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
20930 2gql cing 1-original 1 AMBER distance NOE simple



#
#   5 LYS+ HN      5 LYS+ QG      7.00                
 &rst
  ixpk= 0, nxpk= 0, iat=  56,  -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,

      rk2=50.0, rk3=50.0, ir6=1, ialtd=0,
 igr2=  63,  64,
 &end
#
#   5 LYS+ HN      5 LYS+ QD      6.80                
 &rst
  ixpk= 0, nxpk= 0, iat=  56,  -1, r1= 1.30, r2= 1.80, r3= 7.63, r4= 8.13,
 igr2=  66,  67,
 &end
#
#   5 LYS+ HN      5 LYS+ QE      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  56,  -1, r1= 1.30, r2= 1.80, r3= 8.53, r4= 9.03,
 igr2=  69,  70,
 &end
#
#   5 LYS+ HA      5 LYS+ QD      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  58,  -1, r1= 1.30, r2= 1.80, r3= 8.53, r4= 9.03,
 igr2=  66,  67,
 &end
#
#   5 LYS+ HA      5 LYS+ QE      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  58,  -1, r1= 1.30, r2= 1.80, r3= 8.53, r4= 9.03,
 igr2=  69,  70,
 &end
#
#   5 LYS+ HB2     5 LYS+ QE      5.10                
 &rst
  ixpk= 0, nxpk= 0, iat=  60,  -1, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,
 igr2=  69,  70,
 &end
#
#   5 LYS+ HB3     5 LYS+ QE      5.10                
 &rst
  ixpk= 0, nxpk= 0, iat=  61,  -1, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,
 igr2=  69,  70,
 &end
#
#   5 LYS+ QB      5 LYS+ QE      4.50                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=  60,  61,
 igr2=  69,  70,
 &end
#
#   6 PRO  HB2     7 LEU  HN      3.90                
 &rst
  ixpk= 0, nxpk= 0, iat=  85,  92, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40,  &end
#
#   6 PRO  HB3     7 LEU  HN      3.90                
 &rst
  ixpk= 0, nxpk= 0, iat=  86,  92, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40,  &end
#
#   7 LEU  HN      7 LEU  QB      3.90                
 &rst
  ixpk= 0, nxpk= 0, iat=  92,  -1, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,
 igr2=  96,  97,
 &end
#
#   7 LEU  HN      7 LEU  HG      3.90                
 &rst
  ixpk= 0, nxpk= 0, iat=  92,  99, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40,  &end
#
#   7 LEU  HN      7 LEU  QD1     7.10                
 &rst
  ixpk= 0, nxpk= 0, iat=  92,  -1, r1= 1.30, r2= 1.80, r3= 8.53, r4= 9.03,
 igr2= 101, 102, 103,
 &end
#
#   7 LEU  HN      7 LEU  QD2     7.10                
 &rst
  ixpk= 0, nxpk= 0, iat=  92,  -1, r1= 1.30, r2= 1.80, r3= 8.53, r4= 9.03,
 igr2= 105, 106, 107,
 &end
#
#   7 LEU  HN      7 LEU  QQD     6.53                
 &rst
  ixpk= 0, nxpk= 0, iat=  92,  -1, r1= 1.30, r2= 1.80, r3= 8.80, r4= 9.30,
 igr2= 105, 106, 107, 101, 102, 103,
 &end
#
#   7 LEU  HA      7 LEU  QD1     6.30                
 &rst
  ixpk= 0, nxpk= 0, iat=  94,  -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr2= 101, 102, 103,
 &end
#
#   7 LEU  HA      7 LEU  QD2     6.30                
 &rst
  ixpk= 0, nxpk= 0, iat=  94,  -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr2= 105, 106, 107,
 &end
#
#   7 LEU  HB2     8 LEU  HN      5.00                
 &rst
  ixpk= 0, nxpk= 0, iat=  96, 111, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   7 LEU  HB3     8 LEU  HN      5.00                
 &rst
  ixpk= 0, nxpk= 0, iat=  97, 111, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   7 LEU  QB      8 LEU  HN      4.77                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 111, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85,
 igr1=  96,  97,
 &end
#
#   7 LEU  HG      8 LEU  HN      5.40                
 &rst
  ixpk= 0, nxpk= 0, iat=  99, 111, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,  &end
#
#   8 LEU  HN      8 LEU  HG      5.80                
 &rst
  ixpk= 0, nxpk= 0, iat= 111, 118, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,  &end
#
#   8 LEU  HN      8 LEU  QD1     7.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 111,  -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr2= 120, 121, 122,
 &end
#
#   8 LEU  HN      8 LEU  QD2     7.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 111,  -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr2= 124, 125, 126,
 &end
#
#   8 LEU  HA      8 LEU  QD1     6.30                
 &rst
  ixpk= 0, nxpk= 0, iat= 113,  -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr2= 120, 121, 122,
 &end
#
#   8 LEU  HA      8 LEU  QD2     6.30                
 &rst
  ixpk= 0, nxpk= 0, iat= 113,  -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr2= 124, 125, 126,
 &end
#
#   8 LEU  HB2     9 GLY  HN      5.00                
 &rst
  ixpk= 0, nxpk= 0, iat= 115, 130, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   8 LEU  HB3     9 GLY  HN      5.00                
 &rst
  ixpk= 0, nxpk= 0, iat= 116, 130, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   8 LEU  QB      9 GLY  HN      4.49                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 130, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1= 115, 116,
 &end
#
#   8 LEU  HG      9 GLY  HN      6.00                
 &rst
  ixpk= 0, nxpk= 0, iat= 118, 130, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   8 LEU  QD1     9 GLY  HN      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 130, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr1= 120, 121, 122,
 &end
#
#   8 LEU  QD2     9 GLY  HN      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 130, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr1= 124, 125, 126,
 &end
#
#   8 LEU  QQD     9 GLY  HN      6.99                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 130, r1= 1.30, r2= 1.80, r3= 9.42, r4= 9.92,
 igr1= 124, 125, 126, 120, 121, 122,
 &end
#
#   9 GLY  HN    112 ALA  QB      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 130,  -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr2=1754,1755,1756,
 &end
#
#   9 GLY  HN    113 TYR  QD      8.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 130,  -1, r1= 1.30, r2= 1.80, r3= 9.65, r4=10.15,
 igr2=1768,1777,
 &end
#
#   9 GLY  HN    113 TYR  QE      8.20                
 &rst
  ixpk= 0, nxpk= 0, iat= 130,  -1, r1= 1.30, r2= 1.80, r3= 9.20, r4= 9.70,
 igr2=1770,1775,
 &end
#
#   9 GLY  HA2   113 TYR  HH      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 132,1773, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#   9 GLY  HA3   113 TYR  HH      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 133,1773, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  10 GLY  HN     11 PRO  QD      7.48                
 &rst
  ixpk= 0, nxpk= 0, iat= 137,  -1, r1= 1.30, r2= 1.80, r3= 8.40, r4= 8.90,
 igr2= 145, 146,
 &end
#
#  10 GLY  HN    112 ALA  QB      6.40                
 &rst
  ixpk= 0, nxpk= 0, iat= 137,  -1, r1= 1.30, r2= 1.80, r3= 7.69, r4= 8.19,
 igr2=1754,1755,1756,
 &end
#
#  10 GLY  HN    113 TYR  QE      7.40                
 &rst
  ixpk= 0, nxpk= 0, iat= 137,  -1, r1= 1.30, r2= 1.80, r3= 8.31, r4= 8.81,
 igr2=1770,1775,
 &end
#
#  10 GLY  HN    113 TYR  HH      5.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 137,1773, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,  &end
#
#  11 PRO  HA     24 ASP- HN      5.10                
 &rst
  ixpk= 0, nxpk= 0, iat= 154, 349, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,  &end
#
#  11 PRO  HA     25 LYS+ HN      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 154, 361, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  11 PRO  HA    108 GLN  QE2     6.47                
 &rst
  ixpk= 0, nxpk= 0, iat= 154,  -1, r1= 1.30, r2= 1.80, r3= 7.26, r4= 7.76,
 igr2=1695,1696,
 &end
#
#  11 PRO  HB2    12 PHE  HN      4.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 151, 158, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,  &end
#
#  11 PRO  HB3    12 PHE  HN      4.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 152, 158, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,  &end
#
#  11 PRO  QB     12 PHE  HN      4.17                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 158, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,
 igr1= 151, 152,
 &end
#
#  11 PRO  HG2   108 GLN  HE21    6.43                
 &rst
  ixpk= 0, nxpk= 0, iat= 148,1695, r1= 1.30, r2= 1.80, r3= 6.43, r4= 6.93,  &end
#
#  11 PRO  HG2   108 GLN  HE22    6.43                
 &rst
  ixpk= 0, nxpk= 0, iat= 148,1696, r1= 1.30, r2= 1.80, r3= 6.43, r4= 6.93,  &end
#
#  11 PRO  HG3   108 GLN  HE21    6.43                
 &rst
  ixpk= 0, nxpk= 0, iat= 149,1695, r1= 1.30, r2= 1.80, r3= 6.43, r4= 6.93,  &end
#
#  11 PRO  HG3   108 GLN  HE22    6.43                
 &rst
  ixpk= 0, nxpk= 0, iat= 149,1696, r1= 1.30, r2= 1.80, r3= 6.43, r4= 6.93,  &end
#
#  11 PRO  QG    108 GLN  QE2     5.25                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 148, 149,
 igr2=1695,1696,
 &end
#
#  11 PRO  HD2   108 GLN  HE21    6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 145,1695, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  11 PRO  HD2   108 GLN  HE22    6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 145,1696, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  11 PRO  HD2   112 ALA  QB      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 145,  -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr2=1754,1755,1756,
 &end
#
#  11 PRO  HD3   108 GLN  HE21    6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 146,1695, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  11 PRO  HD3   108 GLN  HE22    6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 146,1696, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  11 PRO  HD3   112 ALA  QB      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 146,  -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr2=1754,1755,1756,
 &end
#
#  11 PRO  QD    108 GLN  QE2     5.72                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 145, 146,
 igr2=1695,1696,
 &end
#
#  12 PHE  HN     12 PHE  QE      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 158,  -1, r1= 1.30, r2= 1.80, r3= 8.53, r4= 9.03,
 igr2= 168, 172,
 &end
