105, 106,
 &end
#
#   7 LEU  QD1    56 LEU  QD1    11.14                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=16.07, r4=16.57,
 igr1= 104, 105, 106,
 igr2= 826, 827, 828,
 &end
#
#   7 LEU  QD1    56 LEU  QD2    11.14                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=16.07, r4=16.57,
 igr1= 104, 105, 106,
 igr2= 830, 831, 832,
 &end
#
#   7 LEU  QD1    68 ARG  HN      7.00                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 993, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr1= 104, 105, 106,
 &end
#
#   7 LEU  QD2     8 GLN  HN      7.00                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 114, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr1= 108, 109, 110,
 &end
#
#   7 LEU  QD2    56 LEU  QD1    11.14                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=16.07, r4=16.57,
 igr1= 108, 109, 110,
 igr2= 826, 827, 828,
 &end
#
#   7 LEU  QD2    56 LEU  QD2    11.14                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=16.07, r4=16.57,
 igr1= 108, 109, 110,
 igr2= 830, 831, 832,
 &end
#
#   7 LEU  QD2    68 ARG  HN      7.00                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 993, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr1= 108, 109, 110,
 &end
#
#   7 LEU  QQD     8 GLN  QE2     9.44                
 &rst
  ixpk= 0, nxpk= 0, iat= 101,  -1, r1= 1.30, r2= 1.80, r3=10.60, r4=11.10,
 igr2= 126, 127,
 &end
#
#   7 LEU  QQD    43 ALA  HN      8.57                
 &rst
  ixpk= 0, nxpk= 0, iat= 101, 626, r1= 1.30, r2= 1.80, r3= 8.57, r4= 9.07,  &end
#
#   7 LEU  QQD    43 ALA  QB      9.47                
 &rst
  ixpk= 0, nxpk= 0, iat= 101,  -1, r1= 1.30, r2= 1.80, r3=11.37, r4=11.87,
 igr2= 630, 631, 632,
 &end
#
#   7 LEU  QQD    56 LEU  QB      9.57                
 &rst
  ixpk= 0, nxpk= 0, iat= 101,  -1, r1= 1.30, r2= 1.80, r3=10.74, r4=11.24,
 igr2= 821, 822,
 &end
#
#   7 LEU  QQD    56 LEU  QQD     9.44                
 &rst
  ixpk= 0, nxpk= 0, iat= 101, 823, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,  &end
#
#   7 LEU  QQD    67 ALA  HA      8.57                
 &rst
  ixpk= 0, nxpk= 0, iat= 101, 985, r1= 1.30, r2= 1.80, r3= 8.57, r4= 9.07,  &end
#
#   7 LEU  QQD    67 ALA  QB      9.57                
 &rst
  ixpk= 0, nxpk= 0, iat= 101,  -1, r1= 1.30, r2= 1.80, r3=11.49, r4=11.99,
 igr2= 987, 988, 989,
 &end
#
#   7 LEU  QQD    69 VAL  HN      8.57                
 &rst
  ixpk= 0, nxpk= 0, iat= 101,1017, r1= 1.30, r2= 1.80, r3= 8.57, r4= 9.07,  &end
#
#   7 LEU  QQD    69 VAL  HA      7.87                
 &rst
  ixpk= 0, nxpk= 0, iat= 101,1019, r1= 1.30, r2= 1.80, r3= 7.87, r4= 8.37,  &end
#
#   7 LEU  QQD    70 LEU  HN      8.57                
 &rst
  ixpk= 0, nxpk= 0, iat= 101,1033, r1= 1.30, r2= 1.80, r3= 8.57, r4= 9.07,  &end
#
#   8 GLN  HN      8 GLN  HG2     5.20                
 &rst
  ixpk= 0, nxpk= 0, iat= 114, 121, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,  &end
#
#   8 GLN  HN      8 GLN  HG3     5.20                
 &rst
  ixpk= 0, nxpk= 0, iat= 114, 122, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,  &end
#
#   8 GLN  HN     42 GLN  HA      5.50                
 &rst
  ixpk= 0, nxpk= 0, iat= 114, 611, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   8 GLN  HN     42 GLN  HB2     6.00                
 &rst
  ixpk= 0, nxpk= 0, iat= 114, 613, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   8 GLN  HN     42 GLN  HB3     6.00                
 &rst
  ixpk= 0, nxpk= 0, iat= 114, 614, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   8 GLN  HN     43 ALA  HN      4.70                
 &rst
  ixpk= 0, nxpk= 0, iat= 114, 626, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,  &end
#
#   8 GLN  HN     67 ALA  QB      7.00                
 &rst
  ixpk= 0, nxpk= 0, iat= 114,  -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr2= 987, 988, 989,
 &end
#
#   8 GLN  HN     68 ARG  HN      4.40                
 &rst
  ixpk= 0, nxpk= 0, iat= 114, 993, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,  &end
#
#   8 GLN  HN     68 ARG  HB2     6.00                
 &rst
  ixpk= 0, nxpk= 0, iat= 114, 997, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   8 GLN  HN     68 ARG  HB3     6.00                
 &rst
  ixpk= 0, nxpk= 0, iat= 114, 998, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   8 GLN  HN     68 ARG  HG2     5.20                
 &rst
  ixpk= 0, nxpk= 0, iat= 114,1000, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,  &end
#
#   8 GLN  HN     68 ARG  HG3     5.20                
 &rst
  ixpk= 0, nxpk= 0, iat= 114,1001, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,  &end
#
#   8 GLN  HN     68 ARG  QG      5.03                
 &rst
  ixpk= 0, nxpk= 0, iat= 114,  -1, r1= 1.30, r2= 1.80, r3= 5.65, r4= 6.15,
 igr2=1000,1001,
 &end
#
#   8 GLN  HN     69 VAL  HN      5.40                
 &rst
  ixpk= 0, nxpk= 0, iat= 114,1017, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,  &end
#
#   8 GLN  HN     69 VAL  HA      5.30                
 &rst
  ixpk= 0, nxpk= 0, iat= 114,1019, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,  &end
#
#   8 GLN  HN     70 LEU  HN      5.30                
 &rst
  ixpk= 0, nxpk= 0, iat= 114,1033, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,  &end
#
#   8 GLN  HA      8 GLN  HE21    6.00                
 &rst
  ixpk= 0, nxpk= 0, iat= 116, 126, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   8 GLN  HA      8 GLN  HE22    6.00                
 &rst
  ixpk= 0, nxpk= 0, iat= 116, 127, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   8 GLN  HA      8 GLN  QE2     5.59                
 &rst
  ixpk= 0, nxpk= 0, iat= 116,  -1, r1= 1.30, r2= 1.80, r3= 6.27, r4= 6.77,
 igr2= 126, 127,
 &end
#
#   8 GLN  HA      9 LEU  HA      5.10                
 &rst
  ixpk= 0, nxpk= 0, iat= 116, 133, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,  &end
#
#   8 GLN  HA     42 GLN  HA      4.40                
 &rst
  ixpk= 0, nxpk= 0, iat= 116, 611, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,  &end
#
#   8 GLN  HA     42 GLN  QB      6.18                
 &rst
  ixpk= 0, nxpk= 0, iat= 116,  -1, r1= 1.30, r2= 1.80, r3= 6.94, r4= 7.44,
 igr2= 613, 614,
 &end
#
#   8 GLN  HA     68 ARG  QB      6.08                
 &rst
  ixpk= 0, nxpk= 0, iat= 116,  -1, r1= 1.30, r2= 1.80, r3= 6.82, r4= 7.32,
 igr2= 997, 998,
 &end
#
#   8 GLN  HA     68 ARG  HG2     5.00                
 &rst
  ixpk= 0, nxpk= 0, iat= 116,1000, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   8 GLN  HA     68 ARG  HG3     5.00                
 &rst
  ixpk= 0, nxpk= 0, iat= 116,1001, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   8 GLN  HA     68 ARG  QG      4.77                
 &rst
  ixpk= 0, nxpk= 0, iat= 116,  -1, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85,
 igr2=1000,1001,
 &end
#
#   8 GLN  HB2     8 GLN  HE21    7.05                
 &rst
  ixpk= 0, nxpk= 0, iat= 118, 126, r1= 1.30, r2= 1.80, r3= 7.05, r4= 7.55,  &end
#
#   8 GLN  HB2     8 GLN  HE22    7.05                
 &rst
  ixpk= 0, nxpk= 0, iat= 118, 127, r1= 1.30, r2= 1.80, r3= 7.05, r4= 7.55,  &end
#
#   8 GLN  HB2     9 LEU  HN      5.70                
 &rst
  ixpk= 0, nxpk= 0, iat= 118, 131, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,  &end
#
#   8 GLN  HB2     9 LEU  HA      6.00                
 &rst
  ixpk= 0, nxpk= 0, iat= 118, 133, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   8 GLN  HB2    68 ARG  HN      6.00                
 &rst
  ixpk= 0, nxpk= 0, iat= 118, 993, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   8 GLN  HB2    68 ARG  HG2     5.30                
 &rst
  ixpk= 0, nxpk= 0, iat= 118,1000, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,  &end
#
#   8 GLN  HB2    68 ARG  HG3     5.30                
 &rst
  ixpk= 0, nxpk= 0, iat= 118,1001, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,  &end
#
#   8 GLN  HB3     8 GLN  HE21    7.05                
 &rst
  ixpk= 0, nxpk= 0, iat= 119, 126, r1= 1.30, r2= 1.80, r3= 7.05, r4= 7.55,  &end
#
#   8 GLN  HB3     8 GLN  HE22    7.05                
 &rst
  ixpk= 0, nxpk= 0, iat= 119, 127, r1= 1.30, r2= 1.80, r3= 7.05, r4= 7.55,  &end
#
#   8 GLN  HB3     9 LEU  HN      5.70                
 &rst
  ixpk= 0, nxpk= 0, iat= 119, 131, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,  &end
#
#   8 GLN  HB3     9 LEU  HA      6.00                
 &rst
  ixpk= 0, nxpk= 0, iat= 119, 133, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   8 GLN  HB3    68 ARG  HN      6.00                
 &rst
  ixpk= 0, nxpk= 0, iat= 119, 993, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   8 GLN  HB3    68 ARG  HG2     5.30                
 &rst
  ixpk= 0, nxpk= 0, iat= 119,1000, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,  &end
#
#   8 GLN  HB3    68 ARG  HG3     5.30                
 &rst
  ixpk= 0, nxpk= 0, iat= 119,1001, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,  &end
#
#   8 GLN  QB     42 GLN  HA      6.88                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 611, r1= 1.30, r2= 1.80, r3= 7.72, r4= 8.22,
 igr1= 118, 119,
 &end
#
#   8 GLN  QB     68 ARG  HN      5.55                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 993, r1= 1.30, r2= 1.80, r3= 6.23, r4= 6.73,
 igr1= 118, 119,
 &end
#
#   8 GLN  QB     68 ARG  QG      4.58                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.77, r4= 6.27,
 igr1= 118, 119,
 igr2=1000,1001,
 &end
#
#   8 GLN  QB     68 ARG  QD      7.88                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.93, r4=10.43,
 igr1= 118, 119,
 igr2=1003,1004,
 &end
#
#   8 GLN  HG2     9 LEU  HN      5.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 121, 131, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,  &end
#
#   8 GLN  HG2    42 GLN  HA      3.20                
 &rst
  ixpk= 0, nxpk= 0, iat= 121, 611, r1= 1.30, r2= 1.80, r3= 3.20, r4= 3.70,  &end
#
#   8 GLN  HG2    42 GLN  HB2     6.05                
 &rst
  ixpk= 0, nxpk= 0, iat= 121, 613, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#   8 GLN  HG2    42 GLN  HB3     6.05                
 &rst
  ixpk= 0, nxpk= 0, iat= 121, 614, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#   8 GLN  HG2    69 VAL  QG1    10.12                
 &rst
  ixpk= 0, nxpk= 0, iat= 121,  -1, r1= 1.30, r2= 1.80, r3=12.15, r4=12.65,
 igr2=1023,1024,1025,
 &end
#
#   8 GLN  HG2    69 VAL  QG2    10.12                
 &rst
  ixpk= 0, nxpk= 0, iat= 121,  -1, r1= 1.30, r2= 1.80, r3=12.15, r4=12.65,
 igr2=1027,1028,1029,
 &end
#
#   8 GLN  HG3     9 LEU  HN      5.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 122, 131, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,  &end
#
#   8 GLN  HG3    42 GLN  HA      3.20                
 &rst
  ixpk= 0, nxpk= 0, iat= 122, 611, r1= 1.30, r2= 1.80, r3= 3.20, r4= 3.70,  &end
#
#   8 GLN  HG3    42 GLN  HB2     6.05                
 &rst
  ixpk= 0, nxpk= 0, iat= 122, 613, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#   8 GLN  HG3    42 GLN  HB3     6.05                
 &rst
  ixpk= 0, nxpk= 0, iat= 122, 614, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#   8 GLN  HG3    69 VAL  QG1    10.12                
 &rst
  ixpk= 0, nxpk= 0, iat= 122,  -1, r1= 1.30, r2= 1.80, r3=12.15, r4=12.65,
 igr2=1023,1024,1025,
 &end
#
#   8 GLN  HG3    69 VAL  QG2    10.12                
 &rst
  ixpk= 0, nxpk= 0, iat= 122,  -1, r1= 1.30, r2= 1.80, r3=12.15, r4=12.65,
 igr2=1027,1028,1029,
 &end
#
#   8 GLN  QG     42 GLN  QB      4.90                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 121, 122,
 igr2= 613, 614,
 &end
#
#   8 GLN  QG     68 ARG  HN      6.88                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 993, r1= 1.30, r2= 1.80, r3= 7.72, r4= 8.22,
 igr1= 121, 122,
 &end
#
#   8 GLN  QG     68 ARG  QG      6.15                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.75, r4= 8.25,
 igr1= 121, 122,
 igr2=1000,1001,
 &end
#
#   8 GLN  QG     69 VAL  QQG     8.52                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1020, r1= 1.30, r2= 1.80, r3= 9.56, r4=10.06,
 igr1= 121, 122,
 &end
#
#   8 GLN  HE21    9 LEU  HN      6.00                
 &rst
  ixpk= 0, nxpk= 0, iat= 126, 131, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   8 GLN  HE21   68 ARG  HG2     7.45                
 &rst
  ixpk= 0, nxpk= 0, iat= 126,1000, r1= 1.30, r2= 1.80, r3= 7.45, r4= 7.95,  &end
#
#   8 GLN  HE21   68 ARG  HG3     7.45                
 &rst
  ixpk= 0, nxpk= 0, iat= 126,1001, r1= 1.30, r2= 1.80, r3= 7.45, r4= 7.95,  &end
#
#   8 GLN  HE22    9 LEU  HN      6.00                
 &rst
  ixpk= 0, nxpk= 0, iat= 127, 131, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   8 GLN  HE22   68 ARG  HG2     7.45                
 &rst
  ixpk= 0, nxpk= 0, iat= 127,1000, r1= 1.30, r2= 1.80, r3= 7.45, r4= 7.95,  &end
#
#   8 GLN  HE22   68 ARG  HG3     7.45                
 &rst
  ixpk= 0, nxpk= 0, iat= 127,1001, r1= 1.30, r2= 1.80, r3= 7.45, r4= 7.95,  &end
#
#   8 GLN  QE2    40 LEU  HG      6.87                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 582, r1= 1.30, r2= 1.80, r3= 7.71, r4= 8.21,
 igr1= 126, 127,
 &end
#
#   8 GLN  QE2    42 GLN  QB      7.74                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.75, r4=10.25,
 igr1= 126, 127,
 igr2= 613, 614,
 &end
#
#   8 GLN  QE2    68 ARG  QB      7.74                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.75, r4=10.25,
 igr1= 126, 127,
 igr2= 997, 998,
 &end
#
#   8 GLN  QE2    68 ARG  QG      6.58                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.29, r4= 8.79,
 igr1= 126, 127,
 igr2=1000,1001,
 &end
#
#   9 LEU  HN      9 LEU  HB2     4.10                
 &rst
  ixpk= 0, nxpk= 0, iat= 131, 135, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,  &end
#
#   9 LEU  HN      9 LEU  HB3     4.10                
 &rst
  ixpk= 0, nxpk= 0, iat= 131, 136, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,  &end
#
#   9 LEU  HN      9 LEU  HG      6.00                
 &rst
  ixpk= 0, nxpk= 0, iat= 131, 138, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   9 LEU  HN      9 LEU  QD1     5.40                
 &rst
  ixpk= 0, nxpk= 0, iat= 131,  -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
 igr2= 140, 141, 142,
 &end
#
#   9 LEU  HN      9 LEU  QD2     5.40                
 &rst
  ixpk= 0, nxpk= 0, iat= 131,  -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
 igr2= 144, 145, 146,
 &end
#
#   9 LEU  HN      9 LEU  QQD     4.81                
 &rst
  ixpk= 0, nxpk= 0, iat= 131, 137, r1= 1.30, r2= 1.80, r3= 4.81, r4= 5.31,  &end
#
#   9 LEU  HN     10 GLU  HA      6.00                
 &rst
  ixpk= 0, nxpk= 0, iat= 131, 152, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   9 LEU  HN     41 GLU  HA      5.90                
 &rst
  ixpk= 0, nxpk= 0, iat= 131, 596, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,  &end
#
#   9 LEU  HN     42 GLN  HA      4.70                
 &rst
  ixpk= 0, nxpk= 0, iat= 131, 611, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,  &end
#
#   9 LEU  HN     42 GLN  QB      6.88                
 &rst
  ixpk= 0, nxpk= 0, iat= 131,  -1, r1= 1.30, r2= 1.80, r3= 7.72, r4= 8.22,
 igr2= 613, 614,
 &end
#
#   9 LEU  HN     42 GLN  QG      6.88                
 &rst
  ixpk= 0, nxpk= 0, iat= 131,  -1, r1= 1.30, r2= 1.80, r3= 7.72, r4= 8.22,
 igr2= 616, 617,
 &end
#
#   9 LEU  HA      9 LEU  HG      2.80                
 &rst
  ixpk= 0, nxpk= 0, iat= 133, 138, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   9 LEU  HA      9 LEU  QD1     5.40                
 &rst
  ixpk= 0, nxpk= 0, iat= 133,  -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
 igr2= 140, 141, 142,
 &end
#
#   9 LEU  HA      9 LEU  QD2     5.40                
 &rst
  ixpk= 0, nxpk= 0, iat= 133,  -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
 igr2= 144, 145, 146,
 &end
#
#   9 LEU  HA     10 GLU  HB2     6.00                
 &rst
  ixpk= 0, nxpk= 0, iat= 133, 154, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   9 LEU  HA     10 GLU  HB3     6.00                
 &rst
  ixpk= 0, nxpk= 0, iat= 133, 155, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   9 LEU  HA     67 ALA  HN      5.40                
 &rst
  ixpk= 0, nxpk= 0, iat= 133, 983, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,  &end
#
#   9 LEU  HA     67 ALA  HA      4.40                
 &rst
  ixpk= 0, nxpk= 0, iat= 133, 985, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,  &end
#
#   9 LEU  HA     67 ALA  QB      7.00                
 &rst
  ixpk= 0, nxpk= 0, iat= 133,  -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr2= 987, 988, 989,
 &end
#
#   9 LEU  HA     68 ARG  HN      5.10                
 &rst
  ixpk= 0, nxpk= 0, iat= 133, 993, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,  &end
#
#   9 LEU  HA     68 ARG  QG      6.28                
 &rst
  ixpk= 0, nxpk= 0, iat= 133,  -1, r1= 1.30, r2= 1.80, r3= 7.05, r4= 7.55,
 igr2=1000,1001,
 &end
#
#   9 LEU  HB2    10 GLU  HN      5.50                
 &rst
  ixpk= 0, nxpk= 0, iat= 135, 150, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   9 LEU  HB2    67 ALA  HA      6.00                
 &rst
  ixpk= 0, nxpk= 0, iat= 135, 985, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   9 LEU  HB3    10 GLU  HN      5.50                
 &rst
  ixpk= 0, nxpk= 0, iat= 136, 150, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   9 LEU  HB3    67 ALA  HA      6.00                
 &rst
  ixpk= 0, nxpk= 0, iat= 136, 985, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   9 LEU  QB     41 GLU  QB      7.88                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.93, r4=10.43,
 igr1= 135, 136,
 igr2= 598, 599,
 &end
#
#   9 LEU  QB     42 GLN  HA      5.48                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 611, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65,
 igr1= 135, 136,
 &end
#
#   9 LEU  QB     43 ALA  HN      6.48                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 626, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr1= 135, 136,
 &end
#
#   9 LEU  QB     43 ALA  QB      7.18                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.68, r4=10.18,
 igr1= 135, 136,
 igr2= 630, 631, 632,
 &end
#
#   9 LEU  QB     44 VAL  HN      6.88                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 636, r1= 1.30, r2= 1.80, r3= 7.72, r4= 8.22,
 igr1= 135, 136,
 &end
#
#   9 LEU  HG     10 GLU  HN      6.00                
 &rst
  ixpk= 0, nxpk= 0, iat= 138, 150, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   9 LEU  HG     38 PHE  QD      8.00                
 &rst
  ixpk= 0, nxpk= 0, iat= 138,  -1, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
 igr2= 553, 561,
 &end
#
#   9 LEU  HG     38 PHE  QE      8.00                
 &rst
  ixpk= 0, nxpk= 0, iat= 138,  -1, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
 igr2= 555, 559,
 &end
#
#   9 LEU  HG     60 VAL  HB      5.20                
 &rst
  ixpk= 0, nxpk= 0, iat= 138, 876, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,  &end
#
#   9 LEU  HG     67 ALA  HA      4.00                
 &rst
  ixpk= 0, nxpk= 0, iat= 138, 985, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   9 LEU  QD1    10 GLU  HN      7.00                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 150, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr1= 140, 141, 142,
 &end
#
#   9 LEU  QD1    21 ILE  QD1     8.00                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=11.54, r4=12.04,
 igr1= 140, 141, 142,
 igr2= 300, 301, 302,
 &end
#
#   9 LEU  QD1    65 TYR  HB2    10.14                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 948, r1= 1.30, r2= 1.80, r3=12.18, r4=12.68,
 igr1= 140, 141, 142,
 &end
#
#   9 LEU  QD1    65 TYR  HB3    10.14                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 949, r1= 1.30, r2= 1.80, r3=12.18, r4=12.68,
 igr1= 140, 141, 142,
 &end
#
#   9 LEU  QD1    66 HIS+ HN      7.00                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 965, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr1= 140, 141, 142,
 &end
#
#   9 LEU  QD2    10 GLU  HN      7.00                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 150, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr1= 144, 145, 146,
 &end
#
#   9 LEU  QD2    21 ILE  QD1     8.00                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=11.54, r4=12.04,
 igr1= 144, 145, 146,
 igr2= 300, 301, 302,
 &end
#
#   9 LEU  QD2    65 TYR  HB2    10.14                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 948, r1= 1.30, r2= 1.80, r3=12.18, r4=12.68,
 igr1= 144, 145, 146,
 &end
#
#   9 LEU  QD2    65 TYR  HB3    10.14                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 949, r1= 1.30, r2= 1.80, r3=12.18, r4=12.68,
 igr1= 144, 145, 146,
 &end
#
#   9 LEU  QD2    66 HIS+ HN      7.00                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 965, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr1= 144, 145, 146,
 &end
#
#   9 LEU  QQD    18 ALA  HA      8.57                
 &rst
  ixpk= 0, nxpk= 0, iat= 137, 257, r1= 1.30, r2= 1.80, r3= 8.57, r4= 9.07,  &end
#
#   9 LEU  QQD    21 ILE  QD1     7.54                
 &rst
  ixpk= 0, nxpk= 0, iat= 137,  -1, r1= 1.30, r2= 1.80, r3= 9.06, r4= 9.56,
 igr2= 300, 301, 302,
 &end
#
#   9 LEU  QQD    41 GLU  QB      9.57                
 &rst
  ixpk= 0, nxpk= 0, iat= 137,  -1, r1= 1.30, r2= 1.80, r3=10.74, r4=11.24,
 igr2= 598, 599,
 &end
#
#   9 LEU  QQD    60 VAL  QQG    11.13                
 &rst
  ixpk= 0, nxpk= 0, iat= 137, 875, r1= 1.30, r2= 1.80, r3=11.13, r4=11.63,  &end
#
#   9 LEU  QQD    61 GLU  HN      8.57                
 &rst
  ixpk= 0, nxpk= 0, iat= 137, 888, r1= 1.30, r2= 1.80, r3= 8.57, r4= 9.07,  &end
#
#   9 LEU  QQD    65 TYR  QB      8.52                
 &rst
  ixpk= 0, nxpk= 0, iat= 137,  -1, r1= 1.30, r2= 1.80, r3= 9.56, r4=10.06,
 igr2= 948, 949,
 &end
#
#   9 LEU  QQD    67 ALA  HN      8.57                
 &rst
  ixpk= 0, nxpk= 0, iat= 137, 983, r1= 1.30, r2= 1.80, r3= 8.57, r4= 9.07,  &end
#
#   9 LEU  QQD    67 ALA  QB      7.87                
 &rst
  ixpk= 0, nxpk= 0, iat= 137,  -1, r1= 1.30, r2= 1.80, r3= 9.45, r4= 9.95,
 igr2= 987, 988, 989,
 &end
#
#   9 LEU  QQD    68 ARG  HN      8.57                
 &rst
  ixpk= 0, nxpk= 0, iat= 137, 993, r1= 1.30, r2= 1.80, r3= 8.57, r4= 9.07,  &end
#
#  10 GLU  HN     10 GLU  HG2     5.40                
 &rst
  ixpk= 0, nxpk= 0, iat= 150, 157, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,  &end
#
#  10 GLU  HN     10 GLU  HG3     5.40                
 &rst
  ixpk= 0, nxpk= 0, iat= 150, 158, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,  &end
#
#  10 GLU  HN     10 GLU  QG      4.99                
 &rst
  ixpk= 0, nxpk= 0, iat= 150,  -1, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,
 igr2= 157, 158,
 &end
#
#  10 GLU  HN     66 HIS+ HN      4.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 150, 965, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,  &end
#
#  10 GLU  HN     66 HIS+ QB      6.88                
 &rst
  ixpk= 0, nxpk= 0, iat= 150,  -1, r1= 1.30, r2= 1.80, r3= 7.72, r4= 8.22,
 igr2= 969, 970,
 &end
#
#  10 GLU  HN     67 ALA  HA      5.10                
 &rst
  ixpk= 0, nxpk= 0, iat= 150, 985, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,  &end
#
#  10 GLU  HA     10 GLU  QG      4.00                
 &rst
  ixpk= 0, nxpk= 0, iat= 152,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2= 157, 158,
 &end
#
#  10 GLU  HA     11 GLY  HA1     5.10                
 &rst
  ixpk= 0, nxpk= 0, iat= 152, 167, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,  &end
#
#  10 GLU  HA     11 GLY  HA2     5.10                
 &rst
  ixpk= 0, nxpk= 0, iat= 152, 168, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,  &end
#
#  10 GLU  HA     11 GLY  QA      4.54                
 &rst
  ixpk= 0, nxpk= 0, iat= 152,  -1, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
 igr2= 167, 168,
 &end
#
#  10 GLU  HA     65 TYR  QE      8.00                
 &rst
  ixpk= 0, nxpk= 0, iat= 152,  -1, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
 igr2= 954, 959,
 &end
#
#  10 GLU  HB2    11 GLY  HN      5.00                
 &rst
  ixpk= 0, nxpk= 0, iat= 154, 165, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  10 GLU  HB2    66 HIS+ HN      5.30                
 &rst
  ixpk= 0, nxpk= 0, iat= 154, 965, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,  &end
#
#  10 GLU  HB2    66 HIS+ HB2     4.80                
 &rst
  ixpk= 0, nxpk= 0, iat= 154, 969, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,  &end
#
#  10 GLU  HB2    66 HIS+ HB3     4.80                
 &rst
  ixpk= 0, nxpk= 0, iat= 154, 970, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,  &end
#
#  10 GLU  HB3    11 GLY  HN      5.00                
 &rst
  ixpk= 0, nxpk= 0, iat= 155, 165, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  10 GLU  HB3    66 HIS+ HN      5.30                
 &rst
  ixpk= 0, nxpk= 0, iat= 155, 965, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,  &end
#
#  10 GLU  HB3    66 HIS+ HB2     4.80                
 &rst
  ixpk= 0, nxpk= 0, iat= 155, 969, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,  &end
#
#  10 GLU  HB3    66 HIS+ HB3     4.80                
 &rst
  ixpk= 0, nxpk= 0, iat= 155, 970, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,  &end
#
#  10 GLU  QB     60 VAL  QQG     9.44                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 875, r1= 1.30, r2= 1.80, r3=10.60, r4=11.10,
 igr1= 154, 155,
 &end
#
#  10 GLU  QB     65 TYR  QB      7.75                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.76, r4=10.26,
 igr1= 154, 155,
 igr2= 948, 949,
 &end
#
#  10 GLU  QB     66 HIS+ QB      4.48                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.64, r4= 6.14,
 igr1= 154, 155,
 igr2= 969, 970,
 &end
#
#  10 GLU  HG2    11 GLY  HN      6.00                
 &rst
  ixpk= 0, nxpk= 0, iat= 157, 165, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#  10 GLU  HG2    11 GLY  HA1     7.75                
 &rst
  ixpk= 0, nxpk= 0, iat= 157, 167, r1= 1.30, r2= 1.80, r3= 7.75, r4= 8.25,  &end
#
#  10 GLU  HG2    11 GLY  HA2     7.75                
 &rst
  ixpk= 0, nxpk= 0, iat= 157, 168, r1= 1.30, r2= 1.80, r3= 7.75, r4= 8.25,  &end
#
#  10 GLU  HG2    66 HIS+ HB2     7.75                
 &rst
  ixpk= 0, nxpk= 0, iat= 157, 969, r1= 1.30, r2= 1.80, r3= 7.75, r4= 8.25,  &end
#
#  10 GLU  HG2    66 HIS+ HB3     7.75                
 &rst
  ixpk= 0, nxpk= 0, iat= 157, 970, r1= 1.30, r2= 1.80, r3= 7.75, r4= 8.25,  &end
#
#  10 GLU  HG3    11 GLY  HN      6.00                
 &rst
  ixpk= 0, nxpk= 0, iat= 158, 165, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#  10 GLU  HG3    11 GLY  HA1     7.75                
 &rst
  ixpk= 0, nxpk= 0, iat= 158, 167, r1= 1.30, r2= 1.80, r3= 7.75, r4= 8.25,  &end
#
#  10 GLU  HG3    11 GLY  HA2     7.75                
 &rst
  ixpk= 0, nxpk= 0, iat= 158, 168, r1= 1.30, r2= 1.80, r3= 7.75, r4= 8.25,  &end
#
#  10 GLU  HG3    66 HIS+ HB2     7.75                
 &rst
  ixpk= 0, nxpk= 0, iat= 158, 969, r1= 1.30, r2= 1.80, r3= 7.75, r4= 8.25,  &end
#
#  10 GLU  HG3    66 HIS+ HB3     7.75                
 &rst
  ixpk= 0, nxpk= 0, iat= 158, 970, r1= 1.30, r2= 1.80, r3= 7.75, r4= 8.25,  &end
#
#  10 GLU  QG     11 GLY  QA      6.82                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.59, r4= 9.09,
 igr1= 157, 158,
 igr2= 167, 168,
 &end
#
#  10 GLU  QG     66 HIS+ QB      6.82                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.59, r4= 9.09,
 igr1= 157, 158,
 igr2= 969, 970,
 &end
#
#  11 GLY  HN     12 MET  HN      3.30                
 &rst
  ixpk= 0, nxpk= 0, iat= 165, 172, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
#  11 GLY  HA1    65 TYR  QE      8.00                
 &rst
  ixpk= 0, nxpk= 0, iat= 167,  -1, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
 igr2= 954, 959,
 &end
#
#  11 GLY  HA2    65 TYR  QE      8.00                
 &rst
  ixpk= 0, nxpk= 0, iat= 168,  -1, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
 igr2= 954, 959,
 &end
#
#  11 GLY  QA     12 MET  HA      6.28                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 174, r1= 1.30, r2= 1.80, r3= 7.05, r4= 7.55,
 igr1= 167, 168,
 &end
#
#  11 GLY  QA     65 TYR  HA      4.68                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 946, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75,
 igr1= 167, 168,
 &end
#
#  11 GLY  QA     65 TYR  QB      7.75                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.76, r4=10.26,
 igr1= 167, 168,
 igr2= 948, 949,
 &end
#
#  11 GLY  QA     66 HIS+ HN      5.88                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 965, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,
 igr1= 167, 168,
 &end
#
#  12 MET  HN     12 MET  HG2     4.20                
 &rst
  ixpk= 0, nxpk= 0, iat= 172, 179, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,  &end
#
#  12 MET  HN     12 MET  HG3     4.20                
 &rst
  ixpk= 0, nxpk= 0, iat= 172, 180, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,  &end
#
#  12 MET  HN     12 MET  QG      4.01                
 &rst
  ixpk= 0, nxpk= 0, iat= 172,  -1, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,
 igr2= 179, 180,
 &end
#
#  12 MET  HN     21 ILE  QD1     7.00                
 &rst
  ixpk= 0, nxpk= 0, iat= 172,  -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr2= 300, 301, 302,
 &end
#
#  12 MET  HN     60 VAL  QQG     8.56                
 &rst
  ixpk= 0, nxpk= 0, iat= 172, 875, r1= 1.30, r2= 1.80, r3= 8.56, r4= 9.06,  &end
#
#  12 MET  HN     65 TYR  QB      6.88                
 &rst
  ixpk= 0, nxpk= 0, iat= 172,  -1, r1= 1.30, r2= 1.80, r3= 7.72, r4= 8.22,
 igr2= 948, 949,
 &end
#
#  12 MET  HA     17 CYS  QB      7.00                
 &rst
  ixpk= 0, nxpk= 0, iat= 174,  -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr2= 248, 249,
 &end
#
#  12 MET  HA     18 ALA  QB      7.00                
 &rst
  ixpk= 0, nxpk= 0, iat= 174,  -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr2= 259, 260, 261,
 &end
#
#  12 MET  QB     18 ALA  HN      6.88                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 255, r1= 1.30, r2= 1.80, r3= 7.72, r4= 8.22,
 igr1= 176, 177,
 &end
#
#  12 MET  QB     18 ALA  HA      6.88                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 257, r1= 1.30, r2= 1.80, r3= 7.72, r4= 8.22,
 igr1= 176, 177,
 &end
#
#  12 MET  QB     21 ILE  QD1     7.88                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.62, r4=11.12,
 igr1= 176, 177,
 igr2= 300, 301, 302,
 &end
#
#  12 MET  QB     38 PHE  QD      8.88                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=11.19, r4=11.69,
 igr1= 176, 177,
 igr2= 553, 561,
 &end
#
#  12 MET  QB     38 PHE  QE      8.88                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=11.19, r4=11.69,
 igr1= 176, 177,
 igr2= 555, 559,
 &end
#
#  12 MET  QB     65 TYR  QE      8.88                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=11.19, r4=11.69,
 igr1= 176, 177,
 igr2= 954, 959,
 &end
#
#  12 MET  QG     18 ALA  QB      7.88                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.62, r4=11.12,
 igr1= 179, 180,
 igr2= 259, 260, 261,
 &end
#
#  12 MET  QG     21 ILE  QD1     7.88                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.62, r4=11.12,
 igr1= 179, 180,
 igr2= 300, 301, 302,
 &end
#
#  12 MET  QG     65 TYR  QB      6.75                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.50, r4= 9.00,
 igr1= 179, 180,
 igr2= 948, 949,
 &end
#
#  12 MET  QG     65 TYR  QE      8.88                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=11.19, r4=11.69,
 igr1= 179, 180,
 igr2= 954, 959,
 &end
#
#  16 ALA  HN     17 CYS  HN      3.70                
 &rst
  ixpk= 0, nxpk= 0, iat= 234, 244, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,  &end
#
#  16 ALA  QB     17 CYS  HN      4.20                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 244, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1= 238, 239, 240,
 &end
#
#  17 CYS  HN     18 ALA  HN      4.40                
 &rst
  ixpk= 0, nxpk= 0, iat= 244, 255, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,  &end
#
#  17 CYS  HN     19 SER  QB      7.00                
 &rst
  ixpk= 0, nxpk= 0, iat= 244,  -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr2= 269, 270,
 &end
#
#  17 CYS  HN     62 ARG  QD      6.88                
 &rst
  ixpk= 0, nxpk= 0, iat= 244,  -1, r1= 1.30, r2= 1.80, r3= 7.72, r4= 8.22,
 igr2= 913, 914,
 &end
#
#  17 CYS  HA     20 SER  HN      6.00                
 &rst
  ixpk= 0, nxpk= 0, iat= 246, 276, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#  17 CYS  HA     20 SER  QB      3.40                
 &rst
  ixpk= 0, nxpk= 0, iat= 246,  -1, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32,
 igr2= 280, 281,
 &end
#
#  17 CYS  HA     21 ILE  HN      6.00                
 &rst
  ixpk= 0, nxpk= 0, iat= 246, 287, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#  17 CYS  QB     18 ALA  HN      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 255, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 248, 249,
 &end
#
#  17 CYS  QB     20 SER  QB      8.00                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.08, r4=10.58,
 igr1= 248, 249,
 igr2= 280, 281,
 &end
#
#  17 CYS  QB     62 ARG  QG      8.00                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.08, r4=10.58,
 igr1= 248, 249,
 igr2= 910, 911,
 &end
#
#  17 CYS  QB     65 TYR  QB      6.68                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.42, r4= 8.92,
 igr1= 248, 249,
 igr2= 948, 949,
 &end
#
#  18 ALA  HN     19 SER  HN      3.00                
 &rst
  ixpk= 0, nxpk= 0, iat= 255, 265, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  18 ALA  HN     19 SER  HA      5.70                
 &rst
  ixpk= 0, nxpk= 0, iat= 255, 267, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,  &end
#
#  18 ALA  HN     36 VAL  QQG     8.56                
 &rst
  ixpk= 0, nxpk= 0, iat= 255, 518, r1= 1.30, r2= 1.80, r3= 8.56, r4= 9.06,  &end
#
#  18 ALA  HN     62 ARG  QD      6.88                
 &rst
  ixpk= 0, nxpk= 0, iat= 255,  -1, r1= 1.30, r2= 1.80, r3= 7.72, r4= 8.22,
 igr2= 913, 914,
 &end
#
#  18 ALA  HA     21 ILE  HN      4.80                
 &rst
  ixpk= 0, nxpk= 0, iat= 257, 287, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,  &end
#
#  18 ALA  HA     21 ILE  HB      4.50                
 &rst
  ixpk= 0, nxpk= 0, iat= 257, 291, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  18 ALA  HA     21 ILE  QG2     7.00                
 &rst
  ixpk= 0, nxpk= 0, iat= 257,  -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr2= 293, 294, 295,
 &end
#
#  18 ALA  HA     21 ILE  QG1     6.88                
 &rst
  ixpk= 0, nxpk= 0, iat= 257,  -1, r1= 1.30, r2= 1.80, r3= 7.72, r4= 8.22,
 igr2= 297, 298,
 &end
#
#  18 ALA  HA     21 ILE  QD1     7.00                
 &rst
  ixpk= 0, nxpk= 0, iat= 257,  -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr2= 300, 301, 302,
 &end
#
#  18 ALA  HA     22 GLU  HN      5.80                
 &rst
  ixpk= 0, nxpk= 0, iat= 257, 306, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,  &end
#
#  18 ALA  HA     36 VAL  QQG     8.56                
 &rst
  ixpk= 0, nxpk= 0, iat= 257, 518, r1= 1.30, r2= 1.80, r3= 8.56, r4= 9.06,  &end
#
#  18 ALA  QB     19 SER  HN      4.20                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 265, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1= 259, 260, 261,
 &end
#
#  18 ALA  QB     19 SER  HA      5.20                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 267, r1= 1.30, r2= 1.80, r3= 6.24, r4= 6.74,
 igr1= 259, 260, 261,
 &end
#
#  18 ALA  QB     19 SER  QB      8.00                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.78, r4=11.28,
 igr1= 259, 260, 261,
 igr2= 269, 270,
 &end
#
#  18 ALA  QB     36 VAL  HB      6.80                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 519, r1= 1.30, r2= 1.80, r3= 8.17, r4= 8.67,
 igr1= 259, 260, 261,
 &end
#
#  18 ALA  QB     36 VAL  QQG     8.66                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 518, r1= 1.30, r2= 1.80, r3=10.40, r4=10.90,
 igr1= 259, 260, 261,
 &end
#
#  18 ALA  QB     38 PHE  HB2     7.00                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 549, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr1= 259, 260, 261,
 &end
#
#  18 ALA  QB     38 PHE  HB3     7.00                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 550, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr1= 259, 260, 261,
 &end
#
#  18 ALA  QB     38 PHE  QD      9.00                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=12.13, r4=12.63,
 igr1= 259, 260, 261,
 igr2= 553, 561,
 &end
#
#  18 ALA  QB     38 PHE  QE      9.00                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=12.13, r4=12.63,
 igr1= 259, 260, 261,
 igr2= 555, 559,
 &end
#
#  19 SER  HN     20 SER  HN      4.30                
 &rst
  ixpk= 0, nxpk= 0, iat= 265, 276, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,  &end
#
#  19 SER  HN     20 SER  QB      5.30                
 &rst
  ixpk= 0, nxpk= 0, iat= 265,  -1, r1= 1.30, r2= 1.80, r3= 5.95, r4= 6.45,
 igr2= 280, 281,
 &end
#
#  19 SER  HN     36 VAL  QQG     8.56                
 &rst
  ixpk= 0, nxpk= 0, iat= 265, 518, r1= 1.30, r2= 1.80, r3= 8.56, r4= 9.06,  &end
#
#  19 SER  HA     21 ILE  HN      5.40                
 &rst
  ixpk= 0, nxpk= 0, iat= 267, 287, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,  &end
#
#  19 SER  HA     22 GLU  HN      4.80                
 &rst
  ixpk= 0, nxpk= 0, iat= 267, 306, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,  &end
#
#  19 SER  HA     22 GLU  HB2     4.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 267, 310, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,  &end
#
#  19 SER  HA     22 GLU  HB3     4.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 267, 311, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,  &end
#
#  19 SER  HA     22 GLU  QB      4.22                
 &rst
  ixpk= 0, nxpk= 0, iat= 267,  -1, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,
 igr2= 310, 311,
 &end
#
#  19 SER  HA     22 GLU  QG      3.28                
 &rst
  ixpk= 0, nxpk= 0, iat= 267,  -1, r1= 1.30, r2= 1.80, r3= 3.68, r4= 4.18,
 igr2= 313, 314,
 &end
#
#  19 SER  HA     23 ARG  HN      5.40                
 &rst
  ixpk= 0, nxpk= 0, iat= 267, 321, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,  &end
#
#  19 SER  HA     23 ARG  QB      6.88                
 &rst
  ixpk= 0, nxpk= 0, iat= 267,  -1, r1= 1.30, r2= 1.80, r3= 7.72, r4= 8.22,
 igr2= 325, 326,
 &end
#
#  19 SER  HA     36 VAL  QG1     7.00                
 &rst
  ixpk= 0, nxpk= 0, iat= 267,  -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr2= 521, 522, 523,
 &end
#
#  19 SER  HA     36 VAL  QG2     7.00                
 &rst
  ixpk= 0, nxpk= 0, iat= 267,  -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr2= 525, 526, 527,
 &end
#
#  19 SER  QB     20 SER  HA      4.50                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 278, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 269, 270,
 &end
#
#  19 SER  QB     20 SER  QB      7.70                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.70, r4=10.20,
 igr1= 269, 270,
 igr2= 280, 281,
 &end
#
#  19 SER  QB     21 ILE  HN      7.00                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 287, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1= 269, 270,
 &end
#
#  19 SER  QB     36 VAL  QG1     8.00                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.78, r4=11.28,
 igr1= 269, 270,
 igr2= 521, 522, 523,
 &end
#
#  19 SER  QB     36 VAL  QG2     8.00                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.78, r4=11.28,
 igr1= 269, 270,
 igr2= 525, 526, 527,
 &end
#
#  19 SER  QB     63 ALA  QB      8.00                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.78, r4=11.28,
 igr1= 269, 270,
 igr2= 931, 932, 933,
 &end
#
#  20 SER  HN     21 ILE  HN      3.10                
 &rst
  ixpk= 0, nxpk= 0, iat= 276, 287, r1= 1.30, r2= 1.80, r3= 3.10, r4= 3.60,  &end
#
#  20 SER  HN     21 ILE  HB      5.50                
 &rst
  ixpk= 0, nxpk= 0, iat= 276, 291, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  20 SER  HN     21 ILE  QG1     6.88                
 &rst
  ixpk= 0, nxpk= 0, iat= 276,  -1, r1= 1.30, r2= 1.80, r3= 7.72, r4= 8.22,
 igr2= 297, 298,
 &end
#
#  20 SER  HA     22 GLU  HN      5.70                
 &rst
  ixpk= 0, nxpk= 0, iat= 278, 306, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,  &end
#
#  20 SER  HA     23 ARG  HN      4.00                
 &rst
  ixpk= 0, nxpk= 0, iat= 278, 321, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  20 SER  HA     23 ARG  QB      3.88                
 &rst
  ixpk= 0, nxpk= 0, iat= 278,  -1, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86,
 igr2= 325, 326,
 &end
#
#  20 SER  HA     23 ARG  QG      7.00                
 &rst
  ixpk= 0, nxpk= 0, iat= 278,  -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr2= 328, 329,
 &end
#
#  20 SER  HA     24 ALA  HN      6.00                
 &rst
  ixpk= 0, nxpk= 0, iat= 278, 345, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#  20 SER  QB     21 ILE  HB      7.00                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 291, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1= 280, 281,
 &end
#
#  20 SER  QB     21 ILE  QG1     7.88                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.93, r4=10.43,
 igr1= 280, 281,
 igr2= 297, 298,
 &end
#
#  20 SER  QB     23 ARG  QB      7.88                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.93, r4=10.43,
 igr1= 280, 281,
 igr2= 325, 326,
 &end
#
#  21 ILE  HN     21 ILE  HB      3.90                
 &rst
  ixpk= 0, nxpk= 0, iat= 287, 291, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40,  &end
#
#  21 ILE  HN     21 ILE  HG12    4.70                
 &rst
  ixpk= 0, nxpk= 0, iat= 287, 297, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,  &end
#
#  21 ILE  HN     21 ILE  HG13    4.70                
 &rst
  ixpk= 0, nxpk= 0, iat= 287, 298, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,  &end
#
#  21 ILE  HN     21 ILE  QG1     4.32                
 &rst
  ixpk= 0, nxpk= 0, iat= 287,  -1, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
 igr2= 297, 298,
 &end
#
#  21 ILE  HN     21 ILE  QD1     5.10                
 &rst
  ixpk= 0, nxpk= 0, iat= 287,  -1, r1= 1.30, r2= 1.80, r3= 6.12, r4= 6.62,
 igr2= 300, 301, 302,
 &end
#
#  21 ILE  HN     22 GLU  HN      3.80                
 &rst
  ixpk= 0, nxpk= 0, iat= 287, 306, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30,  &end
#
#  21 ILE  HN     22 GLU  QB      6.38                
 &rst
  ixpk= 0, nxpk= 0, iat= 287,  -1, r1= 1.30, r2= 1.80, r3= 7.16, r4= 7.66,
 igr2= 310, 311,
 &end
#
#  21 ILE  HN     36 VAL  QQG     8.56                
 &rst
  ixpk= 0, nxpk= 0, iat= 287, 518, r1= 1.30, r2= 1.80, r3= 8.56, r4= 9.06,  &end
#
#  21 ILE  HA     21 ILE  QG2     3.40                
 &rst
  ixpk= 0, nxpk= 0, iat= 289,  -1, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58,
 igr2= 293, 294, 295,
 &end
#
#  21 ILE  HA     21 ILE  HG12    4.20                
 &rst
  ixpk= 0, nxpk= 0, iat= 289, 297, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,  &end
#
#  21 ILE  HA     21 ILE  HG13    4.20                
 &rst
  ixpk= 0, nxpk= 0, iat= 289, 298, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,  &end
#
#  21 ILE  HA     21 ILE  QG1     3.96                
 &rst
  ixpk= 0, nxpk= 0, iat= 289,  -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
 igr2= 297, 298,
 &end
#
#  21 ILE  HA     21 ILE  QD1     4.70                
 &rst
  ixpk= 0, nxpk= 0, iat= 289,  -1, r1= 1.30, r2= 1.80, r3= 5.64, r4= 6.14,
 igr2= 300, 301, 302,
 &end
#
#  21 ILE  HA     23 ARG  HN      5.10                
 &rst
  ixpk= 0, nxpk= 0, iat= 289, 321, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,  &end
#
#  21 ILE  HA     24 ALA  HN      4.90                
 &rst
  ixpk= 0, nxpk= 0, iat= 289, 345, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,  &end
#
#  21 ILE  HA     24 ALA  QB      4.70                
 &rst
  ixpk= 0, nxpk= 0, iat= 289,  -1, r1= 1.30, r2= 1.80, r3= 5.64, r4= 6.14,
 igr2= 349, 350, 351,
 &end
#
#  21 ILE  HA     25 ILE  HN      6.00                
 &rst
  ixpk= 0, nxpk= 0, iat= 289, 355, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#  21 ILE  HA     25 ILE  QG1     6.58                
 &rst
  ixpk= 0, nxpk= 0, iat= 289,  -1, r1= 1.30, r2= 1.80, r3= 7.39, r4= 7.89,
 igr2= 365, 366,
 &end
#
#  21 ILE  HA     60 VAL  QQG     8.56                
 &rst
  ixpk= 0, nxpk= 0, iat= 289, 875, r1= 1.30, r2= 1.80, r3= 8.56, r4= 9.06,  &end
#
#  21 ILE  HA     63 ALA  QB      6.70                
 &rst
  ixpk= 0, nxpk= 0, iat= 289,  -1, r1= 1.30, r2= 1.80, r3= 8.05, r4= 8.55,
 igr2= 931, 932, 933,
 &end
#
#  21 ILE  HB     22 GLU  HN      3.90                
 &rst
  ixpk= 0, nxpk= 0, iat= 291, 306, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40,  &end
#
#  21 ILE  HB     22 GLU  HA      6.00                
 &rst
  ixpk= 0, nxpk= 0, iat= 291, 308, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#  21 ILE  HB     23 ARG  HN      5.40                
 &rst
  ixpk= 0, nxpk= 0, iat= 291, 321, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,  &end
#
#  21 ILE  HB     36 VAL  QQG     8.56                
 &rst
  ixpk= 0, nxpk= 0, iat= 291, 518, r1= 1.30, r2= 1.80, r3= 8.56, r4= 9.06,  &end
#
#  21 ILE  QG2    22 GLU  HN      6.50                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 306, r1= 1.30, r2= 1.80, r3= 7.81, r4= 8.31,
 igr1= 293, 294, 295,
 &end
#
#  21 ILE  QG2    22 GLU  HA      7.00                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 308, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr1= 293, 294, 295,
 &end
#
#  21 ILE  QG2    24 ALA  HN      7.00                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 345, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr1= 293, 294, 295,
 &end
#
#  21 ILE  QG2    25 ILE  HN      6.10                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 355, r1= 1.30, r2= 1.80, r3= 7.33, r4= 7.83,
 igr1= 293, 294, 295,
 &end
#
#  21 ILE  QG2    25 ILE  HA      7.00                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 357, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr1= 293, 294, 295,
 &end
#
#  21 ILE  QG2    25 ILE  HB      7.00                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 359, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr1= 293, 294, 295,
 &end
#
#  21 ILE  QG2    25 ILE  HG12    6.80                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 365, r1= 1.30, r2= 1.80, r3= 8.17, r4= 8.67,
 igr1= 293, 294, 295,
 &end
#
#  21 ILE  QG2    25 ILE  HG13    6.80                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 366, r1= 1.30, r2= 1.80, r3= 8.17, r4= 8.67,
 igr1= 293, 294, 295,
 &end
#
#  21 ILE  QG2    25 ILE  QD1     8.00                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=11.54, r4=12.04,
 igr1= 293, 294, 295,
 igr2= 368, 369, 370,
 &end
#
#  21 ILE  QG2    26 ALA  HN      7.00                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 374, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr1= 293, 294, 295,
 &end
#
#  21 ILE  QG2    43 ALA  QB      8.00                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=11.54, r4=12.04,
 igr1= 293, 294, 295,
 igr2= 630, 631, 632,
 &end
#
#  21 ILE  QG2    45 VAL  QQG     9.56                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 655, r1= 1.30, r2= 1.80, r3=11.48, r4=11.98,
 igr1= 293, 294, 295,
 &end
#
#  21 ILE  QG2    59 ALA  QB      8.00                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=11.54, r4=12.04,
 igr1= 293, 294, 295,
 igr2= 866, 867, 868,
 &end
#
#  21 ILE  QG2    60 VAL  HA      7.00                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 874, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr1= 293, 294, 295,
 &end