#
#  12 PHE  HN     13 SER  HN      5.20                
 &rst
  ixpk= 0, nxpk= 0, iat= 158, 178, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,  &end
#
#  12 PHE  HN     23 THR  HA      6.30                
 &rst
  ixpk= 0, nxpk= 0, iat= 158, 337, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,  &end
#
#  12 PHE  HN     23 THR  HB      5.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 158, 339, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,  &end
#
#  12 PHE  HN     23 THR  QG2     7.20                
 &rst
  ixpk= 0, nxpk= 0, iat= 158,  -1, r1= 1.30, r2= 1.80, r3= 8.65, r4= 9.15,
 igr2= 341, 342, 343,
 &end
#
#  12 PHE  HN     24 ASP- HN      5.00                
 &rst
  ixpk= 0, nxpk= 0, iat= 158, 349, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  12 PHE  HN     24 ASP- HA      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 158, 351, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  12 PHE  HN     25 LYS+ HN      6.40                
 &rst
  ixpk= 0, nxpk= 0, iat= 158, 361, r1= 1.30, r2= 1.80, r3= 6.40, r4= 6.90,  &end
#
#  12 PHE  HA    108 GLN  QB      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 160,  -1, r1= 1.30, r2= 1.80, r3= 8.53, r4= 9.03,
 igr2=1687,1688,
 &end
#
#  12 PHE  HA    108 GLN  HE21    5.40                
 &rst
  ixpk= 0, nxpk= 0, iat= 160,1695, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,  &end
#
#  12 PHE  HA    108 GLN  HE22    5.40                
 &rst
  ixpk= 0, nxpk= 0, iat= 160,1696, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,  &end
#
#  12 PHE  HA    108 GLN  QE2     5.23                
 &rst
  ixpk= 0, nxpk= 0, iat= 160,  -1, r1= 1.30, r2= 1.80, r3= 5.87, r4= 6.37,
 igr2=1695,1696,
 &end
#
#  12 PHE  HA    109 VAL  HA      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 160,1702, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  12 PHE  QB     14 LEU  HN      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 189, r1= 1.30, r2= 1.80, r3= 8.53, r4= 9.03,
 igr1= 162, 163,
 &end
#
#  12 PHE  QB     14 LEU  QQD    10.17                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=15.39, r4=15.89,
 igr1= 162, 163,
 igr2= 202, 203, 204, 198, 199, 200,
 &end
#
#  12 PHE  QB    108 GLN  QE2     8.47                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.67, r4=11.17,
 igr1= 162, 163,
 igr2=1695,1696,
 &end
#
#  12 PHE  QB    109 VAL  QQG    10.16                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=15.37, r4=15.87,
 igr1= 162, 163,
 igr2=1706,1707,1708,1710,1711,1712,
 &end
#
#  12 PHE  QD     13 SER  HN      7.80                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 178, r1= 1.30, r2= 1.80, r3= 8.76, r4= 9.26,
 igr1= 166, 174,
 &end
#
#  12 PHE  QD     13 SER  HA      8.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 180, r1= 1.30, r2= 1.80, r3= 9.65, r4=10.15,
 igr1= 166, 174,
 &end
#
#  12 PHE  QD     14 LEU  HN      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 189, r1= 1.30, r2= 1.80, r3= 8.53, r4= 9.03,
 igr1= 166, 174,
 &end
#
#  12 PHE  QD     14 LEU  QQD    11.17                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=16.90, r4=17.40,
 igr1= 166, 174,
 igr2= 202, 203, 204, 198, 199, 200,
 &end
#
#  12 PHE  QD     23 THR  HA      8.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 337, r1= 1.30, r2= 1.80, r3= 9.65, r4=10.15,
 igr1= 166, 174,
 &end
#
#  12 PHE  QD     24 ASP- HN      8.20                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 349, r1= 1.30, r2= 1.80, r3= 9.20, r4= 9.70,
 igr1= 166, 174,
 &end
#
#  12 PHE  QD     71 LEU  QQD    11.17                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=16.90, r4=17.40,
 igr1= 166, 174,
 igr2=1108,1109,1110,1104,1105,1106,
 &end
#
#  12 PHE  QD     73 ILE  QD1     9.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=12.94, r4=13.44,
 igr1= 166, 174,
 igr2=1147,1148,1149,
 &end
#
#  12 PHE  QD     99 LEU  QQD    11.17                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=16.90, r4=17.40,
 igr1= 166, 174,
 igr2=1560,1561,1562,1556,1557,1558,
 &end
#
#  12 PHE  QD    109 VAL  QQG    11.16                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=16.89, r4=17.39,
 igr1= 166, 174,
 igr2=1706,1707,1708,1710,1711,1712,
 &end
#
#  12 PHE  QD    113 TYR  QE     10.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=13.36, r4=13.86,
 igr1= 166, 174,
 igr2=1770,1775,
 &end
#
#  12 PHE  QD    113 TYR  HH      8.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1773, r1= 1.30, r2= 1.80, r3= 9.65, r4=10.15,
 igr1= 166, 174,
 &end
#
#  12 PHE  QE     13 SER  HN      8.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 178, r1= 1.30, r2= 1.80, r3= 9.65, r4=10.15,
 igr1= 168, 172,
 &end
#
#  12 PHE  QE     13 SER  HA      8.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 180, r1= 1.30, r2= 1.80, r3= 9.65, r4=10.15,
 igr1= 168, 172,
 &end
#
#  12 PHE  QE     14 LEU  HN      8.10                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 189, r1= 1.30, r2= 1.80, r3= 9.09, r4= 9.59,
 igr1= 168, 172,
 &end
#
#  12 PHE  QE     14 LEU  QQD    11.17                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=16.90, r4=17.40,
 igr1= 168, 172,
 igr2= 202, 203, 204, 198, 199, 200,
 &end
#
#  12 PHE  QE     22 LYS+ HN      8.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 313, r1= 1.30, r2= 1.80, r3= 9.65, r4=10.15,
 igr1= 168, 172,
 &end
#
#  12 PHE  QE     23 THR  HN      8.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 335, r1= 1.30, r2= 1.80, r3= 9.65, r4=10.15,
 igr1= 168, 172,
 &end
#
#  12 PHE  QE     23 THR  HA      8.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 337, r1= 1.30, r2= 1.80, r3= 9.65, r4=10.15,
 igr1= 168, 172,
 &end
#
#  12 PHE  QE     24 ASP- HN      8.00                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 349, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
 igr1= 168, 172,
 &end
#
#  12 PHE  QE     24 ASP- HA      8.00                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 351, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
 igr1= 168, 172,
 &end
#
#  12 PHE  QE     25 LYS+ HN      8.00                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 361, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
 igr1= 168, 172,
 &end
#
#  12 PHE  QE     27 TYR  QD      9.50                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=11.97, r4=12.47,
 igr1= 168, 172,
 igr2= 403, 412,
 &end
#
#  12 PHE  QE     32 LEU  QQD    11.17                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=16.90, r4=17.40,
 igr1= 168, 172,
 igr2= 496, 497, 498, 492, 493, 494,
 &end
#
#  12 PHE  QE     71 LEU  QQD    11.17                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=16.90, r4=17.40,
 igr1= 168, 172,
 igr2=1108,1109,1110,1104,1105,1106,
 &end
#
#  12 PHE  QE     73 ILE  QG1     9.10                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=11.47, r4=11.97,
 igr1= 168, 172,
 igr2=1144,1145,
 &end
#
#  12 PHE  QE     73 ILE  QD1     9.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=12.94, r4=13.44,
 igr1= 168, 172,
 igr2=1147,1148,1149,
 &end
#
#  12 PHE  QE     99 LEU  QD1     9.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=12.94, r4=13.44,
 igr1= 168, 172,
 igr2=1556,1557,1558,
 &end
#
#  12 PHE  QE     99 LEU  QD2     9.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=12.94, r4=13.44,
 igr1= 168, 172,
 igr2=1560,1561,1562,
 &end
#
#  12 PHE  QE    109 VAL  QQG    11.16                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=16.89, r4=17.39,
 igr1= 168, 172,
 igr2=1706,1707,1708,1710,1711,1712,
 &end
#
#  12 PHE  QE    113 TYR  HH      8.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1773, r1= 1.30, r2= 1.80, r3= 9.65, r4=10.15,
 igr1= 168, 172,
 &end
#
#  12 PHE  HZ     22 LYS+ HN      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 170, 313, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  12 PHE  HZ     24 ASP- HA      5.50                
 &rst
  ixpk= 0, nxpk= 0, iat= 170, 351, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  12 PHE  HZ     25 LYS+ HN      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 170, 361, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  12 PHE  HZ     32 LEU  QQD     9.17                
 &rst
  ixpk= 0, nxpk= 0, iat= 170,  -1, r1= 1.30, r2= 1.80, r3=12.36, r4=12.86,
 igr2= 496, 497, 498, 492, 493, 494,
 &end
#
#  12 PHE  HZ     34 ILE  QD1     7.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 170,  -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr2= 534, 535, 536,
 &end
#
#  12 PHE  HZ     71 LEU  QQD     9.17                
 &rst
  ixpk= 0, nxpk= 0, iat= 170,  -1, r1= 1.30, r2= 1.80, r3=12.36, r4=12.86,
 igr2=1108,1109,1110,1104,1105,1106,
 &end
#
#  12 PHE  HZ     73 ILE  QG1     7.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 170,  -1, r1= 1.30, r2= 1.80, r3= 8.53, r4= 9.03,
 igr2=1144,1145,
 &end
#
#  12 PHE  HZ     73 ILE  QD1     7.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 170,  -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr2=1147,1148,1149,
 &end
#
#  12 PHE  HZ     99 LEU  QD1     7.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 170,  -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr2=1556,1557,1558,
 &end
#
#  12 PHE  HZ     99 LEU  QD2     7.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 170,  -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr2=1560,1561,1562,
 &end
#
#  12 PHE  HZ    109 VAL  QQG     9.16                
 &rst
  ixpk= 0, nxpk= 0, iat= 170,  -1, r1= 1.30, r2= 1.80, r3=12.35, r4=12.85,
 igr2=1706,1707,1708,1710,1711,1712,
 &end
#
#  13 SER  HN     14 LEU  HN      5.30                
 &rst
  ixpk= 0, nxpk= 0, iat= 178, 189, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,  &end
#
#  13 SER  HN     14 LEU  HG      5.50                
 &rst
  ixpk= 0, nxpk= 0, iat= 178, 196, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  13 SER  HN     14 LEU  QD1     7.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 178,  -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr2= 198, 199, 200,