#
#  21 ILE  QG2    60 VAL  HB      7.00                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 876, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr1= 293, 294, 295,
 &end
#
#  21 ILE  HG12   60 VAL  QG1    10.12                
 &rst
  ixpk= 0, nxpk= 0, iat= 297,  -1, r1= 1.30, r2= 1.80, r3=12.15, r4=12.65,
 igr2= 878, 879, 880,
 &end
#
#  21 ILE  HG12   60 VAL  QG2    10.12                
 &rst
  ixpk= 0, nxpk= 0, iat= 297,  -1, r1= 1.30, r2= 1.80, r3=12.15, r4=12.65,
 igr2= 882, 883, 884,
 &end
#
#  21 ILE  HG12   65 TYR  QE      8.00                
 &rst
  ixpk= 0, nxpk= 0, iat= 297,  -1, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
 igr2= 954, 959,
 &end
#
#  21 ILE  HG13   60 VAL  QG1    10.12                
 &rst
  ixpk= 0, nxpk= 0, iat= 298,  -1, r1= 1.30, r2= 1.80, r3=12.15, r4=12.65,
 igr2= 878, 879, 880,
 &end
#
#  21 ILE  HG13   60 VAL  QG2    10.12                
 &rst
  ixpk= 0, nxpk= 0, iat= 298,  -1, r1= 1.30, r2= 1.80, r3=12.15, r4=12.65,
 igr2= 882, 883, 884,
 &end
#
#  21 ILE  HG13   65 TYR  QE      8.00                
 &rst
  ixpk= 0, nxpk= 0, iat= 298,  -1, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
 igr2= 954, 959,
 &end
#
#  21 ILE  QG1    22 GLU  HN      6.58                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 306, r1= 1.30, r2= 1.80, r3= 7.39, r4= 7.89,
 igr1= 297, 298,
 &end
#
#  21 ILE  QG1    60 VAL  QQG     8.52                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 875, r1= 1.30, r2= 1.80, r3= 9.56, r4=10.06,
 igr1= 297, 298,
 &end
#
#  21 ILE  QD1    22 GLU  HN      7.00                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 306, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr1= 300, 301, 302,
 &end
#
#  21 ILE  QD1    65 TYR  HB2     7.00                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 948, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr1= 300, 301, 302,
 &end
#
#  21 ILE  QD1    65 TYR  HB3     7.00                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 949, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr1= 300, 301, 302,
 &end
#
#  21 ILE  QD1    65 TYR  QE      9.00                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=12.13, r4=12.63,
 igr1= 300, 301, 302,
 igr2= 954, 959,
 &end
#
#  21 ILE  QD1    66 HIS+ HN      7.00                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 965, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr1= 300, 301, 302,
 &end
#
#  22 GLU  HN     22 GLU  QB      3.77                
 &rst
  ixpk= 0, nxpk= 0, iat= 306,  -1, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73,
 igr2= 310, 311,
 &end
#
#  22 GLU  HN     22 GLU  HG2     3.90                
 &rst
  ixpk= 0, nxpk= 0, iat= 306, 313, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40,  &end
#
#  22 GLU  HN     22 GLU  HG3     3.90                
 &rst
  ixpk= 0, nxpk= 0, iat= 306, 314, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40,  &end
#
#  22 GLU  HN     22 GLU  QG      3.55                
 &rst
  ixpk= 0, nxpk= 0, iat= 306,  -1, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48,
 igr2= 313, 314,
 &end
#
#  22 GLU  HN     23 ARG  HN      3.80                
 &rst
  ixpk= 0, nxpk= 0, iat= 306, 321, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30,  &end
#
#  22 GLU  HN     23 ARG  HB2     6.00                
 &rst
  ixpk= 0, nxpk= 0, iat= 306, 325, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#  22 GLU  HN     23 ARG  HB3     6.00                
 &rst
  ixpk= 0, nxpk= 0, iat= 306, 326, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#  22 GLU  HN     23 ARG  QB      5.36                
 &rst
  ixpk= 0, nxpk= 0, iat= 306,  -1, r1= 1.30, r2= 1.80, r3= 6.02, r4= 6.52,
 igr2= 325, 326,
 &end
#
#  22 GLU  HN     36 VAL  QQG     7.66                
 &rst
  ixpk= 0, nxpk= 0, iat= 306, 518, r1= 1.30, r2= 1.80, r3= 7.66, r4= 8.16,  &end
#
#  22 GLU  HA     22 GLU  QG      3.51                
 &rst
  ixpk= 0, nxpk= 0, iat= 308,  -1, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44,
 igr2= 313, 314,
 &end
#
#  22 GLU  HA     24 ALA  HN      6.00                
 &rst
  ixpk= 0, nxpk= 0, iat= 308, 345, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#  22 GLU  HA     24 ALA  QB      6.20                
 &rst
  ixpk= 0, nxpk= 0, iat= 308,  -1, r1= 1.30, r2= 1.80, r3= 7.45, r4= 7.95,
 igr2= 349, 350, 351,
 &end
#
#  22 GLU  HA     25 ILE  HN      5.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 308, 355, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,  &end
#
#  22 GLU  HA     25 ILE  HB      4.40                
 &rst
  ixpk= 0, nxpk= 0, iat= 308, 359, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,  &end
#
#  22 GLU  HA     25 ILE  QG2     6.70                
 &rst
  ixpk= 0, nxpk= 0, iat= 308,  -1, r1= 1.30, r2= 1.80, r3= 8.05, r4= 8.55,
 igr2= 361, 362, 363,
 &end
#
#  22 GLU  HA     25 ILE  HG12    6.00                
 &rst
  ixpk= 0, nxpk= 0, iat= 308, 365, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#  22 GLU  HA     25 ILE  HG13    6.00                
 &rst
  ixpk= 0, nxpk= 0, iat= 308, 366, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#  22 GLU  HA     25 ILE  QD1     7.00                
 &rst
  ixpk= 0, nxpk= 0, iat= 308,  -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr2= 368, 369, 370,
 &end
#
#  22 GLU  HA     26 ALA  HN      4.40                
 &rst
  ixpk= 0, nxpk= 0, iat= 308, 374, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,  &end
#
#  22 GLU  HA     34 CYS  QB      6.88                
 &rst
  ixpk= 0, nxpk= 0, iat= 308,  -1, r1= 1.30, r2= 1.80, r3= 7.72, r4= 8.22,
 igr2= 491, 492,
 &end
#
#  22 GLU  HB2    23 ARG  HN      3.80                
 &rst
  ixpk= 0, nxpk= 0, iat= 310, 321, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30,  &end
#
#  22 GLU  HB2    23 ARG  HA      5.00                
 &rst
  ixpk= 0, nxpk= 0, iat= 310, 323, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  22 GLU  HB2    24 ALA  HN      6.00                
 &rst
  ixpk= 0, nxpk= 0, iat= 310, 345, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#  22 GLU  HB2    36 VAL  QG1    10.12                
 &rst
  ixpk= 0, nxpk= 0, iat= 310,  -1, r1= 1.30, r2= 1.80, r3=12.15, r4=12.65,
 igr2= 521, 522, 523,
 &end
#
#  22 GLU  HB2    36 VAL  QG2    10.12                
 &rst
  ixpk= 0, nxpk= 0, iat= 310,  -1, r1= 1.30, r2= 1.80, r3=12.15, r4=12.65,
 igr2= 525, 526, 527,
 &end
#
#  22 GLU  HB3    23 ARG  HN      3.80                
 &rst
  ixpk= 0, nxpk= 0, iat= 311, 321, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30,  &end
#
#  22 GLU  HB3    23 ARG  HA      5.00                
 &rst
  ixpk= 0, nxpk= 0, iat= 311, 323, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  22 GLU  HB3    24 ALA  HN      6.00                
 &rst
  ixpk= 0, nxpk= 0, iat= 311, 345, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#  22 GLU  HB3    36 VAL  QG1    10.12                
 &rst
  ixpk= 0, nxpk= 0, iat= 311,  -1, r1= 1.30, r2= 1.80, r3=12.15, r4=12.65,
 igr2= 521, 522, 523,
 &end
#
#  22 GLU  HB3    36 VAL  QG2    10.12                
 &rst
  ixpk= 0, nxpk= 0, iat= 311,  -1, r1= 1.30, r2= 1.80, r3=12.15, r4=12.65,
 igr2= 525, 526, 527,
 &end
#
#  22 GLU  QB     25 ILE  HN      6.88                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 355, r1= 1.30, r2= 1.80, r3= 7.72, r4= 8.22,
 igr1= 310, 311,
 &end
#
#  22 GLU  QB     26 ALA  HN      6.88                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 374, r1= 1.30, r2= 1.80, r3= 7.72, r4= 8.22,
 igr1= 310, 311,
 &end
#
#  22 GLU  QB     34 CYS  HA      6.88                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 489, r1= 1.30, r2= 1.80, r3= 7.72, r4= 8.22,
 igr1= 310, 311,
 &end
#
#  22 GLU  QB     34 CYS  QB      7.75                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.76, r4=10.26,
 igr1= 310, 311,
 igr2= 491, 492,
 &end
#
#  22 GLU  QB     36 VAL  QQG     8.52                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 518, r1= 1.30, r2= 1.80, r3= 9.56, r4=10.06,
 igr1= 310, 311,
 &end
#
#  22 GLU  HG2    23 ARG  HN      5.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 313, 321, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,  &end
#
#  22 GLU  HG2    36 VAL  HN      6.00                
 &rst
  ixpk= 0, nxpk= 0, iat= 313, 515, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#  22 GLU  HG3    23 ARG  HN      5.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 314, 321, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,  &end
#
#  22 GLU  HG3    36 VAL  HN      6.00                
 &rst
  ixpk= 0, nxpk= 0, iat= 314, 515, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#  22 GLU  QG     23 ARG  HN      5.19                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 321, r1= 1.30, r2= 1.80, r3= 5.83, r4= 6.33,
 igr1= 313, 314,
 &end
#
#  22 GLU  QG     36 VAL  HN      5.74                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 515, r1= 1.30, r2= 1.80, r3= 6.44, r4= 6.94,
 igr1= 313, 314,
 &end
#
#  22 GLU  QG     36 VAL  QQG     9.44                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 518, r1= 1.30, r2= 1.80, r3=10.60, r4=11.10,
 igr1= 313, 314,
 &end
#
#  23 ARG  HN     23 ARG  HB2     3.70                
 &rst
  ixpk= 0, nxpk= 0, iat= 321, 325, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,  &end
#
#  23 ARG  HN     23 ARG  HB3     3.70                
 &rst
  ixpk= 0, nxpk= 0, iat= 321, 326, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,  &end
#
#  23 ARG  HN     23 ARG  QB      3.39                
 &rst
  ixpk= 0, nxpk= 0, iat= 321,  -1, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31,
 igr2= 325, 326,
 &end
#
#  23 ARG  HN     23 ARG  QG      6.00                
 &rst
  ixpk= 0, nxpk= 0, iat= 321,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 328, 329,
 &end
#
#  23 ARG  HN     23 ARG  HD2     5.10                
 &rst
  ixpk= 0, nxpk= 0, iat= 321, 331, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,  &end
#
#  23 ARG  HN     23 ARG  HD3     5.10                
 &rst
  ixpk= 0, nxpk= 0, iat= 321, 332, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,  &end
#
#  23 ARG  HN     23 ARG  QD      4.92                
 &rst
  ixpk= 0, nxpk= 0, iat= 321,  -1, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02,
 igr2= 331, 332,
 &end
#
#  23 ARG  HN     24 ALA  HN      3.70                
 &rst
  ixpk= 0, nxpk= 0, iat= 321, 345, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,  &end
#
#  23 ARG  HN     24 ALA  QB      4.90                
 &rst
  ixpk= 0, nxpk= 0, iat= 321,  -1, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
 igr2= 349, 350, 351,
 &end
#
#  23 ARG  HN     25 ILE  HN      4.80                
 &rst
  ixpk= 0, nxpk= 0, iat= 321, 355, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,  &end
#
#  23 ARG  HN     27 LYS  QE      6.88                
 &rst
  ixpk= 0, nxpk= 0, iat= 321,  -1, r1= 1.30, r2= 1.80, r3= 7.72, r4= 8.22,
 igr2= 397, 398,
 &end
#
#  23 ARG  HA     23 ARG  HD2     4.90                
 &rst
  ixpk= 0, nxpk= 0, iat= 323, 331, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,  &end
#
#  23 ARG  HA     23 ARG  HD3     4.90                
 &rst
  ixpk= 0, nxpk= 0, iat= 323, 332, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,  &end
#
#  23 ARG  HA     23 ARG  QD      4.57                
 &rst
  ixpk= 0, nxpk= 0, iat= 323,  -1, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63,
 igr2= 331, 332,
 &end
#
#  23 ARG  HA     24 ALA  HA      4.80                
 &rst
  ixpk= 0, nxpk= 0, iat= 323, 347, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,  &end
#
#  23 ARG  HA     25 ILE  HN      5.20                
 &rst
  ixpk= 0, nxpk= 0, iat= 323, 355, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,  &end
#
#  23 ARG  HA     25 ILE  HB      6.00                
 &rst
  ixpk= 0, nxpk= 0, iat= 323, 359, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#  23 ARG  HA     26 ALA  HN      5.20                
 &rst
  ixpk= 0, nxpk= 0, iat= 323, 374, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,  &end
#
#  23 ARG  HA     26 ALA  QB      4.30                
 &rst
  ixpk= 0, nxpk= 0, iat= 323,  -1, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
 igr2= 378, 379, 380,
 &end
#
#  23 ARG  HA     27 LYS  HN      6.00                
 &rst
  ixpk= 0, nxpk= 0, iat= 323, 384, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#  23 ARG  HB2    24 ALA  HN      4.10                
 &rst
  ixpk= 0, nxpk= 0, iat= 325, 345, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,  &end
#
#  23 ARG  HB3    24 ALA  HN      4.10                
 &rst
  ixpk= 0, nxpk= 0, iat= 326, 345, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,  &end
#
#  23 ARG  QB     24 ALA  HA      5.28                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 347, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43,
 igr1= 325, 326,
 &end
#
#  23 ARG  QG     24 ALA  HN      7.00                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 345, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1= 328, 329,
 &end
#
#  23 ARG  QG     24 ALA  HA      4.40                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 347, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
 igr1= 328, 329,
 &end
#
#  23 ARG  QG     26 ALA  HN      7.00                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 374, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1= 328, 329,
 &end
#
#  23 ARG  QG     26 ALA  QB      8.00                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.78, r4=11.28,
 igr1= 328, 329,
 igr2= 378, 379, 380,
 &end
#
#  24 ALA  HN     24 ALA  QB      3.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 345,  -1, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82,
 igr2= 349, 350, 351,
 &end
#
#  24 ALA  HN     25 ILE  HN      3.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 345, 355, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,  &end
#
#  24 ALA  HN     25 ILE  HB      5.20                
 &rst
  ixpk= 0, nxpk= 0, iat= 345, 359, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,  &end
#
#  24 ALA  HN     25 ILE  QG1     6.88                
 &rst
  ixpk= 0, nxpk= 0, iat= 345,  -1, r1= 1.30, r2= 1.80, r3= 7.72, r4= 8.22,
 igr2= 365, 366,
 &end
#
#  24 ALA  HN     26 ALA  HN      4.80                
 &rst
  ixpk= 0, nxpk= 0, iat= 345, 374, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,  &end
#
#  24 ALA  HA     25 ILE  HA      5.20                
 &rst
  ixpk= 0, nxpk= 0, iat= 347, 357, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,  &end
#
#  24 ALA  HA     26 ALA  HN      5.30                
 &rst
  ixpk= 0, nxpk= 0, iat= 347, 374, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,  &end
#
#  24 ALA  HA     27 LYS  HN      5.30                
 &rst
  ixpk= 0, nxpk= 0, iat= 347, 384, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,  &end
#
#  24 ALA  HA     27 LYS  QB      5.58                
 &rst
  ixpk= 0, nxpk= 0, iat= 347,  -1, r1= 1.30, r2= 1.80, r3= 6.26, r4= 6.76,
 igr2= 388, 389,
 &end
#
#  24 ALA  HA     27 LYS  HG2     6.00                
 &rst
  ixpk= 0, nxpk= 0, iat= 347, 391, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#  24 ALA  HA     27 LYS  HG3     6.00                
 &rst
  ixpk= 0, nxpk= 0, iat= 347, 392, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#  24 ALA  HA     27 LYS  QG      5.50                
 &rst
  ixpk= 0, nxpk= 0, iat= 347,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 391, 392,
 &end
#
#  24 ALA  HA     27 LYS  HD2     6.00                
 &rst
  ixpk= 0, nxpk= 0, iat= 347, 394, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#  24 ALA  HA     27 LYS  HD3     6.00                
 &rst
  ixpk= 0, nxpk= 0, iat= 347, 395, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#  24 ALA  HA     27 LYS  QD      5.74                
 &rst
  ixpk= 0, nxpk= 0, iat= 347,  -1, r1= 1.30, r2= 1.80, r3= 6.44, r4= 6.94,
 igr2= 394, 395,
 &end
#
#  24 ALA  QB     25 ILE  HN      4.10                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 355, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,
 igr1= 349, 350, 351,
 &end
#
#  24 ALA  QB     25 ILE  HA      6.70                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 357, r1= 1.30, r2= 1.80, r3= 8.05, r4= 8.55,
 igr1= 349, 350, 351,
 &end
#
#  24 ALA  QB     26 ALA  HN      5.30                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 374, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1= 349, 350, 351,
 &end
#
#  24 ALA  QB     59 ALA  QB      8.00                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=11.54, r4=12.04,
 igr1= 349, 350, 351,
 igr2= 866, 867, 868,
 &end
#
#  24 ALA  QB     60 VAL  HA      7.00                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 874, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr1= 349, 350, 351,
 &end
#
#  25 ILE  HN     25 ILE  HB      3.40                
 &rst
  ixpk= 0, nxpk= 0, iat= 355, 359, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90,  &end
#
#  25 ILE  HN     25 ILE  QG2     4.40                
 &rst
  ixpk= 0, nxpk= 0, iat= 355,  -1, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
 igr2= 361, 362, 363,
 &end
#
#  25 ILE  HN     25 ILE  HG12    3.90                
 &rst
  ixpk= 0, nxpk= 0, iat= 355, 365, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40,  &end
#
#  25 ILE  HN     25 ILE  HG13    3.90                
 &rst
  ixpk= 0, nxpk= 0, iat= 355, 366, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40,  &end
#
#  25 ILE  HN     25 ILE  QD1     4.50                
 &rst
  ixpk= 0, nxpk= 0, iat= 355,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 368, 369, 370,
 &end
#
#  25 ILE  HN     26 ALA  HN      2.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 355, 374, r1= 1.30, r2= 1.80, r3= 2.60, r4= 3.10,  &end
#
#  25 ILE  HN     26 ALA  HA      6.00                
 &rst
  ixpk= 0, nxpk= 0, iat= 355, 376, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#  25 ILE  HN     27 LYS  HN      6.00                
 &rst
  ixpk= 0, nxpk= 0, iat= 355, 384, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#  25 ILE  HN     45 VAL  QQG     8.56                
 &rst
  ixpk= 0, nxpk= 0, iat= 355, 655, r1= 1.30, r2= 1.80, r3= 8.56, r4= 9.06,  &end
#
#  25 ILE  HA     27 LYS  HN      5.80                
 &rst
  ixpk= 0, nxpk= 0, iat= 357, 384, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,  &end
#
#  25 ILE  HA     27 LYS  QB      6.18                
 &rst
  ixpk= 0, nxpk= 0, iat= 357,  -1, r1= 1.30, r2= 1.80, r3= 6.94, r4= 7.44,
 igr2= 388, 389,
 &end
#
#  25 ILE  HA     28 VAL  HN      5.30                
 &rst
  ixpk= 0, nxpk= 0, iat= 357, 406, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,  &end
#
#  25 ILE  HA     28 VAL  HB      5.70                
 &rst
  ixpk= 0, nxpk= 0, iat= 357, 410, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,  &end
#
#  25 ILE  HA     28 VAL  QG1     6.00                
 &rst
  ixpk= 0, nxpk= 0, iat= 357,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr2= 412, 413, 414,
 &end
#
#  25 ILE  HA     28 VAL  QG2     6.00                
 &rst
  ixpk= 0, nxpk= 0, iat= 357,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr2= 416, 417, 418,
 &end
#
#  25 ILE  HA     28 VAL  QQG     5.64                
 &rst
  ixpk= 0, nxpk= 0, iat= 357, 409, r1= 1.30, r2= 1.80, r3= 5.64, r4= 6.14,  &end
#
#  25 ILE  HA     59 ALA  QB      7.00                
 &rst
  ixpk= 0, nxpk= 0, iat= 357,  -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr2= 866, 867, 868,
 &end
#
#  25 ILE  HB     26 ALA  HN      4.10                
 &rst
  ixpk= 0, nxpk= 0, iat= 359, 374, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,  &end
#
#  25 ILE  HB     26 ALA  HA      5.70                
 &rst
  ixpk= 0, nxpk= 0, iat= 359, 376, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,  &end
#
#  25 ILE  HB     26 ALA  QB      7.00                
 &rst
  ixpk= 0, nxpk= 0, iat= 359,  -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr2= 378, 379, 380,
 &end
#
#  25 ILE  HB     27 LYS  HN      6.00                
 &rst
  ixpk= 0, nxpk= 0, iat= 359, 384, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#  25 ILE  QG2    26 ALA  HN      7.00                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 374, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr1= 361, 362, 363,
 &end
#
#  25 ILE  QG2    26 ALA  HA      7.00                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 376, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr1= 361, 362, 363,
 &end
#
#  25 ILE  QG2    27 LYS  HN      7.00                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 384, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr1= 361, 362, 363,
 &end
#
#  25 ILE  QG2    28 VAL  HN      7.00                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 406, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr1= 361, 362, 363,
 &end
#
#  25 ILE  QG2    34 CYS  QB      7.88                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.62, r4=11.12,
 igr1= 361, 362, 363,
 igr2= 491, 492,
 &end
#
#  25 ILE  QG2    47 TYR  QB      7.88                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.62, r4=11.12,
 igr1= 361, 362, 363,
 igr2= 683, 684,
 &end
#
#  25 ILE  QG2    59 ALA  QB      8.00                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=11.54, r4=12.04,
 igr1= 361, 362, 363,
 igr2= 866, 867, 868,
 &end
#
#  25 ILE  HG12   59 ALA  QB      7.00                
 &rst
  ixpk= 0, nxpk= 0, iat= 365,  -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr2= 866, 867, 868,
 &end
#
#  25 ILE  HG13   59 ALA  QB      7.00                
 &rst
  ixpk= 0, nxpk= 0, iat= 366,  -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr2= 866, 867, 868,
 &end
#
#  25 ILE  QG1    26 ALA  HN      6.88                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 374, r1= 1.30, r2= 1.80, r3= 7.72, r4= 8.22,
 igr1= 365, 366,
 &end
#
#  25 ILE  QG1    45 VAL  QQG     9.44                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 655, r1= 1.30, r2= 1.80, r3=10.60, r4=11.10,
 igr1= 365, 366,
 &end
#
#  25 ILE  QD1    26 ALA  HN      7.00                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 374, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr1= 368, 369, 370,
 &end
#
#  25 ILE  QD1    43 ALA  QB      8.00                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=11.54, r4=12.04,
 igr1= 368, 369, 370,
 igr2= 630, 631, 632,
 &end
#
#  25 ILE  QD1    45 VAL  QG1     8.00                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=11.54, r4=12.04,
 igr1= 368, 369, 370,
 igr2= 658, 659, 660,
 &end
#
#  25 ILE  QD1    45 VAL  QG2     8.00                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=11.54, r4=12.04,
 igr1= 368, 369, 370,
 igr2= 662, 663, 664,
 &end
#
#  25 ILE  QD1    59 ALA  QB      8.00                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=11.54, r4=12.04,
 igr1= 368, 369, 370,
 igr2= 866, 867, 868,
 &end
#
#  25 ILE  QD1    60 VAL  QQG     9.56                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 875, r1= 1.30, r2= 1.80, r3=11.48, r4=11.98,
 igr1= 368, 369, 370,
 &end
#
#  26 ALA  HN     26 ALA  QB      3.40                
 &rst
  ixpk= 0, nxpk= 0, iat= 374,  -1, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58,
 igr2= 378, 379, 380,
 &end
#
#  26 ALA  HN     27 LYS  HN      3.80                
 &rst
  ixpk= 0, nxpk= 0, iat= 374, 384, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30,  &end
#
#  26 ALA  HN     27 LYS  QB      6.38                
 &rst
  ixpk= 0, nxpk= 0, iat= 374,  -1, r1= 1.30, r2= 1.80, r3= 7.16, r4= 7.66,
 igr2= 388, 389,
 &end
#
#  26 ALA  HN     28 VAL  HN      5.30                
 &rst
  ixpk= 0, nxpk= 0, iat= 374, 406, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,  &end
#
#  26 ALA  HN     28 VAL  QQG     8.56                
 &rst
  ixpk= 0, nxpk= 0, iat= 374, 409, r1= 1.30, r2= 1.80, r3= 8.56, r4= 9.06,  &end
#
#  26 ALA  HN     31 VAL  QG1     6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 374,  -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
 igr2= 449, 450, 451,
 &end