 &end
#
#  13 SER  HN     14 LEU  QD2     7.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 178,  -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr2= 202, 203, 204,
 &end
#
#  13 SER  HN    105 GLU- HA      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 178,1642, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  13 SER  HN    105 GLU- QB      6.80                
 &rst
  ixpk= 0, nxpk= 0, iat= 178,  -1, r1= 1.30, r2= 1.80, r3= 7.63, r4= 8.13,
 igr2=1644,1645,
 &end
#
#  13 SER  HN    108 GLN  QB      7.50                
 &rst
  ixpk= 0, nxpk= 0, iat= 178,  -1, r1= 1.30, r2= 1.80, r3= 8.42, r4= 8.92,
 igr2=1687,1688,
 &end
#
#  13 SER  HN    108 GLN  QG      7.18                
 &rst
  ixpk= 0, nxpk= 0, iat= 178,  -1, r1= 1.30, r2= 1.80, r3= 8.06, r4= 8.56,
 igr2=1690,1691,
 &end
#
#  13 SER  HN    109 VAL  QQG     9.16                
 &rst
  ixpk= 0, nxpk= 0, iat= 178,  -1, r1= 1.30, r2= 1.80, r3=12.35, r4=12.85,
 igr2=1706,1707,1708,1710,1711,1712,
 &end
#
#  13 SER  HA     23 THR  HA      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 180, 337, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  13 SER  HA     23 THR  QG2     7.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 180,  -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr2= 341, 342, 343,
 &end
#
#  13 SER  HA     24 ASP- HN      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 180, 349, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  13 SER  HB2    14 LEU  HN      5.00                
 &rst
  ixpk= 0, nxpk= 0, iat= 182, 189, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  13 SER  HB2    23 THR  QG2     7.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 182,  -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr2= 341, 342, 343,
 &end
#
#  13 SER  HB3    14 LEU  HN      5.00                
 &rst
  ixpk= 0, nxpk= 0, iat= 183, 189, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  13 SER  HB3    23 THR  QG2     7.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 183,  -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr2= 341, 342, 343,
 &end
#
#  13 SER  QB     23 THR  QG2     7.45                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.04, r4=10.54,
 igr1= 182, 183,
 igr2= 341, 342, 343,
 &end
#
#  13 SER  QB     24 ASP- HN      6.98                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 349, r1= 1.30, r2= 1.80, r3= 7.83, r4= 8.33,
 igr1= 182, 183,
 &end
#
#  14 LEU  HN     14 LEU  HG      4.50                
 &rst
  ixpk= 0, nxpk= 0, iat= 189, 196, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  14 LEU  HN     14 LEU  QD1     5.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 189,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 198, 199, 200,
 &end
#
#  14 LEU  HN     14 LEU  QD2     5.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 189,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 202, 203, 204,
 &end
#
#  14 LEU  HN     14 LEU  QQD     5.12                
 &rst
  ixpk= 0, nxpk= 0, iat= 189,  -1, r1= 1.30, r2= 1.80, r3= 6.90, r4= 7.40,
 igr2= 202, 203, 204, 198, 199, 200,
 &end
#
#  14 LEU  HN     21 ARG+ HD2     6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 189, 299, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  14 LEU  HN     21 ARG+ HD3     6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 189, 300, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  14 LEU  HN     22 LYS+ HN      5.00                
 &rst
  ixpk= 0, nxpk= 0, iat= 189, 313, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  14 LEU  HN     23 THR  HA      4.80                
 &rst
  ixpk= 0, nxpk= 0, iat= 189, 337, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,  &end
#
#  14 LEU  HN     23 THR  HB      5.70                
 &rst
  ixpk= 0, nxpk= 0, iat= 189, 339, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,  &end
#
#  14 LEU  HN     23 THR  QG2     5.80                
 &rst
  ixpk= 0, nxpk= 0, iat= 189,  -1, r1= 1.30, r2= 1.80, r3= 6.97, r4= 7.47,
 igr2= 341, 342, 343,
 &end
#
#  14 LEU  HA     14 LEU  QD1     7.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 191,  -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr2= 198, 199, 200,
 &end
#
#  14 LEU  HA     14 LEU  QD2     7.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 191,  -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr2= 202, 203, 204,
 &end
#
#  14 LEU  HA    100 THR  HN      5.70                
 &rst
  ixpk= 0, nxpk= 0, iat= 191,1566, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,  &end
#
#  14 LEU  HB2    15 THR  HN      4.70                
 &rst
  ixpk= 0, nxpk= 0, iat= 193, 208, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,  &end
#
#  14 LEU  HB3    15 THR  HN      4.70                
 &rst
  ixpk= 0, nxpk= 0, iat= 194, 208, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,  &end
#
#  14 LEU  QB    100 THR  HN      7.48                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1566, r1= 1.30, r2= 1.80, r3= 8.40, r4= 8.90,
 igr1= 193, 194,
 &end
#
#  14 LEU  HG     15 THR  HN      6.50                
 &rst
  ixpk= 0, nxpk= 0, iat= 196, 208, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,  &end
#
#  14 LEU  HG    100 THR  HN      5.70                
 &rst
  ixpk= 0, nxpk= 0, iat= 196,1566, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,  &end
#
#  14 LEU  QD1    15 THR  HN      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 208, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr1= 198, 199, 200,
 &end
#
#  14 LEU  QD1    99 LEU  HB2    10.74                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1551, r1= 1.30, r2= 1.80, r3=12.90, r4=13.40,
 igr1= 198, 199, 200,
 &end
#
#  14 LEU  QD1    99 LEU  HB3    10.74                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1552, r1= 1.30, r2= 1.80, r3=12.90, r4=13.40,
 igr1= 198, 199, 200,
 &end
#
#  14 LEU  QD1   101 GLY  HA2    10.74                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1582, r1= 1.30, r2= 1.80, r3=12.90, r4=13.40,
 igr1= 198, 199, 200,
 &end
#
#  14 LEU  QD1   101 GLY  HA3    10.74                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1583, r1= 1.30, r2= 1.80, r3=12.90, r4=13.40,
 igr1= 198, 199, 200,
 &end
#
#  14 LEU  QD2    15 THR  HN      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 208, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr1= 202, 203, 204,
 &end
#
#  14 LEU  QD2    99 LEU  HB2    10.74                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1551, r1= 1.30, r2= 1.80, r3=12.90, r4=13.40,
 igr1= 202, 203, 204,
 &end
#
#  14 LEU  QD2    99 LEU  HB3    10.74                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1552, r1= 1.30, r2= 1.80, r3=12.90, r4=13.40,
 igr1= 202, 203, 204,
 &end
#
#  14 LEU  QD2   101 GLY  HA2    10.74                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1582, r1= 1.30, r2= 1.80, r3=12.90, r4=13.40,
 igr1= 202, 203, 204,
 &end
#
#  14 LEU  QD2   101 GLY  HA3    10.74                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1583, r1= 1.30, r2= 1.80, r3=12.90, r4=13.40,
 igr1= 202, 203, 204,
 &end
#
#  14 LEU  QQD    15 THR  HN      6.80                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 208, r1= 1.30, r2= 1.80, r3= 9.17, r4= 9.67,
 igr1= 202, 203, 204, 198, 199, 200,
 &end
#
#  14 LEU  QQD    73 ILE  QD1     6.67                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.80, r4=11.30,
 igr1= 202, 203, 204, 198, 199, 200,
 igr2=1147,1148,1149,
 &end
#
#  14 LEU  QQD    99 LEU  HA      9.17                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1549, r1= 1.30, r2= 1.80, r3=12.36, r4=12.86,
 igr1= 202, 203, 204, 198, 199, 200,
 &end
#
#  14 LEU  QQD    99 LEU  QB      9.13                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=13.81, r4=14.31,
 igr1= 202, 203, 204, 198, 199, 200,
 igr2=1551,1552,
 &end
#
#  14 LEU  QQD    99 LEU  HG      9.17                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1554, r1= 1.30, r2= 1.80, r3=12.36, r4=12.86,
 igr1= 202, 203, 204, 198, 199, 200,
 &end
#
#  14 LEU  QQD   100 THR  HN      8.97                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1566, r1= 1.30, r2= 1.80, r3=12.09, r4=12.59,
 igr1= 202, 203, 204, 198, 199, 200,
 &end
#
#  14 LEU  QQD   100 THR  HA      9.17                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1568, r1= 1.30, r2= 1.80, r3=12.36, r4=12.86,
 igr1= 202, 203, 204, 198, 199, 200,
 &end
#
#  14 LEU  QQD   100 THR  HB      9.17                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1570, r1= 1.30, r2= 1.80, r3=12.36, r4=12.86,
 igr1= 202, 203, 204, 198, 199, 200,
 &end
#
#  14 LEU  QQD   101 GLY  HN      9.17                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1580, r1= 1.30, r2= 1.80, r3=12.36, r4=12.86,
 igr1= 202, 203, 204, 198, 199, 200,
 &end
#
#  14 LEU  QQD   101 GLY  QA      9.13                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=13.81, r4=14.31,
 igr1= 202, 203, 204, 198, 199, 200,
 igr2=1582,1583,
 &end
#
#  14 LEU  QQD   102 THR  HN      9.17                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1587, r1= 1.30, r2= 1.80, r3=12.36, r4=12.86,
 igr1= 202, 203, 204, 198, 199, 200,
 &end
#
#  14 LEU  QQD   109 VAL  HN      9.17                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1700, r1= 1.30, r2= 1.80, r3=12.36, r4=12.86,
 igr1= 202, 203, 204, 198, 199, 200,
 &end
#
#  14 LEU  QQD   109 VAL  HA      9.17                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1702, r1= 1.30, r2= 1.80, r3=12.36, r4=12.86,
 igr1= 202, 203, 204, 198, 199, 200,
 &end
#
#  14 LEU  QQD   109 VAL  HB      9.17                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1704, r1= 1.30, r2= 1.80, r3=12.36, r4=12.86,
 igr1= 202, 203, 204, 198, 199, 200,
 &end