#
#  26 ALA  HN     31 VAL  QG2     6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 374,  -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
 igr2= 453, 454, 455,
 &end
#
#  26 ALA  HN     31 VAL  QQG     6.21                
 &rst
  ixpk= 0, nxpk= 0, iat= 374, 446, r1= 1.30, r2= 1.80, r3= 6.21, r4= 6.71,  &end
#
#  26 ALA  HN     34 CYS  HB2     6.00                
 &rst
  ixpk= 0, nxpk= 0, iat= 374, 491, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#  26 ALA  HN     34 CYS  HB3     6.00                
 &rst
  ixpk= 0, nxpk= 0, iat= 374, 492, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#  26 ALA  HA     28 VAL  HN      5.30                
 &rst
  ixpk= 0, nxpk= 0, iat= 376, 406, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,  &end
#
#  26 ALA  HA     31 VAL  HB      6.00                
 &rst
  ixpk= 0, nxpk= 0, iat= 376, 447, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#  26 ALA  HA     31 VAL  QG1     5.40                
 &rst
  ixpk= 0, nxpk= 0, iat= 376,  -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
 igr2= 449, 450, 451,
 &end
#
#  26 ALA  HA     31 VAL  QG2     5.40                
 &rst
  ixpk= 0, nxpk= 0, iat= 376,  -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
 igr2= 453, 454, 455,
 &end
#
#  26 ALA  HA     31 VAL  QQG     4.23                
 &rst
  ixpk= 0, nxpk= 0, iat= 376, 446, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73,  &end
#
#  26 ALA  QB     27 LYS  HN      4.20                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 384, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1= 378, 379, 380,
 &end
#
#  26 ALA  QB     27 LYS  HA      5.40                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 386, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
 igr1= 378, 379, 380,
 &end
#
#  26 ALA  QB     33 SER  HA      7.00                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 478, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr1= 378, 379, 380,
 &end
#
#  27 LYS  HN     27 LYS  QB      3.77                
 &rst
  ixpk= 0, nxpk= 0, iat= 384,  -1, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73,
 igr2= 388, 389,
 &end
#
#  27 LYS  HN     27 LYS  HG2     4.00                
 &rst
  ixpk= 0, nxpk= 0, iat= 384, 391, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  27 LYS  HN     27 LYS  HG3     4.00                
 &rst
  ixpk= 0, nxpk= 0, iat= 384, 392, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  27 LYS  HN     27 LYS  QG      3.80                
 &rst
  ixpk= 0, nxpk= 0, iat= 384,  -1, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,
 igr2= 391, 392,
 &end
#
#  27 LYS  HN     27 LYS  QD      4.58                
 &rst
  ixpk= 0, nxpk= 0, iat= 384,  -1, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
 igr2= 394, 395,
 &end
#
#  27 LYS  HN     27 LYS  HE2     5.80                
 &rst
  ixpk= 0, nxpk= 0, iat= 384, 397, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,  &end
#
#  27 LYS  HN     27 LYS  HE3     5.80                
 &rst
  ixpk= 0, nxpk= 0, iat= 384, 398, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,  &end
#
#  27 LYS  HN     27 LYS  QE      5.63                
 &rst
  ixpk= 0, nxpk= 0, iat= 384,  -1, r1= 1.30, r2= 1.80, r3= 6.32, r4= 6.82,
 igr2= 397, 398,
 &end
#
#  27 LYS  HN     28 VAL  HN      3.50                
 &rst
  ixpk= 0, nxpk= 0, iat= 384, 406, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  27 LYS  HN     28 VAL  HB      4.70                
 &rst
  ixpk= 0, nxpk= 0, iat= 384, 410, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,  &end
#
#  27 LYS  HN     28 VAL  QG1     7.00                
 &rst
  ixpk= 0, nxpk= 0, iat= 384,  -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr2= 412, 413, 414,
 &end
#
#  27 LYS  HN     28 VAL  QG2     7.00                
 &rst
  ixpk= 0, nxpk= 0, iat= 384,  -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr2= 416, 417, 418,
 &end
#
#  27 LYS  HN     31 VAL  HB      6.00                
 &rst
  ixpk= 0, nxpk= 0, iat= 384, 447, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#  27 LYS  HA     27 LYS  HG2     3.70                
 &rst
  ixpk= 0, nxpk= 0, iat= 386, 391, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,  &end
#
#  27 LYS  HA     27 LYS  HG3     3.70                
 &rst
  ixpk= 0, nxpk= 0, iat= 386, 392, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,  &end
#
#  27 LYS  HA     27 LYS  QG      3.25                
 &rst
  ixpk= 0, nxpk= 0, iat= 386,  -1, r1= 1.30, r2= 1.80, r3= 3.65, r4= 4.15,
 igr2= 391, 392,
 &end
#
#  27 LYS  HA     27 LYS  HD2     4.30                
 &rst
  ixpk= 0, nxpk= 0, iat= 386, 394, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,  &end
#
#  27 LYS  HA     27 LYS  HD3     4.30                
 &rst
  ixpk= 0, nxpk= 0, iat= 386, 395, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,  &end
#
#  27 LYS  HA     27 LYS  HE2     6.00                
 &rst
  ixpk= 0, nxpk= 0, iat= 386, 397, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#  27 LYS  HA     27 LYS  HE3     6.00                
 &rst
  ixpk= 0, nxpk= 0, iat= 386, 398, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#  27 LYS  HA     27 LYS  QE      5.64                
 &rst
  ixpk= 0, nxpk= 0, iat= 386,  -1, r1= 1.30, r2= 1.80, r3= 6.33, r4= 6.83,
 igr2= 397, 398,
 &end
#
#  27 LYS  HA     28 VAL  HA      5.00                
 &rst
  ixpk= 0, nxpk= 0, iat= 386, 408, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  27 LYS  HA     29 PRO  QD      6.88                
 &rst
  ixpk= 0, nxpk= 0, iat= 386,  -1, r1= 1.30, r2= 1.80, r3= 7.72, r4= 8.22,
 igr2= 423, 424,
 &end
#
#  27 LYS  HA     31 VAL  QQG     8.56                
 &rst
  ixpk= 0, nxpk= 0, iat= 386, 446, r1= 1.30, r2= 1.80, r3= 8.56, r4= 9.06,  &end
#
#  27 LYS  HB2    27 LYS  HE2     6.00                
 &rst
  ixpk= 0, nxpk= 0, iat= 388, 397, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#  27 LYS  HB2    27 LYS  HE3     6.00                
 &rst
  ixpk= 0, nxpk= 0, iat= 388, 398, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#  27 LYS  HB2    28 VAL  HN      4.70                
 &rst
  ixpk= 0, nxpk= 0, iat= 388, 406, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,  &end
#
#  27 LYS  HB2    28 VAL  HA      5.50                
 &rst
  ixpk= 0, nxpk= 0, iat= 388, 408, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  27 LYS  HB3    27 LYS  HE2     6.00                
 &rst
  ixpk= 0, nxpk= 0, iat= 389, 397, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#  27 LYS  HB3    27 LYS  HE3     6.00                
 &rst
  ixpk= 0, nxpk= 0, iat= 389, 398, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#  27 LYS  HB3    28 VAL  HN      4.70                
 &rst
  ixpk= 0, nxpk= 0, iat= 389, 406, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,  &end
#
#  27 LYS  HB3    28 VAL  HA      5.50                
 &rst
  ixpk= 0, nxpk= 0, iat= 389, 408, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  27 LYS  QB     28 VAL  HA      4.95                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 408, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
 igr1= 388, 389,
 &end
#
#  27 LYS  QB     29 PRO  QD      7.75                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.76, r4=10.26,
 igr1= 388, 389,
 igr2= 423, 424,
 &end
#
#  27 LYS  QG     28 VAL  HN      6.88                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 406, r1= 1.30, r2= 1.80, r3= 7.72, r4= 8.22,
 igr1= 391, 392,
 &end
#
#  27 LYS  QD     28 VAL  HN      6.88                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 406, r1= 1.30, r2= 1.80, r3= 7.72, r4= 8.22,
 igr1= 394, 395,
 &end
#
#  28 VAL  HN     28 VAL  HB      3.30                
 &rst
  ixpk= 0, nxpk= 0, iat= 406, 410, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
#  28 VAL  HN     28 VAL  QQG     4.01                
 &rst
  ixpk= 0, nxpk= 0, iat= 406, 409, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51,  &end
#
#  28 VAL  HN     29 PRO  QD      6.88                
 &rst
  ixpk= 0, nxpk= 0, iat= 406,  -1, r1= 1.30, r2= 1.80, r3= 7.72, r4= 8.22,
 igr2= 423, 424,
 &end
#
#  28 VAL  HN     31 VAL  HB      5.30                
 &rst
  ixpk= 0, nxpk= 0, iat= 406, 447, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,  &end
#
#  28 VAL  HN     31 VAL  QQG     5.96                
 &rst
  ixpk= 0, nxpk= 0, iat= 406, 446, r1= 1.30, r2= 1.80, r3= 5.96, r4= 6.46,  &end
#
#  28 VAL  HA     29 PRO  HA      4.30                
 &rst
  ixpk= 0, nxpk= 0, iat= 408, 432, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,  &end
#
#  28 VAL  HA     29 PRO  QB      5.18                
 &rst
  ixpk= 0, nxpk= 0, iat= 408,  -1, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31,
 igr2= 429, 430,
 &end
#
#  28 VAL  HA     29 PRO  HG2     5.30                
 &rst
  ixpk= 0, nxpk= 0, iat= 408, 426, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,  &end
#
#  28 VAL  HA     29 PRO  HG3     5.30                
 &rst
  ixpk= 0, nxpk= 0, iat= 408, 427, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,  &end
#
#  28 VAL  HA     29 PRO  QG      5.08                
 &rst
  ixpk= 0, nxpk= 0, iat= 408,  -1, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,
 igr2= 426, 427,
 &end
#
#  28 VAL  HA     31 VAL  QQG     7.56                
 &rst
  ixpk= 0, nxpk= 0, iat= 408, 446, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,  &end
#
#  28 VAL  HB     29 PRO  HD2     6.00                
 &rst
  ixpk= 0, nxpk= 0, iat= 410, 423, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#  28 VAL  HB     29 PRO  HD3     6.00                
 &rst
  ixpk= 0, nxpk= 0, iat= 410, 424, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#  28 VAL  HB     31 VAL  HN      4.70                
 &rst
  ixpk= 0, nxpk= 0, iat= 410, 443, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,  &end
#
#  28 VAL  HB     31 VAL  QG1     7.00                
 &rst
  ixpk= 0, nxpk= 0, iat= 410,  -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr2= 449, 450, 451,
 &end
#
#  28 VAL  HB     31 VAL  QG2     7.00                
 &rst
  ixpk= 0, nxpk= 0, iat= 410,  -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr2= 453, 454, 455,
 &end
#
#  28 VAL  HB     31 VAL  QQG     6.67                
 &rst
  ixpk= 0, nxpk= 0, iat= 410, 446, r1= 1.30, r2= 1.80, r3= 6.67, r4= 7.17,  &end
#
#  28 VAL  QG1    29 PRO  HD2     7.00                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 423, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr1= 412, 413, 414,
 &end
#
#  28 VAL  QG1    29 PRO  HD3     7.00                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 424, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr1= 412, 413, 414,
 &end
#
#  28 VAL  QG2    29 PRO  HD2     7.00                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 423, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr1= 416, 417, 418,
 &end
#
#  28 VAL  QG2    29 PRO  HD3     7.00                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 424, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr1= 416, 417, 418,
 &end
#
#  28 VAL  QQG    29 PRO  QD      6.59                
 &rst
  ixpk= 0, nxpk= 0, iat= 409,  -1, r1= 1.30, r2= 1.80, r3= 7.40, r4= 7.90,
 igr2= 423, 424,
 &end
#
#  28 VAL  QQG    30 GLY  HN      8.56                
 &rst
  ixpk= 0, nxpk= 0, iat= 409, 436, r1= 1.30, r2= 1.80, r3= 8.56, r4= 9.06,  &end
#
#  28 VAL  QQG    31 VAL  HN      8.56                
 &rst
  ixpk= 0, nxpk= 0, iat= 409, 443, r1= 1.30, r2= 1.80, r3= 8.56, r4= 9.06,  &end
#
#  28 VAL  QQG    32 GLN  HN      8.56                
 &rst
  ixpk= 0, nxpk= 0, iat= 409, 459, r1= 1.30, r2= 1.80, r3= 8.56, r4= 9.06,  &end
#
#  28 VAL  QQG    33 SER  HN      8.56                
 &rst
  ixpk= 0, nxpk= 0, iat= 409, 476, r1= 1.30, r2= 1.80, r3= 8.56, r4= 9.06,  &end
#
#  28 VAL  QQG    59 ALA  HN      8.56                
 &rst
  ixpk= 0, nxpk= 0, iat= 409, 862, r1= 1.30, r2= 1.80, r3= 8.56, r4= 9.06,  &end
#
#  29 PRO  HA     30 GLY  QA      5.58                
 &rst
  ixpk= 0, nxpk= 0, iat= 432,  -1, r1= 1.30, r2= 1.80, r3= 6.26, r4= 6.76,
 igr2= 438, 439,
 &end
#
#  29 PRO  HA     31 VAL  HN      5.10                
 &rst
  ixpk= 0, nxpk= 0, iat= 432, 443, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,  &end
#
#  29 PRO  HA     31 VAL  QQG     8.56                
 &rst
  ixpk= 0, nxpk= 0, iat= 432, 446, r1= 1.30, r2= 1.80, r3= 8.56, r4= 9.06,  &end
#
#  29 PRO  QB     30 GLY  QA      7.75                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.76, r4=10.26,
 igr1= 429, 430,
 igr2= 438, 439,
 &end
#
#  29 PRO  QB     31 VAL  HN      6.68                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 443, r1= 1.30, r2= 1.80, r3= 7.50, r4= 8.00,
 igr1= 429, 430,
 &end
#
#  30 GLY  HN     31 VAL  HN      4.40                
 &rst
  ixpk= 0, nxpk= 0, iat= 436, 443, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,  &end
#
#  30 GLY  HA1    48 HIST HN      6.00                
 &rst
  ixpk= 0, nxpk= 0, iat= 438, 700, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#  30 GLY  HA2    48 HIST HN      6.00                
 &rst
  ixpk= 0, nxpk= 0, iat= 439, 700, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#  30 GLY  QA     31 VAL  HA      5.38                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 445, r1= 1.30, r2= 1.80, r3= 6.04, r4= 6.54,
 igr1= 438, 439,
 &end
#
#  30 GLY  QA     48 HIST HN      5.79                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 700, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,
 igr1= 438, 439,
 &end
#
#  30 GLY  QA     48 HIST QB      7.88                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.93, r4=10.43,
 igr1= 438, 439,
 igr2= 704, 705,
 &end
#
#  30 GLY  QA     48 HIST HD2     6.88                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 713, r1= 1.30, r2= 1.80, r3= 7.72, r4= 8.22,
 igr1= 438, 439,
 &end
#
#  31 VAL  HN     32 GLN  HN      4.70                
 &rst
  ixpk= 0, nxpk= 0, iat= 443, 459, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,  &end
#
#  31 VAL  HN     47 TYR  HA      6.00                
 &rst
  ixpk= 0, nxpk= 0, iat= 443, 681, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#  31 VAL  HN     47 TYR  QB      6.88                
 &rst
  ixpk= 0, nxpk= 0, iat= 443,  -1, r1= 1.30, r2= 1.80, r3= 7.72, r4= 8.22,
 igr2= 683, 684,
 &end
#
#  31 VAL  HA     32 GLN  HA      4.50                
 &rst
  ixpk= 0, nxpk= 0, iat= 445, 461, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  31 VAL  HA     33 SER  HN      4.70                
 &rst
  ixpk= 0, nxpk= 0, iat= 445, 476, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,  &end
#
#  31 VAL  HA     45 VAL  QQG     5.96                
 &rst
  ixpk= 0, nxpk= 0, iat= 445, 655, r1= 1.30, r2= 1.80, r3= 5.96, r4= 6.46,  &end
#
#  31 VAL  HA     47 TYR  HA      3.50                
 &rst
  ixpk= 0, nxpk= 0, iat= 445, 681, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  31 VAL  HA     47 TYR  HB2     5.90                
 &rst
  ixpk= 0, nxpk= 0, iat= 445, 683, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,  &end
#
#  31 VAL  HA     47 TYR  HB3     5.90                
 &rst
  ixpk= 0, nxpk= 0, iat= 445, 684, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,  &end
#
#  31 VAL  HA     47 TYR  QB      5.64                
 &rst
  ixpk= 0, nxpk= 0, iat= 445,  -1, r1= 1.30, r2= 1.80, r3= 6.33, r4= 6.83,
 igr2= 683, 684,
 &end
#
#  31 VAL  HA     47 TYR  QD      8.00                
 &rst
  ixpk= 0, nxpk= 0, iat= 445,  -1, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
 igr2= 687, 696,
 &end
#
#  31 VAL  HA     47 TYR  QE      8.00                
 &rst
  ixpk= 0, nxpk= 0, iat= 445,  -1, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
 igr2= 689, 694,
 &end
#
#  31 VAL  HA     48 HIST HN      5.10                
 &rst
  ixpk= 0, nxpk= 0, iat= 445, 700, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,  &end
#
#  31 VAL  HB     32 GLN  HN      5.20                
 &rst
  ixpk= 0, nxpk= 0, iat= 447, 459, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,  &end
#
#  31 VAL  HB     47 TYR  HA      6.00                
 &rst
  ixpk= 0, nxpk= 0, iat= 447, 681, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#  31 VAL  QG1    32 GLN  HN      6.30                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 459, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1= 449, 450, 451,
 &end
#
#  31 VAL  QG1    32 GLN  HA      7.00                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 461, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr1= 449, 450, 451,
 &end
#
#  31 VAL  QG1    32 GLN  HG2     8.75                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 466, r1= 1.30, r2= 1.80, r3=10.51, r4=11.01,
 igr1= 449, 450, 451,
 &end
#
#  31 VAL  QG1    32 GLN  HG3     8.75                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 467, r1= 1.30, r2= 1.80, r3=10.51, r4=11.01,
 igr1= 449, 450, 451,
 &end
#
#  31 VAL  QG1    32 GLN  HE21    8.73                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 471, r1= 1.30, r2= 1.80, r3=10.48, r4=10.98,
 igr1= 449, 450, 451,
 &end
#
#  31 VAL  QG1    32 GLN  HE22    8.73                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 472, r1= 1.30, r2= 1.80, r3=10.48, r4=10.98,
 igr1= 449, 450, 451,
 &end
#
#  31 VAL  QG1    33 SER  HN      5.40                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 476, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
 igr1= 449, 450, 451,
 &end
#
#  31 VAL  QG1    47 TYR  HB2     7.00                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 683, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr1= 449, 450, 451,
 &end
#
#  31 VAL  QG1    47 TYR  HB3     7.00                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 684, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr1= 449, 450, 451,
 &end
#
#  31 VAL  QG2    32 GLN  HN      6.30                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 459, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1= 453, 454, 455,
 &end
#
#  31 VAL  QG2    32 GLN  HA      7.00                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 461, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr1= 453, 454, 455,
 &end
#
#  31 VAL  QG2    32 GLN  HG2     8.75                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 466, r1= 1.30, r2= 1.80, r3=10.51, r4=11.01,
 igr1= 453, 454, 455,
 &end
#
#  31 VAL  QG2    32 GLN  HG3     8.75                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 467, r1= 1.30, r2= 1.80, r3=10.51, r4=11.01,
 igr1= 453, 454, 455,
 &end
#
#  31 VAL  QG2    32 GLN  HE21    8.73                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 471, r1= 1.30, r2= 1.80, r3=10.48, r4=10.98,
 igr1= 453, 454, 455,
 &end
#
#  31 VAL  QG2    32 GLN  HE22    8.73                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 472, r1= 1.30, r2= 1.80, r3=10.48, r4=10.98,
 igr1= 453, 454, 455,
 &end
#
#  31 VAL  QG2    33 SER  HN      5.40                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 476, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
 igr1= 453, 454, 455,
 &end
#
#  31 VAL  QG2    47 TYR  HB2     7.00                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 683, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr1= 453, 454, 455,
 &end
#
#  31 VAL  QG2    47 TYR  HB3     7.00                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 684, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr1= 453, 454, 455,
 &end
#
#  31 VAL  QQG    32 GLN  HN      5.42                
 &rst
  ixpk= 0, nxpk= 0, iat= 446, 459, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,  &end
#
#  31 VAL  QQG    32 GLN  QG      7.72                
 &rst
  ixpk= 0, nxpk= 0, iat= 446,  -1, r1= 1.30, r2= 1.80, r3= 8.67, r4= 9.17,
 igr2= 466, 467,
 &end
#
#  31 VAL  QQG    32 GLN  QE2     7.71                
 &rst
  ixpk= 0, nxpk= 0, iat= 446,  -1, r1= 1.30, r2= 1.80, r3= 8.65, r4= 9.15,
 igr2= 471, 472,
 &end
#
#  31 VAL  QQG    33 SER  HN      4.63                
 &rst
  ixpk= 0, nxpk= 0, iat= 446, 476, r1= 1.30, r2= 1.80, r3= 4.63, r4= 5.13,  &end
#
#  31 VAL  QQG    34 CYS  HN      8.56                
 &rst
  ixpk= 0, nxpk= 0, iat= 446, 487, r1= 1.30, r2= 1.80, r3= 8.56, r4= 9.06,  &end
#
#  31 VAL  QQG    46 SER  HN      7.66                
 &rst
  ixpk= 0, nxpk= 0, iat= 446, 668, r1= 1.30, r2= 1.80, r3= 7.66, r4= 8.16,  &end
#
#  31 VAL  QQG    46 SER  HA      8.56                
 &rst
  ixpk= 0, nxpk= 0, iat= 446, 670, r1= 1.30, r2= 1.80, r3= 8.56, r4= 9.06,  &end
#
#  31 VAL  QQG    47 TYR  HA      8.56                
 &rst
  ixpk= 0, nxpk= 0, iat= 446, 681, r1= 1.30, r2= 1.80, r3= 8.56, r4= 9.06,  &end
#
#  31 VAL  QQG    47 TYR  QD     10.56                
 &rst
  ixpk= 0, nxpk= 0, iat= 446,  -1, r1= 1.30, r2= 1.80, r3=11.85, r4=12.35,
 igr2= 687, 696,
 &end
#
#  31 VAL  QQG    47 TYR  QE     10.56                
 &rst
  ixpk= 0, nxpk= 0, iat= 446,  -1, r1= 1.30, r2= 1.80, r3=11.85, r4=12.35,
 igr2= 689, 694,
 &end
#
#  31 VAL  QQG    56 LEU  QB      9.56                
 &rst
  ixpk= 0, nxpk= 0, iat= 446,  -1, r1= 1.30, r2= 1.80, r3=10.73, r4=11.23,
 igr2= 821, 822,
 &end
#
#  32 GLN  HN     32 GLN  HG2     6.00                
 &rst
  ixpk= 0, nxpk= 0, iat= 459, 466, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#  32 GLN  HN     32 GLN  HG3     6.00                
 &rst
  ixpk= 0, nxpk= 0, iat= 459, 467, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#  32 GLN  HN     32 GLN  QG      5.23                
 &rst
  ixpk= 0, nxpk= 0, iat= 459,  -1, r1= 1.30, r2= 1.80, r3= 5.87, r4= 6.37,
 igr2= 466, 467,
 &end
#
#  32 GLN  HN     33 SER  HN      3.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 459, 476, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,  &end
#
#  32 GLN  HN     46 SER  QB      6.88                
 &rst
  ixpk= 0, nxpk= 0, iat= 459,  -1, r1= 1.30, r2= 1.80, r3= 7.72, r4= 8.22,
 igr2= 672, 673,
 &end
#
#  32 GLN  HN     47 TYR  HA      3.30                
 &rst
  ixpk= 0, nxpk= 0, iat= 459, 681, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
#  32 GLN  HN     47 TYR  HB2     6.00                
 &rst
  ixpk= 0, nxpk= 0, iat= 459, 683, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#  32 GLN  HN     47 TYR  HB3     6.00                
 &rst
  ixpk= 0, nxpk= 0, iat= 459, 684, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#  32 GLN  HN     47 TYR  QD      8.00                
 &rst
  ixpk= 0, nxpk= 0, iat= 459,  -1, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
 igr2= 687, 696,
 &end
#
#  32 GLN  HA     32 GLN  QG      3.77                
 &rst
  ixpk= 0, nxpk= 0, iat= 461,  -1, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73,
 igr2= 466, 467,
 &end
#
#  32 GLN  HA     32 GLN  NE2     6.00                
 &rst
  ixpk= 0, nxpk= 0, iat= 461,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 471, 472,
 &end
#
#  32 GLN  HA     32 GLN  HE21    6.00                
 &rst
  ixpk= 0, nxpk= 0, iat= 461, 471, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#  32 GLN  HA     32 GLN  HE22    6.00                
 &rst
  ixpk= 0, nxpk= 0, iat= 461, 472, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#  32 GLN  QB     33 SER  HB2     7.00                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 480, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1= 463, 464,
 &end
#
#  32 GLN  QB     33 SER  HB3     7.00                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 481, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1= 463, 464,
 &end
#
#  32 GLN  QB     46 SER  HN      7.00                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 668, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1= 463, 464,
 &end
#
#  32 GLN  QB     46 SER  HB2     7.00                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 672, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1= 463, 464,
 &end
#
#  32 GLN  QB     46 SER  HB3     7.00                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 673, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1= 463, 464,
 &end
#
#  32 GLN  QB     47 TYR  HA      7.00                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 681, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1= 463, 464,
 &end
#
#  32 GLN  QB     48 HIST HN      7.00                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 700, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1= 463, 464,
 &end
#
#  32 GLN  HG2    33 SER  HN      6.00                
 &rst
  ixpk= 0, nxpk= 0, iat= 466, 476, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#  32 GLN  HG2    33 SER  HB2     7.15                
 &rst
  ixpk= 0, nxpk= 0, iat= 466, 480, r1= 1.30, r2= 1.80, r3= 7.15, r4= 7.65,  &end
#
#  32 GLN  HG2    33 SER  HB3     7.15                
 &rst
  ixpk= 0, nxpk= 0, iat= 466, 481, r1= 1.30, r2= 1.80, r3= 7.15, r4= 7.65,  &end
#
#  32 GLN  HG2    46 SER  HB2     7.75                
 &rst
  ixpk= 0, nxpk= 0, iat= 466, 672, r1= 1.30, r2= 1.80, r3= 7.75, r4= 8.25,  &end
#
#  32 GLN  HG2    46 SER  HB3     7.75                
 &rst
  ixpk= 0, nxpk= 0, iat= 466, 673, r1= 1.30, r2= 1.80, r3= 7.75, r4= 8.25,  &end
#
#  32 GLN  HG2    48 HIST HN      6.00                
 &rst
  ixpk= 0, nxpk= 0, iat= 466, 700, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#  32 GLN  HG2    48 HIST HD2     6.00                
 &rst
  ixpk= 0, nxpk= 0, iat= 466, 713, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#  32 GLN  HG3    33 SER  HN      6.00                
 &rst
  ixpk= 0, nxpk= 0, iat= 467, 476, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#  32 GLN  HG3    33 SER  HB2     7.15                
 &rst
  ixpk= 0, nxpk= 0, iat= 467, 480, r1= 1.30, r2= 1.80, r3= 7.15, r4= 7.65,  &end
#
#  32 GLN  HG3    33 SER  HB3     7.15                
 &rst
  ixpk= 0, nxpk= 0, iat= 467, 481, r1= 1.30, r2= 1.80, r3= 7.15, r4= 7.65,  &end
#
#  32 GLN  HG3    46 SER  HB2     7.75                
 &rst
  ixpk= 0, nxpk= 0, iat= 467, 672, r1= 1.30, r2= 1.80, r3= 7.75, r4= 8.25,  &end
#
#  32 GLN  HG3    46 SER  HB3     7.75                
 &rst
  ixpk= 0, nxpk= 0, iat= 467, 673, r1= 1.30, r2= 1.80, r3= 7.75, r4= 8.25,  &end
#
#  32 GLN  HG3    48 HIST HN      6.00                
 &rst
  ixpk= 0, nxpk= 0, iat= 467, 700, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#  32 GLN  HG3    48 HIST HD2     6.00                
 &rst
  ixpk= 0, nxpk= 0, iat= 467, 713, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#  32 GLN  QG     33 SER  QB      6.35                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.00, r4= 8.50,
 igr1= 466, 467,
 igr2= 480, 481,
 &end
#
#  32 GLN  QG     46 SER  QB      6.82                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.59, r4= 9.09,
 igr1= 466, 467,
 igr2= 672, 673,
 &end
#
#  32 GLN  HE21   35 GLN  HE21    7.73                
 &rst
  ixpk= 0, nxpk= 0, iat= 471, 510, r1= 1.30, r2= 1.80, r3= 7.73, r4= 8.23,  &end
#
#  32 GLN  HE21   35 GLN  HE22    7.73                
 &rst
  ixpk= 0, nxpk= 0, iat= 471, 511, r1= 1.30, r2= 1.80, r3= 7.73, r4= 8.23,  &end
#
#  32 GLN  HE22   35 GLN  HE21    7.73                
 &rst
  ixpk= 0, nxpk= 0, iat= 472, 510, r1= 1.30, r2= 1.80, r3= 7.73, r4= 8.23,  &end
#
#  32 GLN  HE22   35 GLN  HE22    7.73                
 &rst
  ixpk= 0, nxpk= 0, iat= 472, 511, r1= 1.30, r2= 1.80, r3= 7.73, r4= 8.23,  &end
#
#  32 GLN  QE2    33 SER  QB      7.74                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.75, r4=10.25,
 igr1= 471, 472,
 igr2= 480, 481,
 &end
#
#  32 GLN  QE2    35 GLN  QE2     6.81                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.58, r4= 9.08,
 igr1= 471, 472,
 igr2= 510, 511,
 &end
#
#  33 SER  HN     34 CYS  HA      5.90                
 &rst
  ixpk= 0, nxpk= 0, iat= 476, 489, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,  &end
#
#  33 SER  HN     44 VAL  QQG     8.56                
 &rst
  ixpk= 0, nxpk= 0, iat= 476, 639, r1= 1.30, r2= 1.80, r3= 8.56, r4= 9.06,  &end
#
#  33 SER  HN     45 VAL  HA      6.00                
 &rst
  ixpk= 0, nxpk= 0, iat= 476, 654, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#  33 SER  HN     46 SER  HN      4.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 476, 668, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,  &end
#
#  33 SER  HN     46 SER  HB2     5.70                
 &rst
  ixpk= 0, nxpk= 0, iat= 476, 672, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,  &end
#
#  33 SER  HN     46 SER  HB3     5.70                
 &rst
  ixpk= 0, nxpk= 0, iat= 476, 673, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,  &end
#
#  33 SER  HN     47 TYR  HA      4.90                
 &rst
  ixpk= 0, nxpk= 0, iat= 476, 681, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,  &end
#
#  33 SER  HA     34 CYS  HN      2.90                
 &rst
  ixpk= 0, nxpk= 0, iat= 478, 487, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40,  &end
#
#  33 SER  HA     45 VAL  QQG     8.56                
 &rst
  ixpk= 0, nxpk= 0, iat= 478, 655, r1= 1.30, r2= 1.80, r3= 8.56, r4= 9.06,  &end
#
#  33 SER  HB2    34 CYS  HN      4.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 480, 487, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,  &end
#
#  33 SER  HB3    34 CYS  HN      4.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 481, 487, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,  &end
#
#  33 SER  QB     34 CYS  HN      3.99                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 487, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98,
 igr1= 480, 481,
 &end
#
#  33 SER  QB     35 GLN  QG      7.75                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.76, r4=10.26,
 igr1= 480, 481,
 igr2= 505, 506,
 &end
#
#  33 SER  QB     35 GLN  QE2     7.74                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.75, r4=10.25,
 igr1= 480, 481,
 igr2= 510, 511,
 &end
#
#  33 SER  QB     46 SER  HN      6.88                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 668, r1= 1.30, r2= 1.80, r3= 7.72, r4= 8.22,
 igr1= 480, 481,
 &end
#
#  33 SER  QB     46 SER  QB      5.75                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.24, r4= 7.74,
 igr1= 480, 481,
 igr2= 672, 673,
 &end
#
#  34 CYS  HA     35 GLN  HN      3.40                
 &rst
  ixpk= 0, nxpk= 0, iat= 489, 498, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90,  &end
#
#  34 CYS  HA     44 VAL  HN      4.90                
 &rst
  ixpk= 0, nxpk= 0, iat= 489, 636, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,  &end
#
#  34 CYS  HA     44 VAL  QQG     8.56                
 &rst
  ixpk= 0, nxpk= 0, iat= 489, 639, r1= 1.30, r2= 1.80, r3= 8.56, r4= 9.06,  &end
#
#  34 CYS  HA     45 VAL  HA      3.80                
 &rst
  ixpk= 0, nxpk= 0, iat= 489, 654, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30,  &end
#
#  34 CYS  HA     45 VAL  HB      6.00                
 &rst
  ixpk= 0, nxpk= 0, iat= 489, 656, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#  34 CYS  HA     45 VAL  QG1     7.00                
 &rst
  ixpk= 0, nxpk= 0, iat= 489,  -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr2= 658, 659, 660,
 &end
#
#  34 CYS  HA     45 VAL  QG2     7.00                
 &rst
  ixpk= 0, nxpk= 0, iat= 489,  -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr2= 662, 663, 664,
 &end
#
#  34 CYS  HA     46 SER  HN      5.00                
 &rst
  ixpk= 0, nxpk= 0, iat= 489, 668, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  34 CYS  HB2    35 GLN  HN      5.40                
 &rst
  ixpk= 0, nxpk= 0, iat= 491, 498, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,  &end
#
#  34 CYS  HB2    44 VAL  QG1    10.12                
 &rst
  ixpk= 0, nxpk= 0, iat= 491,  -1, r1= 1.30, r2= 1.80, r3=12.15, r4=12.65,
 igr2= 642, 643, 644,
 &end
#
#  34 CYS  HB2    44 VAL  QG2    10.12                
 &rst
  ixpk= 0, nxpk= 0, iat= 491,  -1, r1= 1.30, r2= 1.80, r3=12.15, r4=12.65,
 igr2= 646, 647, 648,
 &end
#
#  34 CYS  HB2    45 VAL  HA      6.00                
 &rst
  ixpk= 0, nxpk= 0, iat= 491, 654, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#  34 CYS  HB2    45 VAL  QG1     7.00                
 &rst
  ixpk= 0, nxpk= 0, iat= 491,  -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr2= 658, 659, 660,
 &end
#
#  34 CYS  HB2    45 VAL  QG2     7.00                
 &rst
  ixpk= 0, nxpk= 0, iat= 491,  -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr2= 662, 663, 664,
 &end
#
#  34 CYS  HB3    35 GLN  HN      5.40                
 &rst
  ixpk= 0, nxpk= 0, iat= 492, 498, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,  &end
#
#  34 CYS  HB3    44 VAL  QG1    10.12                
 &rst
  ixpk= 0, nxpk= 0, iat= 492,  -1, r1= 1.30, r2= 1.80, r3=12.15, r4=12.65,
 igr2= 642, 643, 644,
 &end
#
#  34 CYS  HB3    44 VAL  QG2    10.12                
 &rst
  ixpk= 0, nxpk= 0, iat= 492,  -1, r1= 1.30, r2= 1.80, r3=12.15, r4=12.65,
 igr2= 646, 647, 648,
 &end
#
#  34 CYS  HB3    45 VAL  HA      6.00                
 &rst
  ixpk= 0, nxpk= 0, iat= 492, 654, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#  34 CYS  HB3    45 VAL  QG1     7.00                
 &rst
  ixpk= 0, nxpk= 0, iat= 492,  -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr2= 658, 659, 660,
 &end
#
#  34 CYS  HB3    45 VAL  QG2     7.00                
 &rst
  ixpk= 0, nxpk= 0, iat= 492,  -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr2= 662, 663, 664,
 &end
#
#  34 CYS  QB     35 GLN  HN      5.13                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 498, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26,
 igr1= 491, 492,
 &end
#
#  34 CYS  QB     35 GLN  HA      4.68                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 500, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75,
 igr1= 491, 492,
 &end
#
#  34 CYS  QB     44 VAL  HN      6.88                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 636, r1= 1.30, r2= 1.80, r3= 7.72, r4= 8.22,
 igr1= 491, 492,
 &end
#
#  34 CYS  QB     44 VAL  QQG     8.52                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 639, r1= 1.30, r2= 1.80, r3= 9.56, r4=10.06,
 igr1= 491, 492,
 &end
#
#  34 CYS  QB     45 VAL  HA      5.32                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 654, r1= 1.30, r2= 1.80, r3= 5.97, r4= 6.47,
 igr1= 491, 492,
 &end
#
#  34 CYS  QB     46 SER  HN      6.88                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 668, r1= 1.30, r2= 1.80, r3= 7.72, r4= 8.22,
 igr1= 491, 492,
 &end
#
#  35 GLN  HN     35 GLN  HG2     5.00                
 &rst
  ixpk= 0, nxpk= 0, iat= 498, 505, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  35 GLN  HN     35 GLN  HG3     5.00                
 &rst
  ixpk= 0, nxpk= 0, iat= 498, 506, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  35 GLN  HN     35 GLN  QG      4.77                
 &rst
  ixpk= 0, nxpk= 0, iat= 498,  -1, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85,
 igr2= 505, 506,
 &end
#
#  35 GLN  HN     36 VAL  HN      5.40                
 &rst
  ixpk= 0, nxpk= 0, iat= 498, 515, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,  &end
#
#  35 GLN  HN     43 ALA  HA      6.00                
 &rst
  ixpk= 0, nxpk= 0, iat= 498, 628, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#  35 GLN  HN     43 ALA  QB      7.00                
 &rst
  ixpk= 0, nxpk= 0, iat= 498,  -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr2= 630, 631, 632,
 &end
#
#  35 GLN  HN     44 VAL  HN      4.80                
 &rst
  ixpk= 0, nxpk= 0, iat= 498, 636, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,  &end
#
#  35 GLN  HN     44 VAL  HA      6.00                
 &rst
  ixpk= 0, nxpk= 0, iat= 498, 638, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#  35 GLN  HN     44 VAL  HB      5.90                
 &rst
  ixpk= 0, nxpk= 0, iat= 498, 640, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,  &end
#
#  35 GLN  HN     44 VAL  QQG     8.16                
 &rst
  ixpk= 0, nxpk= 0, iat= 498, 639, r1= 1.30, r2= 1.80, r3= 8.16, r4= 8.66,  &end
#
#  35 GLN  HN     45 VAL  HA      4.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 498, 654, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,  &end
#
#  35 GLN  HN     45 VAL  HB      6.00                
 &rst
  ixpk= 0, nxpk= 0, iat= 498, 656, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#  35 GLN  HN     45 VAL  QQG     7.56                
 &rst
  ixpk= 0, nxpk= 0, iat= 498, 655, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,  &end
#
#  35 GLN  HA     35 GLN  QG      3.86                
 &rst
  ixpk= 0, nxpk= 0, iat= 500,  -1, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,
 igr2= 505, 506,
 &end
#
#  35 GLN  HA     35 GLN  QE2     4.87                
 &rst
  ixpk= 0, nxpk= 0, iat= 500,  -1, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
 igr2= 510, 511,
 &end
#
#  35 GLN  HA     36 VAL  HN      3.40                
 &rst
  ixpk= 0, nxpk= 0, iat= 500, 515, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90,  &end
#
#  35 GLN  HA     36 VAL  HB      6.00                
 &rst
  ixpk= 0, nxpk= 0, iat= 500, 519, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#  35 GLN  HA     36 VAL  QQG     8.56                
 &rst
  ixpk= 0, nxpk= 0, iat= 500, 518, r1= 1.30, r2= 1.80, r3= 8.56, r4= 9.06,  &end
#
#  35 GLN  HA     44 VAL  HN      5.70                
 &rst
  ixpk= 0, nxpk= 0, iat= 500, 636, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,  &end
#
#  35 GLN  QB     43 ALA  QB      8.00                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.78, r4=11.28,
 igr1= 502, 503,
 igr2= 630, 631, 632,
 &end
#
#  35 GLN  QB     44 VAL  HN      6.40                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 636, r1= 1.30, r2= 1.80, r3= 7.18, r4= 7.68,
 igr1= 502, 503,
 &end
#
#  35 GLN  QB     44 VAL  QG1     8.00                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.78, r4=11.28,
 igr1= 502, 503,
 igr2= 642, 643, 644,
 &end
#
#  35 GLN  QB     44 VAL  QG2     8.00                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.78, r4=11.28,
 igr1= 502, 503,
 igr2= 646, 647, 648,
 &end
#
#  35 GLN  HG2    44 VAL  QG1     8.75                
 &rst
  ixpk= 0, nxpk= 0, iat= 505,  -1, r1= 1.30, r2= 1.80, r3=10.51, r4=11.01,
 igr2= 642, 643, 644,
 &end
#
#  35 GLN  HG2    44 VAL  QG2     8.75                
 &rst
  ixpk= 0, nxpk= 0, iat= 505,  -1, r1= 1.30, r2= 1.80, r3=10.51, r4=11.01,
 igr2= 646, 647, 648,
 &end
#
#  35 GLN  HG3    44 VAL  QG1     8.75                
 &rst
  ixpk= 0, nxpk= 0, iat= 506,  -1, r1= 1.30, r2= 1.80, r3=10.51, r4=11.01,
 igr2= 642, 643, 644,
 &end
#
#  35 GLN  HG3    44 VAL  QG2     8.75                
 &rst
  ixpk= 0, nxpk= 0, iat= 506,  -1, r1= 1.30, r2= 1.80, r3=10.51, r4=11.01,
 igr2= 646, 647, 648,
 &end
#
#  35 GLN  QG     44 VAL  HN      6.88                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 636, r1= 1.30, r2= 1.80, r3= 7.72, r4= 8.22,
 igr1= 505, 506,
 &end
#
#  35 GLN  QG     44 VAL  QQG     7.72                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 639, r1= 1.30, r2= 1.80, r3= 8.67, r4= 9.17,
 igr1= 505, 506,
 &end
#
#  35 GLN  HE21   44 VAL  QG1     8.23                
 &rst
  ixpk= 0, nxpk= 0, iat= 510,  -1, r1= 1.30, r2= 1.80, r3= 9.88, r4=10.38,
 igr2= 642, 643, 644,
 &end
#
#  35 GLN  HE21   44 VAL  QG2     8.23                
 &rst
  ixpk= 0, nxpk= 0, iat= 510,  -1, r1= 1.30, r2= 1.80, r3= 9.88, r4=10.38,
 igr2= 646, 647, 648,
 &end
#
#  35 GLN  HE22   44 VAL  QG1     8.23                
 &rst
  ixpk= 0, nxpk= 0, iat= 511,  -1, r1= 1.30, r2= 1.80, r3= 9.88, r4=10.38,
 igr2= 642, 643, 644,
 &end
#
#  35 GLN  HE22   44 VAL  QG2     8.23                
 &rst
  ixpk= 0, nxpk= 0, iat= 511,  -1, r1= 1.30, r2= 1.80, r3= 9.88, r4=10.38,
 igr2= 646, 647, 648,
 &end
#
#  35 GLN  QE2    44 VAL  QQG     6.84                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 639, r1= 1.30, r2= 1.80, r3= 7.68, r4= 8.18,
 igr1= 510, 511,
 &end
#
#  36 VAL  HN     36 VAL  HB      3.90                
 &rst
  ixpk= 0, nxpk= 0, iat= 515, 519, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40,  &end
#
#  36 VAL  HN     37 ASN  HN      5.50                
 &rst
  ixpk= 0, nxpk= 0, iat= 515, 531, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  36 VAL  HN     42 GLN  QG      5.68                
 &rst
  ixpk= 0, nxpk= 0, iat= 515,  -1, r1= 1.30, r2= 1.80, r3= 6.38, r4= 6.88,
 igr2= 616, 617,
 &end
#
#  36 VAL  HN     44 VAL  QQG     8.56                
 &rst
  ixpk= 0, nxpk= 0, iat= 515, 639, r1= 1.30, r2= 1.80, r3= 8.56, r4= 9.06,  &end
#
#  36 VAL  HA     37 ASN  HN      3.40                
 &rst
  ixpk= 0, nxpk= 0, iat= 517, 531, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90,  &end
#
#  36 VAL  HA     37 ASN  HB2     5.20                
 &rst
  ixpk= 0, nxpk= 0, iat= 517, 535, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,  &end
#
#  36 VAL  HA     37 ASN  HB3     5.20                
 &rst
  ixpk= 0, nxpk= 0, iat= 517, 536, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,  &end
#
#  36 VAL  HA     37 ASN  QB      4.93                
 &rst
  ixpk= 0, nxpk= 0, iat= 517,  -1, r1= 1.30, r2= 1.80, r3= 5.53, r4= 6.03,
 igr2= 535, 536,
 &end
#
#  36 VAL  HA     38 PHE  HN      6.00                
 &rst
  ixpk= 0, nxpk= 0, iat= 517, 545, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#  36 VAL  HA     42 GLN  HN      6.00                
 &rst
  ixpk= 0, nxpk= 0, iat= 517, 609, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#  36 VAL  HA     43 ALA  HA      3.90                
 &rst
  ixpk= 0, nxpk= 0, iat= 517, 628, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40,  &end
#
#  36 VAL  HA     43 ALA  QB      7.00                
 &rst
  ixpk= 0, nxpk= 0, iat= 517,  -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr2= 630, 631, 632,
 &end
#
#  36 VAL  HA     44 VAL  HN      4.70                
 &rst
  ixpk= 0, nxpk= 0, iat= 517, 636, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,  &end
#
#  36 VAL  HA     44 VAL  QQG     8.56                
 &rst
  ixpk= 0, nxpk= 0, iat= 517, 639, r1= 1.30, r2= 1.80, r3= 8.56, r4= 9.06,  &end
#
#  36 VAL  HB     37 ASN  HN      4.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 519, 531, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,  &end
#
#  36 VAL  HB     43 ALA  HA      6.00                
 &rst
  ixpk= 0, nxpk= 0, iat= 519, 628, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#  36 VAL  HB     43 ALA  QB      7.00                
 &rst
  ixpk= 0, nxpk= 0, iat= 519,  -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr2= 630, 631, 632,
 &end
#
#  36 VAL  QG1    37 ASN  HN      6.50                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 531, r1= 1.30, r2= 1.80, r3= 7.81, r4= 8.31,
 igr1= 521, 522, 523,
 &end
#
#  36 VAL  QG1    37 ASN  HA      7.00                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 533, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr1= 521, 522, 523,
 &end
#
#  36 VAL  QG1    37 ASN  HD21    9.22                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 540, r1= 1.30, r2= 1.80, r3=11.07, r4=11.57,
 igr1= 521, 522, 523,
 &end
#
#  36 VAL  QG1    37 ASN  HD22    9.22                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 541, r1= 1.30, r2= 1.80, r3=11.07, r4=11.57,
 igr1= 521, 522, 523,
 &end
#
#  36 VAL  QG2    37 ASN  HN      6.50                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 531, r1= 1.30, r2= 1.80, r3= 7.81, r4= 8.31,
 igr1= 525, 526, 527,
 &end
#
#  36 VAL  QG2    37 ASN  HA      7.00                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 533, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr1= 525, 526, 527,
 &end
#
#  36 VAL  QG2    37 ASN  HD21    9.22                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 540, r1= 1.30, r2= 1.80, r3=11.07, r4=11.57,
 igr1= 525, 526, 527,
 &end
#
#  36 VAL  QG2    37 ASN  HD22    9.22                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 541, r1= 1.30, r2= 1.80, r3=11.07, r4=11.57,
 igr1= 525, 526, 527,
 &end
#
#  36 VAL  QQG    37 ASN  HN      5.91                
 &rst
  ixpk= 0, nxpk= 0, iat= 518, 531, r1= 1.30, r2= 1.80, r3= 5.91, r4= 6.41,  &end
#
#  36 VAL  QQG    37 ASN  QD2     7.46                
 &rst
  ixpk= 0, nxpk= 0, iat= 518,  -1, r1= 1.30, r2= 1.80, r3= 8.37, r4= 8.87,
 igr2= 540, 541,
 &end
#
#  36 VAL  QQG    38 PHE  HN      8.56                
 &rst
  ixpk= 0, nxpk= 0, iat= 518, 545, r1= 1.30, r2= 1.80, r3= 8.56, r4= 9.06,  &end
#
#  36 VAL  QQG    38 PHE  QD     10.56                
 &rst
  ixpk= 0, nxpk= 0, iat= 518,  -1, r1= 1.30, r2= 1.80, r3=11.85, r4=12.35,
 igr2= 553, 561,
 &end
#
#  36 VAL  QQG    43 ALA  HA      8.56                
 &rst
  ixpk= 0, nxpk= 0, iat= 518, 628, r1= 1.30, r2= 1.80, r3= 8.56, r4= 9.06,  &end
#
#  36 VAL  QQG    43 ALA  QB      9.36                
 &rst
  ixpk= 0, nxpk= 0, iat= 518,  -1, r1= 1.30, r2= 1.80, r3=11.24, r4=11.74,
 igr2= 630, 631, 632,
 &end
#
#  36 VAL  QQG    44 VAL  HN      8.56                
 &rst
  ixpk= 0, nxpk= 0, iat= 518, 636, r1= 1.30, r2= 1.80, r3= 8.56, r4= 9.06,  &end
#
#  37 ASN  HN     37 ASN  HB2     4.20                
 &rst
  ixpk= 0, nxpk= 0, iat= 531, 535, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,  &end
#
#  37 ASN  HN     37 ASN  HB3     4.20                
 &rst
  ixpk= 0, nxpk= 0, iat= 531, 536, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,  &end
#
#  37 ASN  HN     37 ASN  ND2     5.80                
 &rst
  ixpk= 0, nxpk= 0, iat= 531,  -1, r1= 1.30, r2= 1.80, r3= 6.51, r4= 7.01,
 igr2= 540, 541,
 &end
#
#  37 ASN  HN     37 ASN  QD2     6.17                
 &rst
  ixpk= 0, nxpk= 0, iat= 531,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr2= 540, 541,
 &end
#
#  37 ASN  HN     38 PHE  HN      4.80                
 &rst
  ixpk= 0, nxpk= 0, iat= 531, 545, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,  &end
#
#  37 ASN  HN     38 PHE  HA      5.50                
 &rst
  ixpk= 0, nxpk= 0, iat= 531, 547, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  37 ASN  HN     40 LEU  QB      6.88                
 &rst
  ixpk= 0, nxpk= 0, iat= 531,  -1, r1= 1.30, r2= 1.80, r3= 7.72, r4= 8.22,
 igr2= 579, 580,
 &end
#
#  37 ASN  HN     42 GLN  HN      4.90                
 &rst
  ixpk= 0, nxpk= 0, iat= 531, 609, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,  &end
#
#  37 ASN  HN     42 GLN  HA      6.00                
 &rst
  ixpk= 0, nxpk= 0, iat= 531, 611, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#  37 ASN  HN     42 GLN  QB      6.88                
 &rst
  ixpk= 0, nxpk= 0, iat= 531,  -1, r1= 1.30, r2= 1.80, r3= 7.72, r4= 8.22,
 igr2= 613, 614,
 &end
#
#  37 ASN  HN     42 GLN  QG      6.88                
 &rst
  ixpk= 0, nxpk= 0, iat= 531,  -1, r1= 1.30, r2= 1.80, r3= 7.72, r4= 8.22,
 igr2= 616, 617,
 &end
#
#  37 ASN  HN     43 ALA  HA      4.50                
 &rst
  ixpk= 0, nxpk= 0, iat= 531, 628, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  37 ASN  HN     43 ALA  QB      7.00                
 &rst
  ixpk= 0, nxpk= 0, iat= 531,  -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr2= 630, 631, 632,
 &end
#
#  37 ASN  HN     44 VAL  QQG     8.56                
 &rst
  ixpk= 0, nxpk= 0, iat= 531, 639, r1= 1.30, r2= 1.80, r3= 8.56, r4= 9.06,  &end
#
#  37 ASN  HA     37 ASN  HD21    6.00                
 &rst
  ixpk= 0, nxpk= 0, iat= 533, 540, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#  37 ASN  HA     37 ASN  HD22    6.00                
 &rst
  ixpk= 0, nxpk= 0, iat= 533, 541, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#  37 ASN  HA     38 PHE  QB      6.88                
 &rst
  ixpk= 0, nxpk= 0, iat= 533,  -1, r1= 1.30, r2= 1.80, r3= 7.72, r4= 8.22,
 igr2= 549, 550,
 &end
#
#  37 ASN  HA     40 LEU  HN      5.40                
 &rst
  ixpk= 0, nxpk= 0, iat= 533, 575, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,  &end
#
#  37 ASN  HA     42 GLN  HN      6.00                
 &rst
  ixpk= 0, nxpk= 0, iat= 533, 609, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#  37 ASN  HB2    40 LEU  HN      6.00                
 &rst
  ixpk= 0, nxpk= 0, iat= 535, 575, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#  37 ASN  HB2    40 LEU  HG      5.30                