#
#  14 LEU  QQD   109 VAL  QQG    11.73                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=21.31, r4=21.81,
 igr1= 202, 203, 204, 198, 199, 200,
 igr2=1706,1707,1708,1710,1711,1712,
 &end
#
#  15 THR  HN     16 THR  HA      5.80                
 &rst
  ixpk= 0, nxpk= 0, iat= 208, 224, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,  &end
#
#  15 THR  HN     99 LEU  HA      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 208,1549, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  15 THR  HN     99 LEU  QB      7.48                
 &rst
  ixpk= 0, nxpk= 0, iat= 208,  -1, r1= 1.30, r2= 1.80, r3= 8.40, r4= 8.90,
 igr2=1551,1552,
 &end
#
#  15 THR  HN    100 THR  HN      5.30                
 &rst
  ixpk= 0, nxpk= 0, iat= 208,1566, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,  &end
#
#  15 THR  HN    100 THR  HB      6.20                
 &rst
  ixpk= 0, nxpk= 0, iat= 208,1570, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70,  &end
#
#  15 THR  HN    100 THR  QG2     6.70                
 &rst
  ixpk= 0, nxpk= 0, iat= 208,  -1, r1= 1.30, r2= 1.80, r3= 8.05, r4= 8.55,
 igr2=1572,1573,1574,
 &end
#
#  15 THR  HN    101 GLY  QA      7.48                
 &rst
  ixpk= 0, nxpk= 0, iat= 208,  -1, r1= 1.30, r2= 1.80, r3= 8.40, r4= 8.90,
 igr2=1582,1583,
 &end
#
#  15 THR  HA     21 ARG+ HN      5.70                
 &rst
  ixpk= 0, nxpk= 0, iat= 210, 289, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,  &end
#
#  15 THR  HA     21 ARG+ HA      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 210, 291, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  15 THR  HA     21 ARG+ QB      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 210,  -1, r1= 1.30, r2= 1.80, r3= 8.53, r4= 9.03,
 igr2= 293, 294,
 &end
#
#  15 THR  HA     21 ARG+ HG2     6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 210, 296, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  15 THR  HA     21 ARG+ HG3     6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 210, 297, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  15 THR  HA     21 ARG+ QD      7.38                
 &rst
  ixpk= 0, nxpk= 0, iat= 210,  -1, r1= 1.30, r2= 1.80, r3= 8.28, r4= 8.78,
 igr2= 299, 300,
 &end
#
#  15 THR  HA     22 LYS+ HN      5.20                
 &rst
  ixpk= 0, nxpk= 0, iat= 210, 313, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,  &end
#
#  15 THR  HA    100 THR  HN      5.40                
 &rst
  ixpk= 0, nxpk= 0, iat= 210,1566, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,  &end
#
#  15 THR  HB     16 THR  HN      4.80                
 &rst
  ixpk= 0, nxpk= 0, iat= 212, 222, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,  &end
#
#  15 THR  HB     19 GLY  HN      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 212, 267, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  15 THR  HB     22 LYS+ HN      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 212, 313, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  15 THR  HB     82 LYS+ QG      6.28                
 &rst
  ixpk= 0, nxpk= 0, iat= 212,  -1, r1= 1.30, r2= 1.80, r3= 7.05, r4= 7.55,
 igr2=1281,1282,
 &end
#
#  15 THR  HB     99 LEU  QQD     9.17                
 &rst
  ixpk= 0, nxpk= 0, iat= 212,  -1, r1= 1.30, r2= 1.80, r3=12.36, r4=12.86,
 igr2=1560,1561,1562,1556,1557,1558,
 &end
#
#  15 THR  HB    100 THR  HN      5.50                
 &rst
  ixpk= 0, nxpk= 0, iat= 212,1566, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  15 THR  QG2    16 THR  HN      5.90                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 222, r1= 1.30, r2= 1.80, r3= 7.09, r4= 7.59,
 igr1= 214, 215, 216,
 &end
#
#  15 THR  QG2    17 HIST HN      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 236, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr1= 214, 215, 216,
 &end
#
#  15 THR  QG2    18 THR  HN      7.40                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 253, r1= 1.30, r2= 1.80, r3= 8.89, r4= 9.39,
 igr1= 214, 215, 216,
 &end
#
#  15 THR  QG2    19 GLY  HN      6.10                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 267, r1= 1.30, r2= 1.80, r3= 7.33, r4= 7.83,
 igr1= 214, 215, 216,
 &end
#
#  15 THR  QG2    19 GLY  HA2     7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 269, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr1= 214, 215, 216,
 &end
#
#  15 THR  QG2    19 GLY  HA3     7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 270, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr1= 214, 215, 216,
 &end
#
#  15 THR  QG2    20 GLU- HN      6.10                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 274, r1= 1.30, r2= 1.80, r3= 7.33, r4= 7.83,
 igr1= 214, 215, 216,
 &end
#
#  15 THR  QG2    21 ARG+ HN      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 289, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
 igr1= 214, 215, 216,
 &end
#
#  16 THR  HN     16 THR  QG2     4.80                
 &rst
  ixpk= 0, nxpk= 0, iat= 222,  -1, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26,
 igr2= 228, 229, 230,
 &end
#
#  16 THR  HN     16 THR  HG1     5.80                
 &rst
  ixpk= 0, nxpk= 0, iat= 222, 232, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,  &end
#
#  16 THR  HN     17 HIST HN      5.00                
 &rst
  ixpk= 0, nxpk= 0, iat= 222, 236, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  16 THR  HN     18 THR  HN      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 222, 253, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  16 THR  HN     19 GLY  HN      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 222, 267, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  16 THR  HN     20 GLU- HN      5.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 222, 274, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,  &end
#
#  16 THR  HN     20 GLU- HA      6.20                
 &rst
  ixpk= 0, nxpk= 0, iat= 222, 276, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70,  &end
#
#  16 THR  HN     20 GLU- QB      7.30                
 &rst
  ixpk= 0, nxpk= 0, iat= 222,  -1, r1= 1.30, r2= 1.80, r3= 8.19, r4= 8.69,
 igr2= 278, 279,
 &end
#
#  16 THR  HN     21 ARG+ HA      5.30                
 &rst
  ixpk= 0, nxpk= 0, iat= 222, 291, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,  &end
#
#  16 THR  HN     21 ARG+ QG      7.48                
 &rst
  ixpk= 0, nxpk= 0, iat= 222,  -1, r1= 1.30, r2= 1.80, r3= 8.40, r4= 8.90,
 igr2= 296, 297,
 &end
#
#  16 THR  HN     99 LEU  HA      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 222,1549, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  16 THR  HN     99 LEU  QQD     8.37                
 &rst
  ixpk= 0, nxpk= 0, iat= 222,  -1, r1= 1.30, r2= 1.80, r3=11.28, r4=11.78,
 igr2=1560,1561,1562,1556,1557,1558,
 &end
#
#  16 THR  HA     18 THR  HN      5.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 224, 253, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,  &end
#
#  16 THR  HA     97 VAL  HA      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 224,1526, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  16 THR  HA     98 GLY  HN      4.70                
 &rst
  ixpk= 0, nxpk= 0, iat= 224,1540, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,  &end
#
#  16 THR  HA     99 LEU  HA      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 224,1549, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  16 THR  HA     99 LEU  HB2     6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 224,1551, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  16 THR  HA     99 LEU  HB3     6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 224,1552, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  16 THR  HA     99 LEU  QB      6.06                
 &rst
  ixpk= 0, nxpk= 0, iat= 224,  -1, r1= 1.30, r2= 1.80, r3= 6.80, r4= 7.30,
 igr2=1551,1552,
 &end
#
#  16 THR  HA     99 LEU  HG      5.90                
 &rst
  ixpk= 0, nxpk= 0, iat= 224,1554, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,  &end
#
#  16 THR  HA     99 LEU  QD1     7.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 224,  -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr2=1556,1557,1558,
 &end
#
#  16 THR  HA     99 LEU  QD2     7.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 224,  -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr2=1560,1561,1562,
 &end
#
#  16 THR  HA    100 THR  HN      6.10                
 &rst
  ixpk= 0, nxpk= 0, iat= 224,1566, r1= 1.30, r2= 1.80, r3= 6.10, r4= 6.60,  &end
#
#  16 THR  HB     17 HIST HN      4.50                
 &rst
  ixpk= 0, nxpk= 0, iat= 226, 236, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  16 THR  HB     18 THR  HN      4.90                
 &rst
  ixpk= 0, nxpk= 0, iat= 226, 253, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,  &end
#
#  16 THR  HB     19 GLY  HN      6.30                
 &rst
  ixpk= 0, nxpk= 0, iat= 226, 267, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,  &end
#
#  16 THR  HB     20 GLU- HN      5.70                
 &rst
  ixpk= 0, nxpk= 0, iat= 226, 274, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,  &end
#
#  16 THR  HB     97 VAL  QQG     9.16                
 &rst
  ixpk= 0, nxpk= 0, iat= 226,  -1, r1= 1.30, r2= 1.80, r3=12.35, r4=12.85,
 igr2=1530,1531,1532,1534,1535,1536,
 &end
#
#  16 THR  HB     98 GLY  HN      5.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 226,1540, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,  &end
#
#  16 THR  HB     99 LEU  QQD     9.17                
 &rst
  ixpk= 0, nxpk= 0, iat= 226,  -1, r1= 1.30, r2= 1.80, r3=12.36, r4=12.86,
 igr2=1560,1561,1562,1556,1557,1558,
 &end
#
#  16 THR  QG2    17 HIST HN      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 236, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
 igr1= 228, 229, 230,
 &end
#
#  16 THR  QG2    18 THR  HN      5.90                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 253, r1= 1.30, r2= 1.80, r3= 7.09, r4= 7.59,
 igr1= 228, 229, 230,
 &end