 &rst
  ixpk= 0, nxpk= 0, iat= 535, 582, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,  &end
#
#  37 ASN  HB2    40 LEU  QD1    10.14                
 &rst
  ixpk= 0, nxpk= 0, iat= 535,  -1, r1= 1.30, r2= 1.80, r3=12.18, r4=12.68,
 igr2= 584, 585, 586,
 &end
#
#  37 ASN  HB2    40 LEU  QD2    10.14                
 &rst
  ixpk= 0, nxpk= 0, iat= 535,  -1, r1= 1.30, r2= 1.80, r3=12.18, r4=12.68,
 igr2= 588, 589, 590,
 &end
#
#  37 ASN  HB2    42 GLN  HN      6.00                
 &rst
  ixpk= 0, nxpk= 0, iat= 535, 609, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#  37 ASN  HB3    40 LEU  HN      6.00                
 &rst
  ixpk= 0, nxpk= 0, iat= 536, 575, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#  37 ASN  HB3    40 LEU  HG      5.30                
 &rst
  ixpk= 0, nxpk= 0, iat= 536, 582, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,  &end
#
#  37 ASN  HB3    40 LEU  QD1    10.14                
 &rst
  ixpk= 0, nxpk= 0, iat= 536,  -1, r1= 1.30, r2= 1.80, r3=12.18, r4=12.68,
 igr2= 584, 585, 586,
 &end
#
#  37 ASN  HB3    40 LEU  QD2    10.14                
 &rst
  ixpk= 0, nxpk= 0, iat= 536,  -1, r1= 1.30, r2= 1.80, r3=12.18, r4=12.68,
 igr2= 588, 589, 590,
 &end
#
#  37 ASN  HB3    42 GLN  HN      6.00                
 &rst
  ixpk= 0, nxpk= 0, iat= 536, 609, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#  37 ASN  QB     40 LEU  HN      5.84                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 575, r1= 1.30, r2= 1.80, r3= 6.56, r4= 7.06,
 igr1= 535, 536,
 &end
#
#  37 ASN  QB     40 LEU  HG      5.13                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 582, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26,
 igr1= 535, 536,
 &end
#
#  37 ASN  QB     40 LEU  QQD     8.52                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 581, r1= 1.30, r2= 1.80, r3= 9.56, r4=10.06,
 igr1= 535, 536,
 &end
#
#  37 ASN  QB     41 GLU  HN      6.88                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 594, r1= 1.30, r2= 1.80, r3= 7.72, r4= 8.22,
 igr1= 535, 536,
 &end
#
#  37 ASN  QB     42 GLN  HN      5.59                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 609, r1= 1.30, r2= 1.80, r3= 6.27, r4= 6.77,
 igr1= 535, 536,
 &end
#
#  37 ASN  QB     42 GLN  QB      7.75                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.76, r4=10.26,
 igr1= 535, 536,
 igr2= 613, 614,
 &end
#
#  37 ASN  QB     44 VAL  QQG     9.44                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 639, r1= 1.30, r2= 1.80, r3=10.60, r4=11.10,
 igr1= 535, 536,
 &end
#
#  37 ASN  HD21   40 LEU  HB2     7.73                
 &rst
  ixpk= 0, nxpk= 0, iat= 540, 579, r1= 1.30, r2= 1.80, r3= 7.73, r4= 8.23,  &end
#
#  37 ASN  HD21   40 LEU  HB3     7.73                
 &rst
  ixpk= 0, nxpk= 0, iat= 540, 580, r1= 1.30, r2= 1.80, r3= 7.73, r4= 8.23,  &end
#
#  37 ASN  HD21   40 LEU  QD1    10.14                
 &rst
  ixpk= 0, nxpk= 0, iat= 540,  -1, r1= 1.30, r2= 1.80, r3=12.18, r4=12.68,
 igr2= 584, 585, 586,
 &end
#
#  37 ASN  HD21   40 LEU  QD2    10.14                
 &rst
  ixpk= 0, nxpk= 0, iat= 540,  -1, r1= 1.30, r2= 1.80, r3=12.18, r4=12.68,
 igr2= 588, 589, 590,
 &end
#
#  37 ASN  HD21   42 GLN  HG2     7.73                
 &rst
  ixpk= 0, nxpk= 0, iat= 540, 616, r1= 1.30, r2= 1.80, r3= 7.73, r4= 8.23,  &end
#
#  37 ASN  HD21   42 GLN  HG3     7.73                
 &rst
  ixpk= 0, nxpk= 0, iat= 540, 617, r1= 1.30, r2= 1.80, r3= 7.73, r4= 8.23,  &end
#
#  37 ASN  HD21   42 GLN  HE21    7.73                
 &rst
  ixpk= 0, nxpk= 0, iat= 540, 621, r1= 1.30, r2= 1.80, r3= 7.73, r4= 8.23,  &end
#
#  37 ASN  HD21   42 GLN  HE22    7.73                
 &rst
  ixpk= 0, nxpk= 0, iat= 540, 622, r1= 1.30, r2= 1.80, r3= 7.73, r4= 8.23,  &end
#
#  37 ASN  HD22   40 LEU  HB2     7.73                
 &rst
  ixpk= 0, nxpk= 0, iat= 541, 579, r1= 1.30, r2= 1.80, r3= 7.73, r4= 8.23,  &end
#
#  37 ASN  HD22   40 LEU  HB3     7.73                
 &rst
  ixpk= 0, nxpk= 0, iat= 541, 580, r1= 1.30, r2= 1.80, r3= 7.73, r4= 8.23,  &end
#
#  37 ASN  HD22   40 LEU  QD1    10.14                
 &rst
  ixpk= 0, nxpk= 0, iat= 541,  -1, r1= 1.30, r2= 1.80, r3=12.18, r4=12.68,
 igr2= 584, 585, 586,
 &end
#
#  37 ASN  HD22   40 LEU  QD2    10.14                
 &rst
  ixpk= 0, nxpk= 0, iat= 541,  -1, r1= 1.30, r2= 1.80, r3=12.18, r4=12.68,
 igr2= 588, 589, 590,
 &end
#
#  37 ASN  HD22   42 GLN  HG2     7.73                
 &rst
  ixpk= 0, nxpk= 0, iat= 541, 616, r1= 1.30, r2= 1.80, r3= 7.73, r4= 8.23,  &end
#
#  37 ASN  HD22   42 GLN  HG3     7.73                
 &rst
  ixpk= 0, nxpk= 0, iat= 541, 617, r1= 1.30, r2= 1.80, r3= 7.73, r4= 8.23,  &end
#
#  37 ASN  HD22   42 GLN  HE21    7.73                
 &rst
  ixpk= 0, nxpk= 0, iat= 541, 621, r1= 1.30, r2= 1.80, r3= 7.73, r4= 8.23,  &end
#
#  37 ASN  HD22   42 GLN  HE22    7.73                
 &rst
  ixpk= 0, nxpk= 0, iat= 541, 622, r1= 1.30, r2= 1.80, r3= 7.73, r4= 8.23,  &end
#
#  37 ASN  QD2    39 ALA  QB      7.87                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.61, r4=11.11,
 igr1= 540, 541,
 igr2= 569, 570, 571,
 &end
#
#  37 ASN  QD2    40 LEU  QB      6.36                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.01, r4= 8.51,
 igr1= 540, 541,
 igr2= 579, 580,
 &end
#
#  37 ASN  QD2    40 LEU  HG      6.87                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 582, r1= 1.30, r2= 1.80, r3= 7.71, r4= 8.21,
 igr1= 540, 541,
 &end
#
#  37 ASN  QD2    40 LEU  QQD     8.53                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 581, r1= 1.30, r2= 1.80, r3= 9.57, r4=10.07,
 igr1= 540, 541,
 &end
#
#  37 ASN  QD2    42 GLN  QG      6.47                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.15, r4= 8.65,
 igr1= 540, 541,
 igr2= 616, 617,
 &end
#
#  37 ASN  QD2    42 GLN  QE2     6.81                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.58, r4= 9.08,
 igr1= 540, 541,
 igr2= 621, 622,
 &end
#
#  37 ASN  QD2    44 VAL  QQG     9.43                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 639, r1= 1.30, r2= 1.80, r3=10.58, r4=11.08,
 igr1= 540, 541,
 &end
#
#  38 PHE  HB2    39 ALA  HN      4.70                
 &rst
  ixpk= 0, nxpk= 0, iat= 549, 565, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,  &end
#
#  38 PHE  HB3    39 ALA  HN      4.70                
 &rst
  ixpk= 0, nxpk= 0, iat= 550, 565, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,  &end
#
#  38 PHE  QB     39 ALA  HN      4.37                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 565, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,
 igr1= 549, 550,
 &end
#
#  38 PHE  QB     39 ALA  HA      6.88                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 567, r1= 1.30, r2= 1.80, r3= 7.72, r4= 8.22,
 igr1= 549, 550,
 &end
#
#  38 PHE  QB     41 GLU  HN      6.88                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 594, r1= 1.30, r2= 1.80, r3= 7.72, r4= 8.22,
 igr1= 549, 550,
 &end
#
#  38 PHE  QD     39 ALA  HN      8.00                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 565, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
 igr1= 553, 561,
 &end
#
#  38 PHE  QD     39 ALA  HA      8.00                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 567, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
 igr1= 553, 561,
 &end
#
#  38 PHE  QD     39 ALA  QB      9.00                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=12.13, r4=12.63,
 igr1= 553, 561,
 igr2= 569, 570, 571,
 &end
#
#  38 PHE  QE     39 ALA  HA      8.00                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 567, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
 igr1= 555, 559,
 &end
#
#  38 PHE  QE     39 ALA  QB      9.00                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=12.13, r4=12.63,
 igr1= 555, 559,
 igr2= 569, 570, 571,
 &end
#
#  39 ALA  HN     40 LEU  HN      4.00                
 &rst
  ixpk= 0, nxpk= 0, iat= 565, 575, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  39 ALA  HN     40 LEU  HA      4.40                
 &rst
  ixpk= 0, nxpk= 0, iat= 565, 577, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,  &end
#
#  39 ALA  HN     40 LEU  QB      4.58                
 &rst
  ixpk= 0, nxpk= 0, iat= 565,  -1, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
 igr2= 579, 580,
 &end
#
#  39 ALA  HN     40 LEU  HG      6.00                
 &rst
  ixpk= 0, nxpk= 0, iat= 565, 582, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#  39 ALA  HN     40 LEU  QD1     7.00                
 &rst
  ixpk= 0, nxpk= 0, iat= 565,  -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr2= 584, 585, 586,
 &end
#
#  39 ALA  HN     40 LEU  QD2     7.00                
 &rst
  ixpk= 0, nxpk= 0, iat= 565,  -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr2= 588, 589, 590,
 &end
#
#  39 ALA  HN     41 GLU  HN      5.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 565, 594, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,  &end
#
#  39 ALA  HN     41 GLU  QG      6.88                
 &rst
  ixpk= 0, nxpk= 0, iat= 565,  -1, r1= 1.30, r2= 1.80, r3= 7.72, r4= 8.22,
 igr2= 601, 602,
 &end
#
#  39 ALA  HA     40 LEU  HA      6.00                
 &rst
  ixpk= 0, nxpk= 0, iat= 567, 577, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#  39 ALA  HA     41 GLU  HN      5.70                
 &rst
  ixpk= 0, nxpk= 0, iat= 567, 594, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,  &end
#
#  39 ALA  QB     40 LEU  HN      4.00                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 575, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1= 569, 570, 571,
 &end
#
#  39 ALA  QB     40 LEU  HA      5.20                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 577, r1= 1.30, r2= 1.80, r3= 6.24, r4= 6.74,
 igr1= 569, 570, 571,
 &end
#
#  39 ALA  QB     41 GLU  HN      5.00                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 594, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 569, 570, 571,
 &end
#
#  40 LEU  HN     40 LEU  QB      3.71                
 &rst
  ixpk= 0, nxpk= 0, iat= 575,  -1, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66,
 igr2= 579, 580,
 &end
#
#  40 LEU  HN     40 LEU  HG      3.70                
 &rst
  ixpk= 0, nxpk= 0, iat= 575, 582, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,  &end
#
#  40 LEU  HN     40 LEU  QD1     5.80                
 &rst
  ixpk= 0, nxpk= 0, iat= 575,  -1, r1= 1.30, r2= 1.80, r3= 6.97, r4= 7.47,
 igr2= 584, 585, 586,
 &end
#
#  40 LEU  HN     40 LEU  QD2     5.80                
 &rst
  ixpk= 0, nxpk= 0, iat= 575,  -1, r1= 1.30, r2= 1.80, r3= 6.97, r4= 7.47,
 igr2= 588, 589, 590,
 &end
#
#  40 LEU  HN     40 LEU  QQD     4.95                
 &rst
  ixpk= 0, nxpk= 0, iat= 575, 581, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,  &end
#
#  40 LEU  HN     41 GLU  HN      3.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 575, 594, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,  &end
#
#  40 LEU  HN     41 GLU  HA      5.10                
 &rst
  ixpk= 0, nxpk= 0, iat= 575, 596, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,  &end
#
#  40 LEU  HN     41 GLU  HG2     6.00                
 &rst
  ixpk= 0, nxpk= 0, iat= 575, 601, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#  40 LEU  HN     41 GLU  HG3     6.00                
 &rst
  ixpk= 0, nxpk= 0, iat= 575, 602, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#  40 LEU  HN     42 GLN  QG      6.88                
 &rst
  ixpk= 0, nxpk= 0, iat= 575,  -1, r1= 1.30, r2= 1.80, r3= 7.72, r4= 8.22,
 igr2= 616, 617,
 &end
#
#  40 LEU  HA     40 LEU  QD1     5.20                
 &rst
  ixpk= 0, nxpk= 0, iat= 577,  -1, r1= 1.30, r2= 1.80, r3= 6.24, r4= 6.74,
 igr2= 584, 585, 586,
 &end
#
#  40 LEU  HA     40 LEU  QD2     5.20                
 &rst
  ixpk= 0, nxpk= 0, iat= 577,  -1, r1= 1.30, r2= 1.80, r3= 6.24, r4= 6.74,
 igr2= 588, 589, 590,
 &end
#
#  40 LEU  HA     41 GLU  QG      6.48                
 &rst
  ixpk= 0, nxpk= 0, iat= 577,  -1, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr2= 601, 602,
 &end
#
#  40 LEU  HA     42 GLN  HN      5.70                
 &rst
  ixpk= 0, nxpk= 0, iat= 577, 609, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,  &end
#
#  40 LEU  HB2    42 GLN  HN      6.00                
 &rst
  ixpk= 0, nxpk= 0, iat= 579, 609, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#  40 LEU  HB2    42 GLN  HE21    7.73                
 &rst
  ixpk= 0, nxpk= 0, iat= 579, 621, r1= 1.30, r2= 1.80, r3= 7.73, r4= 8.23,  &end
#
#  40 LEU  HB2    42 GLN  HE22    7.73                
 &rst
  ixpk= 0, nxpk= 0, iat= 579, 622, r1= 1.30, r2= 1.80, r3= 7.73, r4= 8.23,  &end
#
#  40 LEU  HB3    42 GLN  HN      6.00                
 &rst
  ixpk= 0, nxpk= 0, iat= 580, 609, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#  40 LEU  HB3    42 GLN  HE21    7.73                
 &rst
  ixpk= 0, nxpk= 0, iat= 580, 621, r1= 1.30, r2= 1.80, r3= 7.73, r4= 8.23,  &end
#
#  40 LEU  HB3    42 GLN  HE22    7.73                
 &rst
  ixpk= 0, nxpk= 0, iat= 580, 622, r1= 1.30, r2= 1.80, r3= 7.73, r4= 8.23,  &end
#
#  40 LEU  QB     41 GLU  HN      5.08                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 594, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,
 igr1= 579, 580,
 &end
#
#  40 LEU  QB     41 GLU  HA      6.38                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 596, r1= 1.30, r2= 1.80, r3= 7.16, r4= 7.66,
 igr1= 579, 580,
 &end
#
#  40 LEU  QB     41 GLU  QB      7.88                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.93, r4=10.43,
 igr1= 579, 580,
 igr2= 598, 599,
 &end
#
#  40 LEU  QB     42 GLN  HN      5.59                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 609, r1= 1.30, r2= 1.80, r3= 6.27, r4= 6.77,
 igr1= 579, 580,
 &end
#
#  40 LEU  QB     42 GLN  QE2     6.81                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.58, r4= 9.08,
 igr1= 579, 580,
 igr2= 621, 622,
 &end
#
#  40 LEU  HG     41 GLU  HN      6.00                
 &rst
  ixpk= 0, nxpk= 0, iat= 582, 594, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#  40 LEU  HG     42 GLN  HN      6.00                
 &rst
  ixpk= 0, nxpk= 0, iat= 582, 609, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#  40 LEU  HG     42 GLN  HA      6.00                
 &rst
  ixpk= 0, nxpk= 0, iat= 582, 611, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#  40 LEU  HG     42 GLN  QB      6.18                
 &rst
  ixpk= 0, nxpk= 0, iat= 582,  -1, r1= 1.30, r2= 1.80, r3= 6.94, r4= 7.44,
 igr2= 613, 614,
 &end
#
#  40 LEU  QD1    42 GLN  HN      7.00                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 609, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr1= 584, 585, 586,
 &end
#
#  40 LEU  QD1    42 GLN  HE21   10.14                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 621, r1= 1.30, r2= 1.80, r3=12.18, r4=12.68,
 igr1= 584, 585, 586,
 &end
#
#  40 LEU  QD1    42 GLN  HE22   10.14                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 622, r1= 1.30, r2= 1.80, r3=12.18, r4=12.68,
 igr1= 584, 585, 586,
 &end
#
#  40 LEU  QD2    42 GLN  HN      7.00                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 609, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr1= 588, 589, 590,
 &end
#
#  40 LEU  QD2    42 GLN  HE21   10.14                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 621, r1= 1.30, r2= 1.80, r3=12.18, r4=12.68,
 igr1= 588, 589, 590,
 &end
#
#  40 LEU  QD2    42 GLN  HE22   10.14                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 622, r1= 1.30, r2= 1.80, r3=12.18, r4=12.68,
 igr1= 588, 589, 590,
 &end
#
#  40 LEU  QQD    41 GLU  HN      8.57                
 &rst
  ixpk= 0, nxpk= 0, iat= 581, 594, r1= 1.30, r2= 1.80, r3= 8.57, r4= 9.07,  &end
#
#  40 LEU  QQD    41 GLU  HA      8.37                
 &rst
  ixpk= 0, nxpk= 0, iat= 581, 596, r1= 1.30, r2= 1.80, r3= 8.37, r4= 8.87,  &end
#
#  40 LEU  QQD    42 GLN  HA      8.57                
 &rst
  ixpk= 0, nxpk= 0, iat= 581, 611, r1= 1.30, r2= 1.80, r3= 8.57, r4= 9.07,  &end
#
#  40 LEU  QQD    42 GLN  QE2     8.53                
 &rst
  ixpk= 0, nxpk= 0, iat= 581,  -1, r1= 1.30, r2= 1.80, r3= 9.57, r4=10.07,
 igr2= 621, 622,
 &end
#
#  40 LEU  QQD    43 ALA  HN      8.37                
 &rst
  ixpk= 0, nxpk= 0, iat= 581, 626, r1= 1.30, r2= 1.80, r3= 8.37, r4= 8.87,  &end
#
#  41 GLU  HN     41 GLU  HG2     3.70                
 &rst
  ixpk= 0, nxpk= 0, iat= 594, 601, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,  &end
#
#  41 GLU  HN     41 GLU  HG3     3.70                
 &rst
  ixpk= 0, nxpk= 0, iat= 594, 602, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,  &end
#
#  41 GLU  HN     42 GLN  HN      3.70                
 &rst
  ixpk= 0, nxpk= 0, iat= 594, 609, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,  &end
#
#  41 GLU  HA     41 GLU  HG2     4.00                
 &rst
  ixpk= 0, nxpk= 0, iat= 596, 601, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  41 GLU  HA     41 GLU  HG3     4.00                
 &rst
  ixpk= 0, nxpk= 0, iat= 596, 602, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  41 GLU  HG2    42 GLN  HN      5.40                
 &rst
  ixpk= 0, nxpk= 0, iat= 601, 609, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,  &end
#
#  41 GLU  HG3    42 GLN  HN      5.40                
 &rst
  ixpk= 0, nxpk= 0, iat= 602, 609, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,  &end
#
#  41 GLU  QG     42 GLN  HN      5.13                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 609, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26,
 igr1= 601, 602,
 &end
#
#  42 GLN  HN     42 GLN  HG2     4.90                
 &rst
  ixpk= 0, nxpk= 0, iat= 609, 616, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,  &end
#
#  42 GLN  HN     42 GLN  HG3     4.90                
 &rst
  ixpk= 0, nxpk= 0, iat= 609, 617, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,  &end
#
#  42 GLN  HN     42 GLN  QG      4.62                
 &rst
  ixpk= 0, nxpk= 0, iat= 609,  -1, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,
 igr2= 616, 617,
 &end
#
#  42 GLN  HN     42 GLN  HE21    4.10                
 &rst
  ixpk= 0, nxpk= 0, iat= 609, 621, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,  &end
#
#  42 GLN  HN     42 GLN  HE22    4.10                
 &rst
  ixpk= 0, nxpk= 0, iat= 609, 622, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,  &end
#
#  42 GLN  HN     42 GLN  QE2     3.44                
 &rst
  ixpk= 0, nxpk= 0, iat= 609,  -1, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36,
 igr2= 621, 622,
 &end
#
#  42 GLN  HN     43 ALA  HN      5.30                
 &rst
  ixpk= 0, nxpk= 0, iat= 609, 626, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,  &end
#
#  42 GLN  HN     43 ALA  QB      6.50                
 &rst
  ixpk= 0, nxpk= 0, iat= 609,  -1, r1= 1.30, r2= 1.80, r3= 7.81, r4= 8.31,
 igr2= 630, 631, 632,
 &end
#
#  42 GLN  HA     42 GLN  NE2     6.00                
 &rst
  ixpk= 0, nxpk= 0, iat= 611,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 621, 622,
 &end
#
#  42 GLN  HA     42 GLN  HE21    6.00                
 &rst
  ixpk= 0, nxpk= 0, iat= 611, 621, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#  42 GLN  HA     42 GLN  HE22    6.00                
 &rst
  ixpk= 0, nxpk= 0, iat= 611, 622, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#  42 GLN  HA     43 ALA  HN      3.50                
 &rst
  ixpk= 0, nxpk= 0, iat= 611, 626, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  42 GLN  HA     43 ALA  HA      5.00                
 &rst
  ixpk= 0, nxpk= 0, iat= 611, 628, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  42 GLN  HA     43 ALA  QB      7.00                
 &rst
  ixpk= 0, nxpk= 0, iat= 611,  -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr2= 630, 631, 632,
 &end
#
#  42 GLN  HB2    42 GLN  HE21    5.90                
 &rst
  ixpk= 0, nxpk= 0, iat= 613, 621, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,  &end
#
#  42 GLN  HB2    42 GLN  HE22    5.90                
 &rst
  ixpk= 0, nxpk= 0, iat= 613, 622, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,  &end
#
#  42 GLN  HB2    43 ALA  HN      4.20                
 &rst
  ixpk= 0, nxpk= 0, iat= 613, 626, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,  &end
#
#  42 GLN  HB2    44 VAL  QG1    10.12                
 &rst
  ixpk= 0, nxpk= 0, iat= 613,  -1, r1= 1.30, r2= 1.80, r3=12.15, r4=12.65,
 igr2= 642, 643, 644,
 &end
#
#  42 GLN  HB2    44 VAL  QG2    10.12                
 &rst
  ixpk= 0, nxpk= 0, iat= 613,  -1, r1= 1.30, r2= 1.80, r3=12.15, r4=12.65,
 igr2= 646, 647, 648,
 &end
#
#  42 GLN  HB3    42 GLN  HE21    5.90                
 &rst
  ixpk= 0, nxpk= 0, iat= 614, 621, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,  &end
#
#  42 GLN  HB3    42 GLN  HE22    5.90                
 &rst
  ixpk= 0, nxpk= 0, iat= 614, 622, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,  &end
#
#  42 GLN  HB3    43 ALA  HN      4.20                
 &rst
  ixpk= 0, nxpk= 0, iat= 614, 626, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,  &end
#
#  42 GLN  HB3    44 VAL  QG1    10.12                
 &rst
  ixpk= 0, nxpk= 0, iat= 614,  -1, r1= 1.30, r2= 1.80, r3=12.15, r4=12.65,
 igr2= 642, 643, 644,
 &end
#
#  42 GLN  HB3    44 VAL  QG2    10.12                
 &rst
  ixpk= 0, nxpk= 0, iat= 614,  -1, r1= 1.30, r2= 1.80, r3=12.15, r4=12.65,
 igr2= 646, 647, 648,
 &end
#
#  42 GLN  QB     43 ALA  HA      6.38                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 628, r1= 1.30, r2= 1.80, r3= 7.16, r4= 7.66,
 igr1= 613, 614,
 &end
#
#  42 GLN  QB     44 VAL  QQG     8.52                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 639, r1= 1.30, r2= 1.80, r3= 9.56, r4=10.06,
 igr1= 613, 614,
 &end
#
#  42 GLN  HG2    43 ALA  HN      6.00                
 &rst
  ixpk= 0, nxpk= 0, iat= 616, 626, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#  42 GLN  HG3    43 ALA  HN      6.00                
 &rst
  ixpk= 0, nxpk= 0, iat= 617, 626, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#  42 GLN  QG     44 VAL  HN      6.88                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 636, r1= 1.30, r2= 1.80, r3= 7.72, r4= 8.22,
 igr1= 616, 617,
 &end
#
#  42 GLN  HE21   44 VAL  QG1    10.12                
 &rst
  ixpk= 0, nxpk= 0, iat= 621,  -1, r1= 1.30, r2= 1.80, r3=12.15, r4=12.65,
 igr2= 642, 643, 644,
 &end
#
#  42 GLN  HE21   44 VAL  QG2    10.12                
 &rst
  ixpk= 0, nxpk= 0, iat= 621,  -1, r1= 1.30, r2= 1.80, r3=12.15, r4=12.65,
 igr2= 646, 647, 648,
 &end
#
#  42 GLN  HE22   44 VAL  QG1    10.12                
 &rst
  ixpk= 0, nxpk= 0, iat= 622,  -1, r1= 1.30, r2= 1.80, r3=12.15, r4=12.65,
 igr2= 642, 643, 644,
 &end
#
#  42 GLN  HE22   44 VAL  QG2    10.12                
 &rst
  ixpk= 0, nxpk= 0, iat= 622,  -1, r1= 1.30, r2= 1.80, r3=12.15, r4=12.65,
 igr2= 646, 647, 648,
 &end
#
#  42 GLN  QE2    44 VAL  QQG     8.52                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 639, r1= 1.30, r2= 1.80, r3= 9.56, r4=10.06,
 igr1= 621, 622,
 &end
#
#  43 ALA  HN     44 VAL  HN      5.20                
 &rst
  ixpk= 0, nxpk= 0, iat= 626, 636, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,  &end
#
#  43 ALA  HN     44 VAL  QQG     8.56                
 &rst
  ixpk= 0, nxpk= 0, iat= 626, 639, r1= 1.30, r2= 1.80, r3= 8.56, r4= 9.06,  &end
#
#  43 ALA  HA     44 VAL  HA      4.40                
 &rst
  ixpk= 0, nxpk= 0, iat= 628, 638, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,  &end
#
#  43 ALA  HA     44 VAL  QG1     7.00                
 &rst
  ixpk= 0, nxpk= 0, iat= 628,  -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr2= 642, 643, 644,
 &end
#
#  43 ALA  HA     44 VAL  QG2     7.00                
 &rst
  ixpk= 0, nxpk= 0, iat= 628,  -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr2= 646, 647, 648,
 &end
#
#  43 ALA  QB     44 VAL  HN      4.30                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 636, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
 igr1= 630, 631, 632,
 &end