#
#  16 THR  QG2    20 GLU- HN      6.10                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 274, r1= 1.30, r2= 1.80, r3= 7.33, r4= 7.83,
 igr1= 228, 229, 230,
 &end
#
#  16 THR  QG2    22 LYS+ QB      8.08                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.89, r4=11.39,
 igr1= 228, 229, 230,
 igr2= 317, 318,
 &end
#
#  16 THR  QG2    98 GLY  HN      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1540, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr1= 228, 229, 230,
 &end
#
#  16 THR  QG2    99 LEU  HA      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1549, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr1= 228, 229, 230,
 &end
#
#  16 THR  QG2    99 LEU  QQD     7.57                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=12.25, r4=12.75,
 igr1= 228, 229, 230,
 igr2=1560,1561,1562,1556,1557,1558,
 &end
#
#  16 THR  HG1    17 HIST HN      5.70                
 &rst
  ixpk= 0, nxpk= 0, iat= 232, 236, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,  &end
#
#  16 THR  HG1    18 THR  HN      4.50                
 &rst
  ixpk= 0, nxpk= 0, iat= 232, 253, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  16 THR  HG1    19 GLY  HN      5.70                
 &rst
  ixpk= 0, nxpk= 0, iat= 232, 267, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,  &end
#
#  16 THR  HG1    20 GLU- HN      4.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 232, 274, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,  &end
#
#  16 THR  HG1    20 GLU- QG      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 232,  -1, r1= 1.30, r2= 1.80, r3= 8.53, r4= 9.03,
 igr2= 281, 282,
 &end
#
#  16 THR  HG1    99 LEU  QQD     9.17                
 &rst
  ixpk= 0, nxpk= 0, iat= 232,  -1, r1= 1.30, r2= 1.80, r3=12.36, r4=12.86,
 igr2=1560,1561,1562,1556,1557,1558,
 &end
#
#  17 HIST HN     17 HIST HD2     6.40                
 &rst
  ixpk= 0, nxpk= 0, iat= 236, 249, r1= 1.30, r2= 1.80, r3= 6.40, r4= 6.90,  &end
#
#  17 HIST HN     17 HIST HE1     6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 236, 245, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  17 HIST HN     18 THR  HN      4.30                
 &rst
  ixpk= 0, nxpk= 0, iat= 236, 253, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,  &end
#
#  17 HIST HN     19 GLY  HN      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 236, 267, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  17 HIST HN     20 GLU- HN      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 236, 274, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  17 HIST HN     86 ALA  HA      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 236,1342, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  17 HIST HN     97 VAL  QQG     9.16                
 &rst
  ixpk= 0, nxpk= 0, iat= 236,  -1, r1= 1.30, r2= 1.80, r3=12.35, r4=12.85,
 igr2=1530,1531,1532,1534,1535,1536,
 &end
#
#  17 HIST HN     98 GLY  HN      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 236,1540, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  17 HIST HN     99 LEU  HA      6.40                
 &rst
  ixpk= 0, nxpk= 0, iat= 236,1549, r1= 1.30, r2= 1.80, r3= 6.40, r4= 6.90,  &end
#
#  17 HIST HA     17 HIST HD2     6.40                
 &rst
  ixpk= 0, nxpk= 0, iat= 238, 249, r1= 1.30, r2= 1.80, r3= 6.40, r4= 6.90,  &end
#
#  17 HIST HA     82 LYS+ HA      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 238,1276, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  17 HIST HA     82 LYS+ HB2     6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 238,1278, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  17 HIST HA     82 LYS+ HB3     6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 238,1279, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  17 HIST HA     82 LYS+ QB      5.97                
 &rst
  ixpk= 0, nxpk= 0, iat= 238,  -1, r1= 1.30, r2= 1.80, r3= 6.70, r4= 7.20,
 igr2=1278,1279,
 &end
#
#  17 HIST HA     82 LYS+ QG      7.48                
 &rst
  ixpk= 0, nxpk= 0, iat= 238,  -1, r1= 1.30, r2= 1.80, r3= 8.40, r4= 8.90,
 igr2=1281,1282,
 &end
#
#  17 HIST HA     82 LYS+ QD      7.48                
 &rst
  ixpk= 0, nxpk= 0, iat= 238,  -1, r1= 1.30, r2= 1.80, r3= 8.40, r4= 8.90,
 igr2=1284,1285,
 &end
#
#  17 HIST HA     86 ALA  HN      5.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 238,1340, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,  &end
#
#  17 HIST HA     86 ALA  QB      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 238,  -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr2=1344,1345,1346,
 &end
#
#  17 HIST HB2    18 THR  HN      5.10                
 &rst
  ixpk= 0, nxpk= 0, iat= 240, 253, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,  &end
#
#  17 HIST HB2    19 GLY  HN      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 240, 267, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  17 HIST HB2    82 LYS+ HA      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 240,1276, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  17 HIST HB2    85 ILE  QG2     7.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 240,  -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr2=1327,1328,1329,
 &end
#
#  17 HIST HB2    86 ALA  HN      5.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 240,1340, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,  &end
#
#  17 HIST HB2    86 ALA  QB      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 240,  -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr2=1344,1345,1346,
 &end
#
#  17 HIST HB2    98 GLY  HN      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 240,1540, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  17 HIST HB2    98 GLY  HA2     8.35                
 &rst
  ixpk= 0, nxpk= 0, iat= 240,1542, r1= 1.30, r2= 1.80, r3= 8.35, r4= 8.85,  &end
#
#  17 HIST HB2    98 GLY  HA3     8.35                
 &rst
  ixpk= 0, nxpk= 0, iat= 240,1543, r1= 1.30, r2= 1.80, r3= 8.35, r4= 8.85,  &end
#
#  17 HIST HB3    18 THR  HN      5.10                
 &rst
  ixpk= 0, nxpk= 0, iat= 241, 253, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,  &end
#
#  17 HIST HB3    19 GLY  HN      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 241, 267, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  17 HIST HB3    82 LYS+ HA      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 241,1276, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  17 HIST HB3    85 ILE  QG2     7.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 241,  -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr2=1327,1328,1329,
 &end
#
#  17 HIST HB3    86 ALA  HN      5.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 241,1340, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,  &end
#
#  17 HIST HB3    86 ALA  QB      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 241,  -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr2=1344,1345,1346,
 &end
#
#  17 HIST HB3    98 GLY  HN      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 241,1540, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  17 HIST HB3    98 GLY  HA2     8.35                
 &rst
  ixpk= 0, nxpk= 0, iat= 241,1542, r1= 1.30, r2= 1.80, r3= 8.35, r4= 8.85,  &end
#
#  17 HIST HB3    98 GLY  HA3     8.35                
 &rst
  ixpk= 0, nxpk= 0, iat= 241,1543, r1= 1.30, r2= 1.80, r3= 8.35, r4= 8.85,  &end
#
#  17 HIST QB     18 THR  HN      4.68                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 253, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75,
 igr1= 240, 241,
 &end
#
#  17 HIST QB     19 GLY  HN      6.20                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 267, r1= 1.30, r2= 1.80, r3= 6.96, r4= 7.46,
 igr1= 240, 241,
 &end
#
#  17 HIST QB     86 ALA  HA      7.48                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1342, r1= 1.30, r2= 1.80, r3= 8.40, r4= 8.90,
 igr1= 240, 241,
 &end
#
#  17 HIST QB     98 GLY  HN      6.25                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1540, r1= 1.30, r2= 1.80, r3= 7.02, r4= 7.52,
 igr1= 240, 241,
 &end
#
#  17 HIST QB     98 GLY  QA      7.42                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.35, r4= 9.85,
 igr1= 240, 241,
 igr2=1542,1543,
 &end
#
#  17 HIST QB     99 LEU  HN      7.48                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1547, r1= 1.30, r2= 1.80, r3= 8.40, r4= 8.90,
 igr1= 240, 241,
 &end
#
#  17 HIST HD2    18 THR  HN      5.50                
 &rst
  ixpk= 0, nxpk= 0, iat= 249, 253, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  17 HIST HD2    86 ALA  HN      5.70                
 &rst
  ixpk= 0, nxpk= 0, iat= 249,1340, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,  &end
#
#  17 HIST HD2    86 ALA  HA      5.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 249,1342, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,  &end
#
#  17 HIST HD2    86 ALA  QB      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 249,  -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr2=1344,1345,1346,
 &end
#
#  17 HIST HD2    98 GLY  HN      6.30                
 &rst
  ixpk= 0, nxpk= 0, iat= 249,1540, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,  &end
#
#  17 HIST HE1    18 THR  HN      6.00                
 &rst
  ixpk= 0, nxpk= 0, iat= 245, 253, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#  17 HIST HE1    86 ALA  HA      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 245,1342, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  17 HIST HE1    97 VAL  HN      6.10                
 &rst
  ixpk= 0, nxpk= 0, iat= 245,1524, r1= 1.30, r2= 1.80, r3= 6.10, r4= 6.60,  &end
#
#  17 HIST HE1    97 VAL  HA      4.80                
 &rst
  ixpk= 0, nxpk= 0, iat= 245,1526, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,  &end
#
#  17 HIST HE1    97 VAL  HB      6.30                
 &rst
  ixpk= 0, nxpk= 0, iat= 245,1528, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,  &end
#
#  17 HIST HE1    97 VAL  QQG     8.46                
 &rst