#
#  43 ALA  QB     44 VAL  HA      5.10                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 638, r1= 1.30, r2= 1.80, r3= 6.12, r4= 6.62,
 igr1= 630, 631, 632,
 &end
#
#  44 VAL  HN     44 VAL  HB      3.70                
 &rst
  ixpk= 0, nxpk= 0, iat= 636, 640, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,  &end
#
#  44 VAL  HN     45 VAL  HN      5.90                
 &rst
  ixpk= 0, nxpk= 0, iat= 636, 652, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,  &end
#
#  44 VAL  HA     45 VAL  QQG     8.56                
 &rst
  ixpk= 0, nxpk= 0, iat= 638, 655, r1= 1.30, r2= 1.80, r3= 8.56, r4= 9.06,  &end
#
#  44 VAL  HA     47 TYR  QE      8.00                
 &rst
  ixpk= 0, nxpk= 0, iat= 638,  -1, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
 igr2= 689, 694,
 &end
#
#  44 VAL  QQG    45 VAL  HA      4.96                
 &rst
  ixpk= 0, nxpk= 0, iat= 639, 654, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,  &end
#
#  45 VAL  HN     45 VAL  QG1     4.70                
 &rst
  ixpk= 0, nxpk= 0, iat= 652,  -1, r1= 1.30, r2= 1.80, r3= 5.64, r4= 6.14,
 igr2= 658, 659, 660,
 &end
#
#  45 VAL  HN     45 VAL  QG2     4.70                
 &rst
  ixpk= 0, nxpk= 0, iat= 652,  -1, r1= 1.30, r2= 1.80, r3= 5.64, r4= 6.14,
 igr2= 662, 663, 664,
 &end
#
#  45 VAL  HN     45 VAL  QQG     3.93                
 &rst
  ixpk= 0, nxpk= 0, iat= 652, 655, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,  &end
#
#  45 VAL  HN     46 SER  HN      5.00                
 &rst
  ixpk= 0, nxpk= 0, iat= 652, 668, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  45 VAL  HA     45 VAL  QG1     3.40                
 &rst
  ixpk= 0, nxpk= 0, iat= 654,  -1, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58,
 igr2= 658, 659, 660,
 &end
#
#  45 VAL  HA     45 VAL  QG2     3.40                
 &rst
  ixpk= 0, nxpk= 0, iat= 654,  -1, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58,
 igr2= 662, 663, 664,
 &end
#
#  45 VAL  HA     46 SER  HA      5.70                
 &rst
  ixpk= 0, nxpk= 0, iat= 654, 670, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,  &end
#
#  45 VAL  HB     46 SER  HN      4.50                
 &rst
  ixpk= 0, nxpk= 0, iat= 656, 668, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  45 VAL  HB     46 SER  QB      6.88                
 &rst
  ixpk= 0, nxpk= 0, iat= 656,  -1, r1= 1.30, r2= 1.80, r3= 7.72, r4= 8.22,
 igr2= 672, 673,
 &end
#
#  45 VAL  QG1    46 SER  HN      5.70                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 668, r1= 1.30, r2= 1.80, r3= 6.85, r4= 7.35,
 igr1= 658, 659, 660,
 &end
#
#  45 VAL  QG1    46 SER  HA      7.00                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 670, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr1= 658, 659, 660,
 &end
#
#  45 VAL  QG1    47 TYR  HB2    10.12                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 683, r1= 1.30, r2= 1.80, r3=12.15, r4=12.65,
 igr1= 658, 659, 660,
 &end
#
#  45 VAL  QG1    47 TYR  HB3    10.12                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 684, r1= 1.30, r2= 1.80, r3=12.15, r4=12.65,
 igr1= 658, 659, 660,
 &end
#
#  45 VAL  QG2    46 SER  HN      5.70                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 668, r1= 1.30, r2= 1.80, r3= 6.85, r4= 7.35,
 igr1= 662, 663, 664,
 &end
#
#  45 VAL  QG2    46 SER  HA      7.00                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 670, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr1= 662, 663, 664,
 &end
#
#  45 VAL  QG2    47 TYR  HB2    10.12                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 683, r1= 1.30, r2= 1.80, r3=12.15, r4=12.65,
 igr1= 662, 663, 664,
 &end
#
#  45 VAL  QG2    47 TYR  HB3    10.12                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 684, r1= 1.30, r2= 1.80, r3=12.15, r4=12.65,
 igr1= 662, 663, 664,
 &end
#
#  45 VAL  QQG    46 SER  HN      5.38                
 &rst
  ixpk= 0, nxpk= 0, iat= 655, 668, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88,  &end
#
#  45 VAL  QQG    47 TYR  HN      8.56                
 &rst
  ixpk= 0, nxpk= 0, iat= 655, 679, r1= 1.30, r2= 1.80, r3= 8.56, r4= 9.06,  &end
#
#  45 VAL  QQG    47 TYR  HA      8.56                
 &rst
  ixpk= 0, nxpk= 0, iat= 655, 681, r1= 1.30, r2= 1.80, r3= 8.56, r4= 9.06,  &end
#
#  45 VAL  QQG    47 TYR  QB      8.52                
 &rst
  ixpk= 0, nxpk= 0, iat= 655,  -1, r1= 1.30, r2= 1.80, r3= 9.56, r4=10.06,
 igr2= 683, 684,
 &end
#
#  45 VAL  QQG    56 LEU  QB      9.36                
 &rst
  ixpk= 0, nxpk= 0, iat= 655,  -1, r1= 1.30, r2= 1.80, r3=10.51, r4=11.01,
 igr2= 821, 822,
 &end
#
#  45 VAL  QQG    56 LEU  QQD    11.13                
 &rst
  ixpk= 0, nxpk= 0, iat= 655, 823, r1= 1.30, r2= 1.80, r3=11.13, r4=11.63,  &end
#
#  46 SER  HN     47 TYR  QB      5.68                
 &rst
  ixpk= 0, nxpk= 0, iat= 668,  -1, r1= 1.30, r2= 1.80, r3= 6.38, r4= 6.88,
 igr2= 683, 684,
 &end
#
#  46 SER  HN     47 TYR  QD      8.00                
 &rst
  ixpk= 0, nxpk= 0, iat= 668,  -1, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
 igr2= 687, 696,
 &end
#
#  46 SER  HA     47 TYR  QD      8.00                
 &rst
  ixpk= 0, nxpk= 0, iat= 670,  -1, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
 igr2= 687, 696,
 &end
#
#  46 SER  HB2    47 TYR  HN      5.30                
 &rst
  ixpk= 0, nxpk= 0, iat= 672, 679, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,  &end
#
#  46 SER  HB3    47 TYR  HN      5.30                
 &rst
  ixpk= 0, nxpk= 0, iat= 673, 679, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,  &end
#
#  46 SER  QB     47 TYR  QE      8.88                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=11.19, r4=11.69,
 igr1= 672, 673,
 igr2= 689, 694,
 &end
#
#  47 TYR  HN     47 TYR  QE      6.90                
 &rst
  ixpk= 0, nxpk= 0, iat= 679,  -1, r1= 1.30, r2= 1.80, r3= 7.74, r4= 8.24,
 igr2= 689, 694,
 &end
#
#  47 TYR  HA     48 HIST QB      7.00                
 &rst
  ixpk= 0, nxpk= 0, iat= 681,  -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr2= 704, 705,
 &end
#
#  47 TYR  HB2    48 HIST HN      4.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 683, 700, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,  &end
#
#  47 TYR  HB3    48 HIST HN      4.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 684, 700, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,  &end
#
#  47 TYR  QB     48 HIST HN      4.32                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 700, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
 igr1= 683, 684,
 &end
#
#  47 TYR  QD     48 HIST HN      8.00                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 700, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
 igr1= 687, 696,
 &end
#
#  47 TYR  QD     48 HIST HA      8.00                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 702, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
 igr1= 687, 696,
 &end
#
#  47 TYR  QD     56 LEU  QD1     9.00                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=12.13, r4=12.63,
 igr1= 687, 696,
 igr2= 826, 827, 828,
 &end
#
#  47 TYR  QD     56 LEU  QD2     9.00                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=12.13, r4=12.63,
 igr1= 687, 696,
 igr2= 830, 831, 832,
 &end
#
#  47 TYR  QE     56 LEU  QD1     9.00                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=12.13, r4=12.63,
 igr1= 689, 694,
 igr2= 826, 827, 828,
 &end
#
#  47 TYR  QE     56 LEU  QD2     9.00                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=12.13, r4=12.63,
 igr1= 689, 694,
 igr2= 830, 831, 832,
 &end
#
#  48 HIST HN     48 HIST HD2     5.50                
 &rst
  ixpk= 0, nxpk= 0, iat= 700, 713, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  48 HIST HN     48 HIST HE1     6.00                
 &rst
  ixpk= 0, nxpk= 0, iat= 700, 709, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#  48 HIST HA     48 HIST HD2     6.00                
 &rst
  ixpk= 0, nxpk= 0, iat= 702, 713, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#  48 HIST HA     48 HIST HE1     6.00                
 &rst
  ixpk= 0, nxpk= 0, iat= 702, 709, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#  48 HIST HE1    57 THR  HN      6.00                
 &rst
  ixpk= 0, nxpk= 0, iat= 709, 836, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#  54 GLN  HN     54 GLN  QB      3.90                
 &rst
  ixpk= 0, nxpk= 0, iat= 781,  -1, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,
 igr2= 785, 786,
 &end
#
#  54 GLN  HN     54 GLN  HG2     6.00                
 &rst
  ixpk= 0, nxpk= 0, iat= 781, 788, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#  54 GLN  HN     54 GLN  HG3     6.00                
 &rst
  ixpk= 0, nxpk= 0, iat= 781, 789, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#  54 GLN  HN     54 GLN  QG      5.59                
 &rst
  ixpk= 0, nxpk= 0, iat= 781,  -1, r1= 1.30, r2= 1.80, r3= 6.27, r4= 6.77,
 igr2= 788, 789,
 &end
#
#  54 GLN  HN     55 ILE  HN      4.90                
 &rst
  ixpk= 0, nxpk= 0, iat= 781, 798, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,  &end
#
#  54 GLN  HA     54 GLN  HE21    6.00                
 &rst
  ixpk= 0, nxpk= 0, iat= 783, 793, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#  54 GLN  HA     54 GLN  HE22    6.00                
 &rst
  ixpk= 0, nxpk= 0, iat= 783, 794, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#  54 GLN  QB     56 LEU  HN      6.20                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 817, r1= 1.30, r2= 1.80, r3= 6.96, r4= 7.46,
 igr1= 785, 786,
 &end
#
#  54 GLN  HG2    55 ILE  HN      6.00                
 &rst
  ixpk= 0, nxpk= 0, iat= 788, 798, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#  54 GLN  HG2    56 LEU  HN      6.00                
 &rst
  ixpk= 0, nxpk= 0, iat= 788, 817, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#  54 GLN  HG3    55 ILE  HN      6.00                
 &rst
  ixpk= 0, nxpk= 0, iat= 789, 798, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#  54 GLN  HG3    56 LEU  HN      6.00                
 &rst
  ixpk= 0, nxpk= 0, iat= 789, 817, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#  55 ILE  HN     55 ILE  HB      2.50                
 &rst
  ixpk= 0, nxpk= 0, iat= 798, 802, r1= 1.30, r2= 1.80, r3= 2.50, r4= 3.00,  &end
#
#  55 ILE  HN     55 ILE  HG12    4.30                
 &rst
  ixpk= 0, nxpk= 0, iat= 798, 808, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,  &end
#
#  55 ILE  HN     55 ILE  HG13    4.30                
 &rst
  ixpk= 0, nxpk= 0, iat= 798, 809, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,  &end
#
#  55 ILE  HN     55 ILE  QG1     3.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 798,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr2= 808, 809,
 &end
#
#  55 ILE  HN     55 ILE  QD1     4.20                
 &rst
  ixpk= 0, nxpk= 0, iat= 798,  -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr2= 811, 812, 813,
 &end
#
#  55 ILE  HN     56 LEU  HN      4.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 798, 817, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,  &end
#
#  55 ILE  HN     56 LEU  QD1     7.00                
 &rst
  ixpk= 0, nxpk= 0, iat= 798,  -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr2= 826, 827, 828,
 &end
#
#  55 ILE  HN     56 LEU  QD2     7.00                
 &rst
  ixpk= 0, nxpk= 0, iat= 798,  -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr2= 830, 831, 832,
 &end
#
#  55 ILE  HN     57 THR  HN      5.00                
 &rst
  ixpk= 0, nxpk= 0, iat= 798, 836, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  55 ILE  HA     56 LEU  HN      3.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 800, 817, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,  &end
#
#  55 ILE  HA     57 THR  HN      5.80                
 &rst
  ixpk= 0, nxpk= 0, iat= 800, 836, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,  &end
#
#  55 ILE  HA     58 ASP  HN      6.00                
 &rst
  ixpk= 0, nxpk= 0, iat= 800, 850, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#  55 ILE  QG2    56 LEU  HN      5.80                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 817, r1= 1.30, r2= 1.80, r3= 6.97, r4= 7.47,
 igr1= 804, 805, 806,
 &end
#
#  55 ILE  QG2    56 LEU  HA      7.00                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 819, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr1= 804, 805, 806,
 &end
#
#  55 ILE  QG2    58 ASP  HN      7.00                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 850, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr1= 804, 805, 806,
 &end
#
#  55 ILE  QG2    59 ALA  QB      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.52, r4=10.02,
 igr1= 804, 805, 806,
 igr2= 866, 867, 868,
 &end
#
#  55 ILE  QG1    56 LEU  HN      5.78                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 817, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
 igr1= 808, 809,
 &end
#
#  55 ILE  QG1    57 THR  HN      6.88                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 836, r1= 1.30, r2= 1.80, r3= 7.72, r4= 8.22,
 igr1= 808, 809,
 &end
#
#  55 ILE  QG1    58 ASP  HN      6.88                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 850, r1= 1.30, r2= 1.80, r3= 7.72, r4= 8.22,
 igr1= 808, 809,
 &end
#
#  55 ILE  QD1    56 LEU  HN      5.80                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 817, r1= 1.30, r2= 1.80, r3= 6.97, r4= 7.47,
 igr1= 811, 812, 813,
 &end
#
#  55 ILE  QD1    56 LEU  HA      7.00                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 819, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr1= 811, 812, 813,
 &end
#
#  56 LEU  HN     56 LEU  HG      3.20                
 &rst
  ixpk= 0, nxpk= 0, iat= 817, 824, r1= 1.30, r2= 1.80, r3= 3.20, r4= 3.70,  &end
#
#  56 LEU  HN     56 LEU  QD1     5.80                
 &rst
  ixpk= 0, nxpk= 0, iat= 817,  -1, r1= 1.30, r2= 1.80, r3= 6.97, r4= 7.47,
 igr2= 826, 827, 828,
 &end
#
#  56 LEU  HN     56 LEU  QD2     5.80                
 &rst
  ixpk= 0, nxpk= 0, iat= 817,  -1, r1= 1.30, r2= 1.80, r3= 6.97, r4= 7.47,
 igr2= 830, 831, 832,
 &end
#
#  56 LEU  HN     57 THR  HN      5.90                
 &rst
  ixpk= 0, nxpk= 0, iat= 817, 836, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,  &end
#
#  56 LEU  HN     59 ALA  HN      5.80                
 &rst
  ixpk= 0, nxpk= 0, iat= 817, 862, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,  &end
#
#  56 LEU  HA     56 LEU  QD1     5.40                
 &rst
  ixpk= 0, nxpk= 0, iat= 819,  -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
 igr2= 826, 827, 828,
 &end
#
#  56 LEU  HA     56 LEU  QD2     5.40                
 &rst
  ixpk= 0, nxpk= 0, iat= 819,  -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
 igr2= 830, 831, 832,
 &end
#
#  56 LEU  HA     58 ASP  HN      5.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 819, 850, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,  &end
#
#  56 LEU  HA     59 ALA  HN      5.90                
 &rst
  ixpk= 0, nxpk= 0, iat= 819, 862, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,  &end
#
#  56 LEU  QB     58 ASP  HN      7.00                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 850, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1= 821, 822,
 &end
#
#  56 LEU  HG     67 ALA  QB      7.00                
 &rst
  ixpk= 0, nxpk= 0, iat= 824,  -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr2= 987, 988, 989,
 &end
#
#  56 LEU  QQD    57 THR  HN      8.57                
 &rst
  ixpk= 0, nxpk= 0, iat= 823, 836, r1= 1.30, r2= 1.80, r3= 8.57, r4= 9.07,  &end
#
#  57 THR  HN     58 ASP  HN      4.90                
 &rst
  ixpk= 0, nxpk= 0, iat= 836, 850, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,  &end
#
#  58 ASP  HN     59 ALA  HN      5.00                
 &rst
  ixpk= 0, nxpk= 0, iat= 850, 862, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  58 ASP  HN     60 VAL  QQG     8.56                
 &rst
  ixpk= 0, nxpk= 0, iat= 850, 875, r1= 1.30, r2= 1.80, r3= 8.56, r4= 9.06,  &end
#
#  58 ASP  HA     61 GLU  HN      4.90                
 &rst
  ixpk= 0, nxpk= 0, iat= 852, 888, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,  &end
#
#  58 ASP  HA     61 GLU  HB2     4.40                
 &rst
  ixpk= 0, nxpk= 0, iat= 852, 892, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,  &end
#
#  58 ASP  HA     61 GLU  HB3     4.40                
 &rst
  ixpk= 0, nxpk= 0, iat= 852, 893, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,  &end
#
#  58 ASP  HA     61 GLU  QB      4.16                
 &rst
  ixpk= 0, nxpk= 0, iat= 852,  -1, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,
 igr2= 892, 893,
 &end
#
#  58 ASP  HA     61 GLU  HG2     6.00                
 &rst
  ixpk= 0, nxpk= 0, iat= 852, 895, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#  58 ASP  HA     61 GLU  HG3     6.00                
 &rst
  ixpk= 0, nxpk= 0, iat= 852, 896, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#  58 ASP  HA     61 GLU  QG      5.64                
 &rst
  ixpk= 0, nxpk= 0, iat= 852,  -1, r1= 1.30, r2= 1.80, r3= 6.33, r4= 6.83,
 igr2= 895, 896,
 &end
#
#  58 ASP  HA     62 ARG  HN      5.10                
 &rst
  ixpk= 0, nxpk= 0, iat= 852, 903, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,  &end
#
#  58 ASP  HB2    59 ALA  HN      4.10                
 &rst
  ixpk= 0, nxpk= 0, iat= 854, 862, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,  &end
#
#  58 ASP  HB3    59 ALA  HN      4.10                
 &rst
  ixpk= 0, nxpk= 0, iat= 855, 862, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,  &end
#
#  58 ASP  QB     59 ALA  HN      3.90                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 862, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,
 igr1= 854, 855,
 &end
#
#  58 ASP  QB     59 ALA  QB      7.88                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.62, r4=11.12,
 igr1= 854, 855,
 igr2= 866, 867, 868,
 &end
#
#  58 ASP  QB     60 VAL  HN      6.88                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 872, r1= 1.30, r2= 1.80, r3= 7.72, r4= 8.22,
 igr1= 854, 855,
 &end
#
#  58 ASP  QB     61 GLU  HN      6.88                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 888, r1= 1.30, r2= 1.80, r3= 7.72, r4= 8.22,
 igr1= 854, 855,
 &end
#
#  59 ALA  HN     60 VAL  HN      4.40                
 &rst
  ixpk= 0, nxpk= 0, iat= 862, 872, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,  &end
#
#  59 ALA  HN     60 VAL  QQG     8.56                
 &rst
  ixpk= 0, nxpk= 0, iat= 862, 875, r1= 1.30, r2= 1.80, r3= 8.56, r4= 9.06,  &end
#
#  59 ALA  HN     62 ARG  HN      6.00                
 &rst
  ixpk= 0, nxpk= 0, iat= 862, 903, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#  59 ALA  HA     61 GLU  HN      4.20                
 &rst
  ixpk= 0, nxpk= 0, iat= 864, 888, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,  &end
#
#  59 ALA  HA     62 ARG  HN      4.80                
 &rst
  ixpk= 0, nxpk= 0, iat= 864, 903, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,  &end
#
#  59 ALA  HA     62 ARG  HB2     4.40                
 &rst
  ixpk= 0, nxpk= 0, iat= 864, 907, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,  &end
#
#  59 ALA  HA     62 ARG  HB3     4.40                
 &rst
  ixpk= 0, nxpk= 0, iat= 864, 908, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,  &end
#
#  59 ALA  HA     62 ARG  QB      4.16                
 &rst
  ixpk= 0, nxpk= 0, iat= 864,  -1, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,
 igr2= 907, 908,
 &end
#
#  59 ALA  HA     62 ARG  QD      6.88                
 &rst
  ixpk= 0, nxpk= 0, iat= 864,  -1, r1= 1.30, r2= 1.80, r3= 7.72, r4= 8.22,
 igr2= 913, 914,
 &end
#
#  59 ALA  HA     63 ALA  HN      5.40                
 &rst
  ixpk= 0, nxpk= 0, iat= 864, 927, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,  &end
#
#  59 ALA  QB     60 VAL  HN      4.20                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 872, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1= 866, 867, 868,
 &end
#
#  59 ALA  QB     60 VAL  HA      7.00                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 874, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr1= 866, 867, 868,
 &end
#
#  59 ALA  QB     61 GLU  HN      5.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 888, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 866, 867, 868,
 &end
#
#  59 ALA  QB     62 ARG  HN      6.30                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 903, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1= 866, 867, 868,
 &end
#
#  59 ALA  QB     63 ALA  HN      6.20                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 927, r1= 1.30, r2= 1.80, r3= 7.45, r4= 7.95,
 igr1= 866, 867, 868,
 &end
#
#  60 VAL  HN     60 VAL  HB      4.00                
 &rst
  ixpk= 0, nxpk= 0, iat= 872, 876, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  60 VAL  HN     60 VAL  QQG     4.20                
 &rst
  ixpk= 0, nxpk= 0, iat= 872, 875, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,  &end
#
#  60 VAL  HN     61 GLU  HN      3.90                
 &rst
  ixpk= 0, nxpk= 0, iat= 872, 888, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40,  &end
#
#  60 VAL  HN     62 ARG  HN      5.00                
 &rst
  ixpk= 0, nxpk= 0, iat= 872, 903, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  60 VAL  HN     63 ALA  HN      6.00                
 &rst
  ixpk= 0, nxpk= 0, iat= 872, 927, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#  60 VAL  HA     62 ARG  HN      6.00                
 &rst
  ixpk= 0, nxpk= 0, iat= 874, 903, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#  60 VAL  HA     63 ALA  HN      3.80                
 &rst
  ixpk= 0, nxpk= 0, iat= 874, 927, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30,  &end
#
#  60 VAL  HA     63 ALA  QB      4.70                
 &rst
  ixpk= 0, nxpk= 0, iat= 874,  -1, r1= 1.30, r2= 1.80, r3= 5.64, r4= 6.14,
 igr2= 931, 932, 933,
 &end
#
#  60 VAL  HA     64 GLY  HN      6.00                
 &rst
  ixpk= 0, nxpk= 0, iat= 874, 937, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#  60 VAL  HA     65 TYR  HN      4.70                
 &rst
  ixpk= 0, nxpk= 0, iat= 874, 944, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,  &end
#
#  60 VAL  HA     65 TYR  QB      5.08                
 &rst
  ixpk= 0, nxpk= 0, iat= 874,  -1, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,
 igr2= 948, 949,
 &end
#
#  60 VAL  HB     61 GLU  HN      3.70                
 &rst
  ixpk= 0, nxpk= 0, iat= 876, 888, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,  &end
#
#  60 VAL  HB     67 ALA  HN      6.00                
 &rst
  ixpk= 0, nxpk= 0, iat= 876, 983, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#  60 VAL  HB     67 ALA  QB      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 876,  -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
 igr2= 987, 988, 989,
 &end
#
#  60 VAL  QG1    61 GLU  HN      7.00                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 888, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr1= 878, 879, 880,
 &end
#
#  60 VAL  QG1    61 GLU  HA      7.00                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 890, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr1= 878, 879, 880,
 &end
#
#  60 VAL  QG1    63 ALA  HN      7.00                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 927, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr1= 878, 879, 880,
 &end
#
#  60 VAL  QG1    65 TYR  HN      7.00                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 944, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr1= 878, 879, 880,
 &end
#
#  60 VAL  QG1    65 TYR  HB2    10.12                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 948, r1= 1.30, r2= 1.80, r3=12.15, r4=12.65,
 igr1= 878, 879, 880,
 &end
#
#  60 VAL  QG1    65 TYR  HB3    10.12                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 949, r1= 1.30, r2= 1.80, r3=12.15, r4=12.65,
 igr1= 878, 879, 880,
 &end
#
#  60 VAL  QG1    66 HIS+ HA      7.00                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 967, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr1= 878, 879, 880,
 &end
#
#  60 VAL  QG1    67 ALA  HN      7.00                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 983, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr1= 878, 879, 880,
 &end
#
#  60 VAL  QG1    67 ALA  HA      7.00                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 985, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr1= 878, 879, 880,
 &end
#
#  60 VAL  QG1    67 ALA  QB      8.00                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=11.54, r4=12.04,
 igr1= 878, 879, 880,
 igr2= 987, 988, 989,
 &end
#
#  60 VAL  QG1    68 ARG  HN      7.00                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 993, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr1= 878, 879, 880,
 &end
#
#  60 VAL  QG2    61 GLU  HN      7.00                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 888, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr1= 882, 883, 884,
 &end
#
#  60 VAL  QG2    61 GLU  HA      7.00                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 890, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr1= 882, 883, 884,
 &end
#
#  60 VAL  QG2    63 ALA  HN      7.00                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 927, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr1= 882, 883, 884,
 &end
#
#  60 VAL  QG2    65 TYR  HN      7.00                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 944, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr1= 882, 883, 884,
 &end
#
#  60 VAL  QG2    65 TYR  HB2    10.12                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 948, r1= 1.30, r2= 1.80, r3=12.15, r4=12.65,
 igr1= 882, 883, 884,
 &end
#
#  60 VAL  QG2    65 TYR  HB3    10.12                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 949, r1= 1.30, r2= 1.80, r3=12.15, r4=12.65,
 igr1= 882, 883, 884,
 &end
#
#  60 VAL  QG2    66 HIS+ HA      7.00                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 967, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr1= 882, 883, 884,
 &end
#
#  60 VAL  QG2    67 ALA  HN      7.00                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 983, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr1= 882, 883, 884,
 &end
#
#  60 VAL  QG2    67 ALA  HA      7.00                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 985, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr1= 882, 883, 884,
 &end
#
#  60 VAL  QG2    67 ALA  QB      8.00                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=11.54, r4=12.04,
 igr1= 882, 883, 884,
 igr2= 987, 988, 989,
 &end
#
#  60 VAL  QG2    68 ARG  HN      7.00                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 993, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr1= 882, 883, 884,
 &end
#
#  60 VAL  QQG    64 GLY  HN      8.56                
 &rst
  ixpk= 0, nxpk= 0, iat= 875, 937, r1= 1.30, r2= 1.80, r3= 8.56, r4= 9.06,  &end
#
#  60 VAL  QQG    65 TYR  QB      8.32                
 &rst
  ixpk= 0, nxpk= 0, iat= 875,  -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84,
 igr2= 948, 949,
 &end
#
#  60 VAL  QQG    65 TYR  QE     10.56                
 &rst
  ixpk= 0, nxpk= 0, iat= 875,  -1, r1= 1.30, r2= 1.80, r3=11.85, r4=12.35,
 igr2= 954, 959,
 &end
#
#  60 VAL  QQG    66 HIS+ HN      8.56                
 &rst
  ixpk= 0, nxpk= 0, iat= 875, 965, r1= 1.30, r2= 1.80, r3= 8.56, r4= 9.06,  &end
#
#  61 GLU  HN     61 GLU  HB2     3.80                
 &rst
  ixpk= 0, nxpk= 0, iat= 888, 892, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30,  &end
#
#  61 GLU  HN     61 GLU  HB3     3.80                
 &rst
  ixpk= 0, nxpk= 0, iat= 888, 893, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30,  &end
#
#  61 GLU  HN     61 GLU  HG2     4.50                
 &rst
  ixpk= 0, nxpk= 0, iat= 888, 895, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  61 GLU  HN     61 GLU  HG3     4.50                
 &rst
  ixpk= 0, nxpk= 0, iat= 888, 896, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  61 GLU  HN     61 GLU  QG      4.31                
 &rst
  ixpk= 0, nxpk= 0, iat= 888,  -1, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,
 igr2= 895, 896,
 &end
#
#  61 GLU  HN     62 ARG  HN      3.90                
 &rst
  ixpk= 0, nxpk= 0, iat= 888, 903, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40,  &end
#
#  61 GLU  HN     62 ARG  QB      5.28                
 &rst
  ixpk= 0, nxpk= 0, iat= 888,  -1, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43,
 igr2= 907, 908,
 &end
#
#  61 GLU  HN     63 ALA  HN      5.00                
 &rst
  ixpk= 0, nxpk= 0, iat= 888, 927, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  61 GLU  HN     63 ALA  QB      7.00                
 &rst
  ixpk= 0, nxpk= 0, iat= 888,  -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr2= 931, 932, 933,
 &end
#
#  61 GLU  HN     64 GLY  HN      5.50                
 &rst
  ixpk= 0, nxpk= 0, iat= 888, 937, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  61 GLU  HN     66 HIS+ HA      5.20                
 &rst
  ixpk= 0, nxpk= 0, iat= 888, 967, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,  &end
#
#  61 GLU  HA     63 ALA  HN      5.20                
 &rst
  ixpk= 0, nxpk= 0, iat= 890, 927, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,  &end
#
#  61 GLU  HA     63 ALA  QB      6.50                
 &rst
  ixpk= 0, nxpk= 0, iat= 890,  -1, r1= 1.30, r2= 1.80, r3= 7.81, r4= 8.31,
 igr2= 931, 932, 933,
 &end
#
#  61 GLU  HA     64 GLY  HN      5.20                
 &rst
  ixpk= 0, nxpk= 0, iat= 890, 937, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,  &end
#
#  61 GLU  HA     64 GLY  QA      6.88                
 &rst
  ixpk= 0, nxpk= 0, iat= 890,  -1, r1= 1.30, r2= 1.80, r3= 7.72, r4= 8.22,
 igr2= 939, 940,
 &end
#
#  61 GLU  HA     65 TYR  HN      5.20                
 &rst
  ixpk= 0, nxpk= 0, iat= 890, 944, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,  &end
#
#  61 GLU  HA     66 HIS+ QB      6.88                
 &rst
  ixpk= 0, nxpk= 0, iat= 890,  -1, r1= 1.30, r2= 1.80, r3= 7.72, r4= 8.22,
 igr2= 969, 970,
 &end
#
#  61 GLU  HB2    62 ARG  HN      4.10                
 &rst
  ixpk= 0, nxpk= 0, iat= 892, 903, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,  &end
#
#  61 GLU  HB3    62 ARG  HN      4.10                
 &rst
  ixpk= 0, nxpk= 0, iat= 893, 903, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,  &end
#
#  61 GLU  QB     62 ARG  HN      3.90                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 903, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,
 igr1= 892, 893,
 &end
#
#  61 GLU  QB     62 ARG  HA      5.78                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 905, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
 igr1= 892, 893,
 &end
#
#  61 GLU  QB     63 ALA  HN      6.88                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 927, r1= 1.30, r2= 1.80, r3= 7.72, r4= 8.22,
 igr1= 892, 893,
 &end
#
#  61 GLU  QB     64 GLY  HN      6.88                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 937, r1= 1.30, r2= 1.80, r3= 7.72, r4= 8.22,
 igr1= 892, 893,
 &end
#
#  61 GLU  QB     65 TYR  HN      5.68                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 944, r1= 1.30, r2= 1.80, r3= 6.38, r4= 6.88,
 igr1= 892, 893,
 &end
#
#  61 GLU  HG2    62 ARG  HN      6.00                
 &rst
  ixpk= 0, nxpk= 0, iat= 895, 903, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#  61 GLU  HG3    62 ARG  HN      6.00                
 &rst
  ixpk= 0, nxpk= 0, iat= 896, 903, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#  61 GLU  QG     65 TYR  HN      6.88                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 944, r1= 1.30, r2= 1.80, r3= 7.72, r4= 8.22,
 igr1= 895, 896,
 &end
#
#  61 GLU  QG     66 HIS+ HN      6.88                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 965, r1= 1.30, r2= 1.80, r3= 7.72, r4= 8.22,
 igr1= 895, 896,
 &end
#
#  61 GLU  QG     66 HIS+ HA      6.88                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 967, r1= 1.30, r2= 1.80, r3= 7.72, r4= 8.22,
 igr1= 895, 896,
 &end
#
#  62 ARG  HN     62 ARG  HB2     3.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 903, 907, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,  &end
#
#  62 ARG  HN     62 ARG  HB3     3.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 903, 908, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,  &end
#
#  62 ARG  HN     62 ARG  QG      5.80                
 &rst
  ixpk= 0, nxpk= 0, iat= 903,  -1, r1= 1.30, r2= 1.80, r3= 6.51, r4= 7.01,
 igr2= 910, 911,
 &end
#
#  62 ARG  HN     62 ARG  HD2     6.00                
 &rst
  ixpk= 0, nxpk= 0, iat= 903, 913, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#  62 ARG  HN     62 ARG  HD3     6.00                
 &rst
  ixpk= 0, nxpk= 0, iat= 903, 914, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#  62 ARG  HN     62 ARG  QD      5.59                
 &rst
  ixpk= 0, nxpk= 0, iat= 903,  -1, r1= 1.30, r2= 1.80, r3= 6.27, r4= 6.77,
 igr2= 913, 914,
 &end
#
#  62 ARG  HN     63 ALA  HN      3.80                
 &rst
  ixpk= 0, nxpk= 0, iat= 903, 927, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30,  &end
#
#  62 ARG  HN     63 ALA  QB      5.50                
 &rst
  ixpk= 0, nxpk= 0, iat= 903,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 931, 932, 933,
 &end
#
#  62 ARG  HN     64 GLY  HN      6.00                
 &rst
  ixpk= 0, nxpk= 0, iat= 903, 937, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#  62 ARG  HA     62 ARG  HD2     5.20                
 &rst
  ixpk= 0, nxpk= 0, iat= 905, 913, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,  &end
#
#  62 ARG  HA     62 ARG  HD3     5.20                
 &rst
  ixpk= 0, nxpk= 0, iat= 905, 914, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,  &end
#
#  62 ARG  HA     62 ARG  QD      4.88                
 &rst
  ixpk= 0, nxpk= 0, iat= 905,  -1, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98,
 igr2= 913, 914,
 &end
#
#  62 ARG  HA     63 ALA  HA      4.80                
 &rst
  ixpk= 0, nxpk= 0, iat= 905, 929, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,  &end
#
#  62 ARG  HA     64 GLY  HN      4.90                
 &rst
  ixpk= 0, nxpk= 0, iat= 905, 937, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,  &end
#
#  62 ARG  HB2    63 ALA  HN      4.50                
 &rst
  ixpk= 0, nxpk= 0, iat= 907, 927, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  62 ARG  HB3    63 ALA  HN      4.50                
 &rst
  ixpk= 0, nxpk= 0, iat= 908, 927, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  62 ARG  QB     63 ALA  HN      4.31                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 927, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,
 igr1= 907, 908,
 &end
#
#  62 ARG  QB     63 ALA  HA      5.68                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 929, r1= 1.30, r2= 1.80, r3= 6.38, r4= 6.88,
 igr1= 907, 908,
 &end
#
#  62 ARG  QB     64 GLY  HN      6.88                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 937, r1= 1.30, r2= 1.80, r3= 7.72, r4= 8.22,
 igr1= 907, 908,
 &end
#
#  62 ARG  QD     63 ALA  HN      6.88                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 927, r1= 1.30, r2= 1.80, r3= 7.72, r4= 8.22,
 igr1= 913, 914,
 &end
#
#  62 ARG  QD     63 ALA  HA      6.88                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 929, r1= 1.30, r2= 1.80, r3= 7.72, r4= 8.22,
 igr1= 913, 914,
 &end
#
#  63 ALA  HN     64 GLY  HN      3.70                
 &rst
  ixpk= 0, nxpk= 0, iat= 927, 937, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,  &end
#
#  63 ALA  HN     64 GLY  HA1     5.30                
 &rst
  ixpk= 0, nxpk= 0, iat= 927, 939, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,  &end
#
#  63 ALA  HN     64 GLY  HA2     5.30                
 &rst
  ixpk= 0, nxpk= 0, iat= 927, 940, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,  &end
#
#  63 ALA  HA     65 TYR  HN      4.70                
 &rst
  ixpk= 0, nxpk= 0, iat= 929, 944, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,  &end
#
#  63 ALA  QB     64 GLY  QA      7.88                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.62, r4=11.12,
 igr1= 931, 932, 933,
 igr2= 939, 940,
 &end
#
#  63 ALA  QB     65 TYR  HN      5.90                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 944, r1= 1.30, r2= 1.80, r3= 7.09, r4= 7.59,
 igr1= 931, 932, 933,
 &end
#
#  63 ALA  QB     65 TYR  QB      7.88                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.62, r4=11.12,
 igr1= 931, 932, 933,
 igr2= 948, 949,
 &end
#
#  63 ALA  QB     65 TYR  QD      9.00                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=12.13, r4=12.63,
 igr1= 931, 932, 933,
 igr2= 952, 961,
 &end
#
#  63 ALA  QB     65 TYR  QE      9.00                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=12.13, r4=12.63,
 igr1= 931, 932, 933,
 igr2= 954, 959,
 &end
#
#  64 GLY  HN     65 TYR  HN      3.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 937, 944, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,  &end
#
#  64 GLY  HN     65 TYR  HA      4.90                
 &rst
  ixpk= 0, nxpk= 0, iat= 937, 946, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,  &end
#
#  64 GLY  QA     65 TYR  HA      6.18                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 946, r1= 1.30, r2= 1.80, r3= 6.94, r4= 7.44,
 igr1= 939, 940,
 &end
#
#  64 GLY  QA     66 HIS+ HN      6.78                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 965, r1= 1.30, r2= 1.80, r3= 7.61, r4= 8.11,
 igr1= 939, 940,
 &end
#
#  65 TYR  HN     65 TYR  QE      6.30                
 &rst
  ixpk= 0, nxpk= 0, iat= 944,  -1, r1= 1.30, r2= 1.80, r3= 7.07, r4= 7.57,
 igr2= 954, 959,
 &end
#
#  65 TYR  HN     66 HIS+ HN      5.20                
 &rst
  ixpk= 0, nxpk= 0, iat= 944, 965, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,  &end
#
#  65 TYR  HN     66 HIS+ HA      5.40                
 &rst
  ixpk= 0, nxpk= 0, iat= 944, 967, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,  &end
#
#  65 TYR  HA     65 TYR  QE      5.80                
 &rst
  ixpk= 0, nxpk= 0, iat= 946,  -1, r1= 1.30, r2= 1.80, r3= 6.51, r4= 7.01,
 igr2= 954, 959,
 &end
#
#  65 TYR  HA     66 HIS+ QB      5.08                
 &rst
  ixpk= 0, nxpk= 0, iat= 946,  -1, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,
 igr2= 969, 970,
 &end
#
#  65 TYR  HB2    66 HIS+ HN      3.80                
 &rst
  ixpk= 0, nxpk= 0, iat= 948, 965, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30,  &end
#
#  65 TYR  HB3    66 HIS+ HN      3.80                
 &rst
  ixpk= 0, nxpk= 0, iat= 949, 965, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30,  &end
#
#  65 TYR  QB     66 HIS+ HN      3.55                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 965, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48,
 igr1= 948, 949,
 &end
#
#  65 TYR  QE     66 HIS+ HN      8.00                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 965, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
 igr1= 954, 959,
 &end
#
#  66 HIS+ HN     67 ALA  HA      6.00                
 &rst
  ixpk= 0, nxpk= 0, iat= 965, 985, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#  66 HIS+ HA     67 ALA  HN      3.50                
 &rst
  ixpk= 0, nxpk= 0, iat= 967, 983, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  66 HIS+ HA     67 ALA  HA      5.50                
 &rst
  ixpk= 0, nxpk= 0, iat= 967, 985, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  66 HIS+ HA     67 ALA  QB      7.00                
 &rst
  ixpk= 0, nxpk= 0, iat= 967,  -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr2= 987, 988, 989,
 &end
#
#  66 HIS+ HB2    67 ALA  HN      4.10                
 &rst
  ixpk= 0, nxpk= 0, iat= 969, 983, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,  &end
#
#  66 HIS+ HB3    67 ALA  HN      4.10                
 &rst
  ixpk= 0, nxpk= 0, iat= 970, 983, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,  &end
#
#  67 ALA  HN     68 ARG  HN      5.30                
 &rst
  ixpk= 0, nxpk= 0, iat= 983, 993, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,  &end
#
#  67 ALA  HA     68 ARG  HN      3.20                
 &rst
  ixpk= 0, nxpk= 0, iat= 985, 993, r1= 1.30, r2= 1.80, r3= 3.20, r4= 3.70,  &end
#
#  67 ALA  HA     68 ARG  QB      6.88                
 &rst
  ixpk= 0, nxpk= 0, iat= 985,  -1, r1= 1.30, r2= 1.80, r3= 7.72, r4= 8.22,
 igr2= 997, 998,
 &end
#
#  67 ALA  HA     68 ARG  QG      6.88                
 &rst
  ixpk= 0, nxpk= 0, iat= 985,  -1, r1= 1.30, r2= 1.80, r3= 7.72, r4= 8.22,
 igr2=1000,1001,
 &end
#
#  67 ALA  QB     68 ARG  HN      4.20                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 993, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1= 987, 988, 989,
 &end
#
#  68 ARG  HN     68 ARG  HG2     4.80                
 &rst
  ixpk= 0, nxpk= 0, iat= 993,1000, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,  &end
#
#  68 ARG  HN     68 ARG  HG3     4.80                
 &rst
  ixpk= 0, nxpk= 0, iat= 993,1001, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,  &end
#
#  68 ARG  HN     68 ARG  QG      4.42                
 &rst
  ixpk= 0, nxpk= 0, iat= 993,  -1, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,
 igr2=1000,1001,
 &end
#
#  68 ARG  HN     68 ARG  QD      7.00                
 &rst
  ixpk= 0, nxpk= 0, iat= 993,  -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr2=1003,1004,
 &end
#
#  68 ARG  HN     69 VAL  HN      5.50                
 &rst
  ixpk= 0, nxpk= 0, iat= 993,1017, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  68 ARG  HA     68 ARG  QD      6.70                
 &rst
  ixpk= 0, nxpk= 0, iat= 995,  -1, r1= 1.30, r2= 1.80, r3= 7.52, r4= 8.02,
 igr2=1003,1004,
 &end
#
#  68 ARG  HA     69 VAL  HN      3.50                
 &rst
  ixpk= 0, nxpk= 0, iat= 995,1017, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  68 ARG  HA     69 VAL  QQG     8.56                
 &rst
  ixpk= 0, nxpk= 0, iat= 995,1020, r1= 1.30, r2= 1.80, r3= 8.56, r4= 9.06,  &end
#
#  68 ARG  HB2    69 VAL  HN      4.20                
 &rst
  ixpk= 0, nxpk= 0, iat= 997,1017, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,  &end
#
#  68 ARG  HB2    69 VAL  HA      6.00                
 &rst
  ixpk= 0, nxpk= 0, iat= 997,1019, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#  68 ARG  HB3    69 VAL  HN      4.20                
 &rst
  ixpk= 0, nxpk= 0, iat= 998,1017, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,  &end
#
#  68 ARG  HB3    69 VAL  HA      6.00                
 &rst
  ixpk= 0, nxpk= 0, iat= 998,1019, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#  68 ARG  HG2    69 VAL  HN      6.00                
 &rst
  ixpk= 0, nxpk= 0, iat=1000,1017, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#  68 ARG  HG3    69 VAL  HN      6.00                
 &rst
  ixpk= 0, nxpk= 0, iat=1001,1017, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#  68 ARG  QD     69 VAL  HN      7.00                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1017, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1=1003,1004,
 &end
#
#  69 VAL  HN     69 VAL  HB      3.40                
 &rst
  ixpk= 0, nxpk= 0, iat=1017,1021, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90,  &end
#
#  69 VAL  HN     69 VAL  QG1     4.10                
 &rst
  ixpk= 0, nxpk= 0, iat=1017,  -1, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,
 igr2=1023,1024,1025,
 &end
#
#  69 VAL  HN     69 VAL  QG2     4.10                
 &rst
  ixpk= 0, nxpk= 0, iat=1017,  -1, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,
 igr2=1027,1028,1029,
 &end
#
#  69 VAL  HN     70 LEU  HN      5.50                
 &rst
  ixpk= 0, nxpk= 0, iat=1017,1033, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  69 VAL  HA     70 LEU  HN      3.50                
 &rst
  ixpk= 0, nxpk= 0, iat=1019,1033, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  69 VAL  HA     70 LEU  HB2     5.50                
 &rst
  ixpk= 0, nxpk= 0, iat=1019,1037, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  69 VAL  HA     70 LEU  HB3     5.50                
 &rst
  ixpk= 0, nxpk= 0, iat=1019,1038, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  69 VAL  HA     70 LEU  QB      5.28                
 &rst
  ixpk= 0, nxpk= 0, iat=1019,  -1, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43,
 igr2=1037,1038,
 &end
#
#  69 VAL  HB     70 LEU  HN      5.10                
 &rst
  ixpk= 0, nxpk= 0, iat=1021,1033, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,  &end
#
#  69 VAL  HB     70 LEU  HA      5.00                
 &rst
  ixpk= 0, nxpk= 0, iat=1021,1035, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  69 VAL  QG1    70 LEU  HN      7.00                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1033, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr1=1023,1024,1025,
 &end
#
#  69 VAL  QG2    70 LEU  HN      7.00                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1033, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr1=1027,1028,1029,
 &end
#
#  69 VAL  QQG    70 LEU  HA      5.86                
 &rst
  ixpk= 0, nxpk= 0, iat=1020,1035, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36,  &end
#
#  70 LEU  HN     70 LEU  QB      3.76                
 &rst
  ixpk= 0, nxpk= 0, iat=1033,  -1, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72,
 igr2=1037,1038,
 &end
#
#  70 LEU  HN     70 LEU  HG      2.70                
 &rst
  ixpk= 0, nxpk= 0, iat=1033,1040, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20,  &end
#
#  70 LEU  HN     70 LEU  QD1     7.00                
 &rst
  ixpk= 0, nxpk= 0, iat=1033,  -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr2=1042,1043,1044,
 &end
#
#  70 LEU  HN     70 LEU  QD2     7.00                
 &rst
  ixpk= 0, nxpk= 0, iat=1033,  -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr2=1046,1047,1048,
 &end
#
#  70 LEU  HN     70 LEU  QQD     5.92                
 &rst
  ixpk= 0, nxpk= 0, iat=1033,1039, r1= 1.30, r2= 1.80, r3= 5.92, r4= 6.42,  &end
#
#  70 LEU  HA     70 LEU  HG      4.10                
 &rst
  ixpk= 0, nxpk= 0, iat=1035,1040, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,  &end
#
#  70 LEU  HA     70 LEU  QD1     5.90                
 &rst
  ixpk= 0, nxpk= 0, iat=1035,  -1, r1= 1.30, r2= 1.80, r3= 7.09, r4= 7.59,
 igr2=1042,1043,1044,
 &end
#
#  70 LEU  HA     70 LEU  QD2     5.90                
 &rst
  ixpk= 0, nxpk= 0, iat=1035,  -1, r1= 1.30, r2= 1.80, r3= 7.09, r4= 7.59,
 igr2=1046,1047,1048,
 &end
#
#  80 THR  HA     80 THR  HB      2.40                
 &rst
  ixpk= 0, nxpk= 0, iat=1201,1203, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90,  &end
#
#  81 GLU  HN     81 GLU  QG      6.90                
 &rst
  ixpk= 0, nxpk= 0, iat=1213,  -1, r1= 1.30, r2= 1.80, r3= 7.74, r4= 8.24,
 igr2=1220,1221,
 &end
#
#  83 ARG  HN     83 ARG  QG      5.80                
 &rst
  ixpk= 0, nxpk= 0, iat=1240,  -1, r1= 1.30, r2= 1.80, r3= 6.51, r4= 7.01,
 igr2=1247,1248,
 &end
#
#  83 ARG  HN     83 ARG  QD      7.00                
 &rst
  ixpk= 0, nxpk= 0, iat=1240,  -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr2=1250,1251,
 &end
#
#  83 ARG  HA     83 ARG  QD      6.90                
 &rst
  ixpk= 0, nxpk= 0, iat=1242,  -1, r1= 1.30, r2= 1.80, r3= 7.74, r4= 8.24,
 igr2=1250,1251,
 &end
#
#  84 LYS  HN     84 LYS  QG      5.90                
 &rst
  ixpk= 0, nxpk= 0, iat=1264,  -1, r1= 1.30, r2= 1.80, r3= 6.62, r4= 7.12,
 igr2=1271,1272,
 &end
#
#  84 LYS  HN     84 LYS  QD      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat=1264,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2=1274,1275,
 &end
#
#  84 LYS  HA     84 LYS  QD      6.30                
 &rst
  ixpk= 0, nxpk= 0, iat=1266,  -1, r1= 1.30, r2= 1.80, r3= 7.07, r4= 7.57,
 igr2=1274,1275,
 &end


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