  ixpk= 0, nxpk= 0, iat= 245,  -1, r1= 1.30, r2= 1.80, r3=11.40, r4=11.90,
 igr2=1530,1531,1532,1534,1535,1536,
 &end
#
#  17 HIST HE1    98 GLY  HN      5.70                
 &rst
  ixpk= 0, nxpk= 0, iat= 245,1540, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,  &end
#
#  18 THR  HN     18 THR  QG2     4.20                
 &rst
  ixpk= 0, nxpk= 0, iat= 253,  -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr2= 259, 260, 261,
 &end
#
#  18 THR  HN     19 GLY  HN      3.90                
 &rst
  ixpk= 0, nxpk= 0, iat= 253, 267, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40,  &end
#
#  18 THR  HN     20 GLU- HN      5.20                
 &rst
  ixpk= 0, nxpk= 0, iat= 253, 274, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,  &end
#
#  18 THR  HN     20 GLU- QB      7.20                
 &rst
  ixpk= 0, nxpk= 0, iat= 253,  -1, r1= 1.30, r2= 1.80, r3= 8.08, r4= 8.58,
 igr2= 278, 279,
 &end
#
#  18 THR  HN     20 GLU- QG      7.50                
 &rst
  ixpk= 0, nxpk= 0, iat= 253,  -1, r1= 1.30, r2= 1.80, r3= 8.42, r4= 8.92,
 igr2= 281, 282,
 &end
#
#  18 THR  HN     97 VAL  QQG     8.26                
 &rst
  ixpk= 0, nxpk= 0, iat= 253,  -1, r1= 1.30, r2= 1.80, r3=11.13, r4=11.63,
 igr2=1530,1531,1532,1534,1535,1536,
 &end
#
#  18 THR  HN     99 LEU  QQD     9.17                
 &rst
  ixpk= 0, nxpk= 0, iat= 253,  -1, r1= 1.30, r2= 1.80, r3=12.36, r4=12.86,
 igr2=1560,1561,1562,1556,1557,1558,
 &end
#
#  18 THR  HB     19 GLY  HN      5.80                
 &rst
  ixpk= 0, nxpk= 0, iat= 257, 267, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,  &end
#
#  18 THR  QG2    19 GLY  HN      6.90                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 267, r1= 1.30, r2= 1.80, r3= 8.29, r4= 8.79,
 igr1= 259, 260, 261,
 &end
#
#  18 THR  QG2    20 GLU- HN      7.20                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 274, r1= 1.30, r2= 1.80, r3= 8.65, r4= 9.15,
 igr1= 259, 260, 261,
 &end
#
#  19 GLY  HN     20 GLU- HN      4.00                
 &rst
  ixpk= 0, nxpk= 0, iat= 267, 274, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  19 GLY  HN     20 GLU- QB      6.40                
 &rst
  ixpk= 0, nxpk= 0, iat= 267,  -1, r1= 1.30, r2= 1.80, r3= 7.18, r4= 7.68,
 igr2= 278, 279,
 &end
#
#  19 GLY  HN     20 GLU- QG      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 267,  -1, r1= 1.30, r2= 1.80, r3= 8.53, r4= 9.03,
 igr2= 281, 282,
 &end
#
#  19 GLY  HN     82 LYS+ QE      7.50                
 &rst
  ixpk= 0, nxpk= 0, iat= 267,  -1, r1= 1.30, r2= 1.80, r3= 8.42, r4= 8.92,
 igr2=1287,1288,
 &end
#
#  19 GLY  HA2    82 LYS+ HG2     6.95                
 &rst
  ixpk= 0, nxpk= 0, iat= 269,1281, r1= 1.30, r2= 1.80, r3= 6.95, r4= 7.45,  &end
#
#  19 GLY  HA2    82 LYS+ HG3     6.95                
 &rst
  ixpk= 0, nxpk= 0, iat= 269,1282, r1= 1.30, r2= 1.80, r3= 6.95, r4= 7.45,  &end
#
#  19 GLY  HA2    82 LYS+ HD2     7.95                
 &rst
  ixpk= 0, nxpk= 0, iat= 269,1284, r1= 1.30, r2= 1.80, r3= 7.95, r4= 8.45,  &end
#
#  19 GLY  HA2    82 LYS+ HD3     7.95                
 &rst
  ixpk= 0, nxpk= 0, iat= 269,1285, r1= 1.30, r2= 1.80, r3= 7.95, r4= 8.45,  &end
#
#  19 GLY  HA3    82 LYS+ HG2     6.95                
 &rst
  ixpk= 0, nxpk= 0, iat= 270,1281, r1= 1.30, r2= 1.80, r3= 6.95, r4= 7.45,  &end
#
#  19 GLY  HA3    82 LYS+ HG3     6.95                
 &rst
  ixpk= 0, nxpk= 0, iat= 270,1282, r1= 1.30, r2= 1.80, r3= 6.95, r4= 7.45,  &end
#
#  19 GLY  HA3    82 LYS+ HD2     7.95                
 &rst
  ixpk= 0, nxpk= 0, iat= 270,1284, r1= 1.30, r2= 1.80, r3= 7.95, r4= 8.45,  &end
#
#  19 GLY  HA3    82 LYS+ HD3     7.95                
 &rst
  ixpk= 0, nxpk= 0, iat= 270,1285, r1= 1.30, r2= 1.80, r3= 7.95, r4= 8.45,  &end
#
#  19 GLY  QA     82 LYS+ QG      5.72                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 269, 270,
 igr2=1281,1282,
 &end
#
#  19 GLY  QA     82 LYS+ QD      6.54                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.24, r4= 8.74,
 igr1= 269, 270,
 igr2=1284,1285,
 &end
#
#  20 GLU- HN     20 GLU- QG      5.20                
 &rst
  ixpk= 0, nxpk= 0, iat= 274,  -1, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
 igr2= 281, 282,
 &end
#
#  20 GLU- HN     21 ARG+ HN      4.70                
 &rst
  ixpk= 0, nxpk= 0, iat= 274, 289, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,  &end
#
#  20 GLU- HA     21 ARG+ HN      3.30                
 &rst
  ixpk= 0, nxpk= 0, iat= 276, 289, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
#  20 GLU- QB     21 ARG+ HN      4.50                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 289, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 278, 279,
 &end
#
#  20 GLU- QG     21 ARG+ HN      5.90                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 289, r1= 1.30, r2= 1.80, r3= 6.62, r4= 7.12,
 igr1= 281, 282,
 &end
#
#  21 ARG+ HN     21 ARG+ QG      4.78                
 &rst
  ixpk= 0, nxpk= 0, iat= 289,  -1, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,
 igr2= 296, 297,
 &end
#
#  21 ARG+ HN     21 ARG+ HD2     5.80                
 &rst
  ixpk= 0, nxpk= 0, iat= 289, 299, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,  &end
#
#  21 ARG+ HN     21 ARG+ HD3     5.80                
 &rst
  ixpk= 0, nxpk= 0, iat= 289, 300, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,  &end
#
#  21 ARG+ HN     21 ARG+ QD      5.30                
 &rst
  ixpk= 0, nxpk= 0, iat= 289,  -1, r1= 1.30, r2= 1.80, r3= 5.95, r4= 6.45,
 igr2= 299, 300,
 &end
#
#  21 ARG+ HN     22 LYS+ HN      5.40                
 &rst
  ixpk= 0, nxpk= 0, iat= 289, 313, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,  &end
#
#  21 ARG+ HA     21 ARG+ HD2     6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 291, 299, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  21 ARG+ HA     21 ARG+ HD3     6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 291, 300, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  21 ARG+ HG2    22 LYS+ HN      5.80                
 &rst
  ixpk= 0, nxpk= 0, iat= 296, 313, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,  &end
#
#  21 ARG+ HG3    22 LYS+ HN      5.80                
 &rst
  ixpk= 0, nxpk= 0, iat= 297, 313, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,  &end
#
#  21 ARG+ HD2    22 LYS+ HN      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 299, 313, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  21 ARG+ HD2    23 THR  QG2     7.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 299,  -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr2= 341, 342, 343,
 &end
#
#  21 ARG+ HD3    22 LYS+ HN      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 300, 313, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  21 ARG+ HD3    23 THR  QG2     7.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 300,  -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr2= 341, 342, 343,
 &end
#
#  21 ARG+ QD     22 LYS+ HN      6.44                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 313, r1= 1.30, r2= 1.80, r3= 7.23, r4= 7.73,
 igr1= 299, 300,
 &end
#
#  22 LYS+ HN     22 LYS+ HG2     5.90                
 &rst
  ixpk= 0, nxpk= 0, iat= 313, 320, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,  &end
#
#  22 LYS+ HN     22 LYS+ HG3     5.90                
 &rst
  ixpk= 0, nxpk= 0, iat= 313, 321, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,  &end
#
#  22 LYS+ HN     22 LYS+ QG      5.59                
 &rst
  ixpk= 0, nxpk= 0, iat= 313,  -1, r1= 1.30, r2= 1.80, r3= 6.27, r4= 6.77,
 igr2= 320, 321,
 &end
#
#  22 LYS+ HN     22 LYS+ HD2     5.80                
 &rst
  ixpk= 0, nxpk= 0, iat= 313, 323, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,  &end
#
#  22 LYS+ HN     22 LYS+ HD3     5.80                
 &rst
  ixpk= 0, nxpk= 0, iat= 313, 324, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,  &end
#
#  22 LYS+ HN     22 LYS+ HE2     6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 313, 326, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  22 LYS+ HN     22 LYS+ HE3     6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 313, 327, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  22 LYS+ HN     22 LYS+ QE      6.39                
 &rst
  ixpk= 0, nxpk= 0, iat= 313,  -1, r1= 1.30, r2= 1.80, r3= 7.17, r4= 7.67,
 igr2= 326, 327,
 &end
#
#  22 LYS+ HN     23 THR  QG2     7.30                
 &rst
  ixpk= 0, nxpk= 0, iat= 313,  -1, r1= 1.30, r2= 1.80, r3= 8.77, r4= 9.27,
 igr2= 341, 342, 343,
 &end
#
#  22 LYS+ HN     27 TYR  QD      8.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 313,  -1, r1= 1.30, r2= 1.80, r3= 9.65, r4=10.15,
 igr2= 403, 412,
 &end
#
#  22 LYS+ HA     22 LYS+ HD2     6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 315, 323, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  22 LYS+ HA     22 LYS+ HD3     6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 315, 324, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  22 LYS+ HA     22 LYS+ HE2     6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 315, 326, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  22 LYS+ HA     22 LYS+ HE3     6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 315, 327, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  22 LYS+ HA     23 THR  QG2     7.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 315,  -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr2= 341, 342, 343,
 &end
#
#  22 LYS+ HA     26 ASP- HN      5.80                
 &rst
  ixpk= 0, nxpk= 0, iat= 315, 383, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,  &end
#
#  22 LYS+ HA     26 ASP- HB2     6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 315, 387, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  22 LYS+ HA     26 ASP- HB3     6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 315, 388, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  22 LYS+ HA     27 TYR  QD      8.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 315,  -1, r1= 1.30, r2= 1.80, r3= 9.65, r4=10.15,
 igr2= 403, 412,
 &end
#
#  22 LYS+ HB2    22 LYS+ HD2     4.15                
 &rst
  ixpk= 0, nxpk= 0, iat= 317, 323, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65,  &end
#
#  22 LYS+ HB2    22 LYS+ HD3     4.15                
 &rst
  ixpk= 0, nxpk= 0, iat= 317, 324, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65,  &end
#
#  22 LYS+ HB2    22 LYS+ HE2     6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 317, 326, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  22 LYS+ HB2    22 LYS+ HE3     6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 317, 327, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  22 LYS+ HB2    23 THR  HN      4.80                
 &rst
  ixpk= 0, nxpk= 0, iat= 317, 335, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,  &end
#
#  22 LYS+ HB2    27 TYR  QD      8.40                
 &rst
  ixpk= 0, nxpk= 0, iat= 317,  -1, r1= 1.30, r2= 1.80, r3= 9.43, r4= 9.93,
 igr2= 403, 412,
 &end
#
#  22 LYS+ HB3    22 LYS+ HD2     4.15                
 &rst
  ixpk= 0, nxpk= 0, iat= 318, 323, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65,  &end
#
#  22 LYS+ HB3    22 LYS+ HD3     4.15                
 &rst
  ixpk= 0, nxpk= 0, iat= 318, 324, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65,  &end
#
#  22 LYS+ HB3    22 LYS+ HE2     6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 318, 326, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  22 LYS+ HB3    22 LYS+ HE3     6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 318, 327, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  22 LYS+ HB3    23 THR  HN      4.80                
 &rst
  ixpk= 0, nxpk= 0, iat= 318, 335, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,  &end
#
#  22 LYS+ HB3    27 TYR  QD      8.40                
 &rst
  ixpk= 0, nxpk= 0, iat= 318,  -1, r1= 1.30, r2= 1.80, r3= 9.43, r4= 9.93,
 igr2= 403, 412,
 &end
#
#  22 LYS+ QB     22 LYS+ QD      3.16                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48,
 igr1= 317, 318,
 igr2= 323, 324,
 &end
#
#  22 LYS+ QB     22 LYS+ QE      6.24                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1= 317, 318,
 igr2= 326, 327,
 &end
#
#  22 LYS+ QB     27 TYR  QD      8.25                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.39, r4=10.89,
 igr1= 317, 318,
 igr2= 403, 412,
 &end
#
#  22 LYS+ QB     27 TYR  QE      7.48                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.42, r4= 9.92,
 igr1= 317, 318,
 igr2= 405, 410,
 &end
#
#  22 LYS+ HG2    23 THR  HN      6.30                
 &rst
  ixpk= 0, nxpk= 0, iat= 320, 335, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,  &end
#
#  22 LYS+ HG3    23 THR  HN      6.30                
 &rst
  ixpk= 0, nxpk= 0, iat= 321, 335, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,  &end
#
#  22 LYS+ QG     23 THR  HN      6.14                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 335, r1= 1.30, r2= 1.80, r3= 6.89, r4= 7.39,
 igr1= 320, 321,
 &end
#
#  22 LYS+ QG     27 TYR  HN      6.18                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 395, r1= 1.30, r2= 1.80, r3= 6.94, r4= 7.44,
 igr1= 320, 321,
 &end
#
#  22 LYS+ QG     27 TYR  QD      6.68                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.42, r4= 8.92,
 igr1= 320, 321,
 igr2= 403, 412,
 &end
#
#  22 LYS+ HD2    23 THR  HN      5.40                
 &rst
  ixpk= 0, nxpk= 0, iat= 323, 335, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,  &end
#
#  22 LYS+ HD3    23 THR  HN      5.40                
 &rst
  ixpk= 0, nxpk= 0, iat= 324, 335, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,  &end
#
#  22 LYS+ QD     23 THR  HN      5.18                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 335, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31,
 igr1= 323, 324,
 &end
#
#  22 LYS+ HE2    23 THR  HN      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 326, 335, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  22 LYS+ HE3    23 THR  HN      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 327, 335, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  23 THR  HN     24 ASP- HN      5.80                
 &rst
  ixpk= 0, nxpk= 0, iat= 335, 349, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,  &end
#
#  23 THR  HN     25 LYS+ HN      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 335, 361, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  23 THR  HN     26 ASP- HN      5.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 335, 383, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,  &end
#
#  23 THR  HN     26 ASP- HA      5.90                
 &rst
  ixpk= 0, nxpk= 0, iat= 335, 385, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,  &end
#
#  23 THR  HN     26 ASP- HB2     5.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 335, 387, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,  &end
#
#  23 THR  HN     26 ASP- HB3     5.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 335, 388, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,  &end
#
#  23 THR  HN     27 TYR  HN      6.50                
 &rst
  ixpk= 0, nxpk= 0, iat= 335, 395, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,  &end
#
#  23 THR  HN     27 TYR  QD      8.30                
 &rst
  ixpk= 0, nxpk= 0, iat= 335,  -1, r1= 1.30, r2= 1.80, r3= 9.32, r4= 9.82,
 igr2= 403, 412,
 &end
#
#  23 THR  HN     27 TYR  QE      8.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 335,  -1, r1= 1.30, r2= 1.80, r3= 9.65, r4=10.15,
 igr2= 405, 410,
 &end
#
#  23 THR  HA     25 LYS+ HN      5.80                
 &rst
  ixpk= 0, nxpk= 0, iat= 337, 361, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,  &end
#
#  23 THR  HA     26 ASP- HN      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 337, 383, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  23 THR  HB     24 ASP- HN      4.00                
 &rst
  ixpk= 0, nxpk= 0, iat= 339, 349, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  23 THR  HB     25 LYS+ HN      5.20                
 &rst
  ixpk= 0, nxpk= 0, iat= 339, 361, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,  &end
#
#  23 THR  HB     26 ASP- HN      6.20                
 &rst
  ixpk= 0, nxpk= 0, iat= 339, 383, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70,  &end
#
#  23 THR  QG2    24 ASP- HN      5.70                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 349, r1= 1.30, r2= 1.80, r3= 6.85, r4= 7.35,
 igr1= 341, 342, 343,
 &end
#
#  24 ASP- HN     25 LYS+ HN      4.30                
 &rst
  ixpk= 0, nxpk= 0, iat= 349, 361, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,  &end
#
#  24 ASP- HN     26 ASP- HN      6.50                
 &rst
  ixpk= 0, nxpk= 0, iat= 349, 383, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,  &end
#
#  24 ASP- HA     26 ASP- HN      5.80                
 &rst
  ixpk= 0, nxpk= 0, iat= 351, 383, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,  &end
#
#  24 ASP- HA     27 TYR  HN      5.20                
 &rst
  ixpk= 0, nxpk= 0, iat= 351, 395, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,  &end
#
#  24 ASP- HA     27 TYR  QE      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 351,  -1, r1= 1.30, r2= 1.80, r3= 8.53, r4= 9.03,
 igr2= 405, 410,
 &end
#
#  24 ASP- HA     28 LEU  HN      6.10                
 &rst
  ixpk= 0, nxpk= 0, iat= 351, 416, r1= 1.30, r2= 1.80, r3= 6.10, r4= 6.60,  &end
#
#  24 ASP- HB2    25 LYS+ HN      5.00                
 &rst
  ixpk= 0, nxpk= 0, iat= 353, 361, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  24 ASP- HB3    25 LYS+ HN      5.00                
 &rst
  ixpk= 0, nxpk= 0, iat= 354, 361, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  25 LYS+ HN     25 LYS+ HB2     4.10                
 &rst
  ixpk= 0, nxpk= 0, iat= 361, 365, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,  &end
#
#  25 LYS+ HN     25 LYS+ HB3     4.10                
 &rst
  ixpk= 0, nxpk= 0, iat= 361, 366, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,  &end
#
#  25 LYS+ HN     25 LYS+ QB      3.90                
 &rst
  ixpk= 0, nxpk= 0, iat= 361,  -1, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,
 igr2= 365, 366,
 &end
#
#  25 LYS+ HN     25 LYS+ HG2     4.30                
 &rst
  ixpk= 0, nxpk= 0, iat= 361, 368, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,  &end
#
#  25 LYS+ HN     25 LYS+ HG3     4.30                
 &rst
  ixpk= 0, nxpk= 0, iat= 361, 369, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,  &end
#
#  25 LYS+ HN     25 LYS+ QG      4.01                
 &rst
  ixpk= 0, nxpk= 0, iat= 361,  -1, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,
 igr2= 368, 369,
 &end
#
#  25 LYS+ HN     25 LYS+ HD2     5.40                
 &rst
  ixpk= 0, nxpk= 0, iat= 361, 371, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,  &end
#
#  25 LYS+ HN     25 LYS+ HD3     5.40                
 &rst
  ixpk= 0, nxpk= 0, iat= 361, 372, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,  &end
#
#  25 LYS+ HN     25 LYS+ QD      5.23                
 &rst
  ixpk= 0, nxpk= 0, iat= 361,  -1, r1= 1.30, r2= 1.80, r3= 5.87, r4= 6.37,
 igr2= 371, 372,
 &end
#
#  25 LYS+ HN     25 LYS+ QE      7.50                
 &rst
  ixpk= 0, nxpk= 0, iat= 361,  -1, r1= 1.30, r2= 1.80, r3= 8.42, r4= 8.92,
 igr2= 374, 375,
 &end
#
#  25 LYS+ HN     26 ASP- HN      4.10                
 &rst
  ixpk= 0, nxpk= 0, iat= 361, 383, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,  &end
#
#  25 LYS+ HN     26 ASP- QB      6.28                
 &rst
  ixpk= 0, nxpk= 0, iat= 361,  -1, r1= 1.30, r2= 1.80, r3= 7.05, r4= 7.55,
 igr2= 387, 388,
 &end
#
#  25 LYS+ HN     27 TYR  HN      5.00                
 &rst
  ixpk= 0, nxpk= 0, iat= 361, 395, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  25 LYS+ HN     28 LEU  HN      6.20                
 &rst
  ixpk= 0, nxpk= 0, iat= 361, 416, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70,  &end
#
#  25 LYS+ HA     25 LYS+ HD2     5.40                
 &rst
  ixpk= 0, nxpk= 0, iat= 363, 371, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,  &end
#
#  25 LYS+ HA     25 LYS+ HD3     5.40                
 &rst
  ixpk= 0, nxpk= 0, iat= 363, 372, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,  &end
#
#  25 LYS+ HA     25 LYS+ QD      5.18                
 &rst
  ixpk= 0, nxpk= 0, iat= 363,  -1, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31,
 igr2= 371, 372,
 &end
#
#  25 LYS+ HA     25 LYS+ QE      6.90                
 &rst
  ixpk= 0, nxpk= 0, iat= 363,  -1, r1= 1.30, r2= 1.80, r3= 7.74, r4= 8.24,
 igr2= 374, 375,
 &end
#
#  25 LYS+ HA     27 TYR  HN      5.80                
 &rst
  ixpk= 0, nxpk= 0, iat= 363, 395, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,  &end
#
#  25 LYS+ HA     28 LEU  HN      4.90                
 &rst
  ixpk= 0, nxpk= 0, iat= 363, 416, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,  &end
#
#  25 LYS+ HB2    25 LYS+ QE      4.90                
 &rst
  ixpk= 0, nxpk= 0, iat= 365,  -1, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
 igr2= 374, 375,
 &end
#
#  25 LYS+ HB2    26 ASP- HN      4.40                
 &rst
  ixpk= 0, nxpk= 0, iat= 365, 383, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,  &end
#
#  25 LYS+ HB3    25 LYS+ QE      4.90                
 &rst
  ixpk= 0, nxpk= 0, iat= 366,  -1, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
 igr2= 374, 375,
 &end
#
#  25 LYS+ HB3    26 ASP- HN      4.40                
 &rst
  ixpk= 0, nxpk= 0, iat= 366, 383, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,  &end
#
#  25 LYS+ QB     25 LYS+ QE      4.43                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08,
 igr1= 365, 366,
 igr2= 374, 375,
 &end
#
#  25 LYS+ HG2    26 ASP- HN      5.90                
 &rst
  ixpk= 0, nxpk= 0, iat= 368, 383, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,  &end
#
#  25 LYS+ HG3    26 ASP- HN      5.90                
 &rst
  ixpk= 0, nxpk= 0, iat= 369, 383, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,  &end
#
#  25 LYS+ QG     26 ASP- HN      5.31                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 383, r1= 1.30, r2= 1.80, r3= 5.96, r4= 6.46,
 igr1= 368, 369,
 &end
#
#  25 LYS+ HD2    26 ASP- HN      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 371, 383, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  25 LYS+ HD3    26 ASP- HN      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 372, 383, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  25 LYS+ QD     26 ASP- HN      6.34                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 383, r1= 1.30, r2= 1.80, r3= 7.12, r4= 7.62,
 igr1= 371, 372,
 &end
#
#  25 LYS+ QE     26 ASP- HN      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 383, r1= 1.30, r2= 1.80, r3= 8.53, r4= 9.03,
 igr1= 374, 375,
 &end
#
#  26 ASP- HN     26 ASP- HB2     4.00                
 &rst
  ixpk= 0, nxpk= 0, iat= 383, 387, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  26 ASP- HN     26 ASP- HB3     4.00                
 &rst
  ixpk= 0, nxpk= 0, iat= 383, 388, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  26 ASP- HN     27 TYR  HN      4.00                
 &rst
  ixpk= 0, nxpk= 0, iat= 383, 395, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  26 ASP- HN     27 TYR  QD      8.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 383,  -1, r1= 1.30, r2= 1.80, r3= 9.65, r4=10.15,
 igr2= 403, 412,
 &end
#
#  26 ASP- HN     28 LEU  HN      5.40                
 &rst
  ixpk= 0, nxpk= 0, iat= 383, 416, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,  &end
#
#  26 ASP- HB2    27 TYR  HN      4.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 387, 395, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,  &end
#
#  26 ASP- HB2    27 TYR  QE      8.10                
 &rst
  ixpk= 0, nxpk= 0, iat= 387,  -1, r1= 1.30, r2= 1.80, r3= 9.09, r4= 9.59,
 igr2= 405, 410,
 &end
#
#  26 ASP- HB2    28 LEU  HN      5.90                
 &rst
  ixpk= 0, nxpk= 0, iat= 387, 416, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,  &end
#
#  26 ASP- HB3    27 TYR  HN      4.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 388, 395, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,  &end
#
#  26 ASP- HB3    27 TYR  QE      8.10                
 &rst
  ixpk= 0, nxpk= 0, iat= 388,  -1, r1= 1.30, r2= 1.80, r3= 9.09, r4= 9.59,
 igr2= 405, 410,
 &end
#
#  26 ASP- HB3    28 LEU  HN      5.90                
 &rst
  ixpk= 0, nxpk= 0, iat= 388, 416, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,  &end
#
#  26 ASP- QB     27 TYR  HN      4.37                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 395, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,
 igr1= 387, 388,
 &end
#
#  26 ASP- QB     27 TYR  QE      7.95                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.02, r4=10.52,
 igr1= 387, 388,
 igr2= 405, 410,
 &end
#
#  26 ASP- QB     28 LEU  HN      5.17                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 416, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
 igr1= 387, 388,
 &end
#
#  27 TYR  HN     27 TYR  QE      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 395,  -1, r1= 1.30, r2= 1.80, r3= 8.53, r4= 9.03,
 igr2= 405, 410,
 &end
#
#  27 TYR  HN     28 LEU  HN      3.90                
 &rst
  ixpk= 0, nxpk= 0, iat= 395, 416, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40,  &end
#
#  27 TYR  HN     28 LEU  HB2     6.30                
 &rst
  ixpk= 0, nxpk= 0, iat= 395, 420, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,  &end
#
#  27 TYR  HN     28 LEU  HB3     6.30                
 &rst
  ixpk= 0, nxpk= 0, iat= 395, 421, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,  &end
#
#  27 TYR  HN     30 GLN  QE2     7.47                
 &rst
  ixpk= 0, nxpk= 0, iat= 395,  -1, r1= 1.30, r2= 1.80, r3= 8.38, r4= 8.88,
 igr2= 454, 455,
 &end
#
#  27 TYR  HN     32 LEU  QD1     7.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 395,  -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr2= 492, 493, 494,
 &end
#
#  27 TYR  HN     32 LEU  QD2     7.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 395,  -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr2= 496, 497, 498,
 &end
#
#  27 TYR  HA     27 TYR  QE      6.00                
 &rst
  ixpk= 0, nxpk= 0, iat= 397,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 405, 410,
 &end
#
#  27 TYR  HA     30 GLN  HE21    5.20                
 &rst
  ixpk= 0, nxpk= 0, iat= 397, 454, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,  &end
#
#  27 TYR  HA     30 GLN  HE22    5.20                
 &rst
  ixpk= 0, nxpk= 0, iat= 397, 455, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,  &end
#
#  27 TYR  HA     32 LEU  QQD     9.17                
 &rst
  ixpk= 0, nxpk= 0, iat= 397,  -1, r1= 1.30, r2= 1.80, r3=12.36, r4=12.86,
 igr2= 496, 497, 498, 492, 493, 494,
 &end
#
#  27 TYR  HB2    28 LEU  HN      5.00                
 &rst
  ixpk= 0, nxpk= 0, iat= 399, 416, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  27 TYR  HB2    30 GLN  HE21    7.35                
 &rst
  ixpk= 0, nxpk= 0, iat= 399, 454, r1= 1.30, r2= 1.80, r3= 7.35, r4= 7.85,  &end
#
#  27 TYR  HB2    30 GLN  HE22    7.35                
 &rst
  ixpk= 0, nxpk= 0, iat= 399, 455, r1= 1.30, r2= 1.80, r3= 7.35, r4= 7.85,  &end
#
#  27 TYR  HB2    32 LEU  QD1     7.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 399,  -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr2= 492, 493, 494,
 &end
#
#  27 TYR  HB2    32 LEU  QD2     7.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 399,  -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr2= 496, 497, 498,
 &end
#
#  27 TYR  HB3    28 LEU  HN      5.00                
 &rst
  ixpk= 0, nxpk= 0, iat= 400, 416, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  27 TYR  HB3    30 GLN  HE21    7.35                
 &rst
  ixpk= 0, nxpk= 0, iat= 400, 454, r1= 1.30, r2= 1.80, r3= 7.35, r4= 7.85,  &end
#
#  27 TYR  HB3    30 GLN  HE22    7.35                
 &rst
  ixpk= 0, nxpk= 0, iat= 400, 455, r1= 1.30, r2= 1.80, r3= 7.35, r4= 7.85,  &end
#
#  27 TYR  HB3    32 LEU  QD1     7.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 400,  -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr2= 492, 493, 494,
 &end
#
#  27 TYR  HB3    32 LEU  QD2     7.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 400,  -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr2= 496, 497, 498,
 &end
#
#  27 TYR  QB     30 GLN  QE2     6.37                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.03, r4= 8.53,
 igr1= 399, 400,
 igr2= 454, 455,
 &end
#
#  27 TYR  QD     28 LEU  HN      8.10                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 416, r1= 1.30, r2= 1.80, r3= 9.09, r4= 9.59,
 igr1= 403, 412,
 &end
#
#  27 TYR  QD     32 LEU  QQD    11.17                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=16.90, r4=17.40,
 igr1= 403, 412,
 igr2= 496, 497, 498, 492, 493, 494,
 &end
#
#  27 TYR  QD     69 THR  QG2     9.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=12.94, r4=13.44,
 igr1= 403, 412,
 igr2=1073,1074,1075,
 &end
#
#  27 TYR  QD     71 LEU  QD1     9.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=12.94, r4=13.44,
 igr1= 403, 412,
 igr2=1104,1105,1106,
 &end
#
#  27 TYR  QD     71 LEU  QD2     9.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=12.94, r4=13.44,
 igr1= 403, 412,
 igr2=1108,1109,1110,
 &end
#
#  27 TYR  QD     97 VAL  QQG    11.16                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=16.89, r4=17.39,
 igr1= 403, 412,
 igr2=1530,1531,1532,1534,1535,1536,
 &end
#
#  27 TYR  QE     30 GLN  QG      9.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=12.10, r4=12.60,
 igr1= 405, 410,
 igr2= 449, 450,
 &end
#
#  27 TYR  QE     30 GLN  HE21    7.20                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 454, r1= 1.30, r2= 1.80, r3= 8.08, r4= 8.58,
 igr1= 405, 410,
 &end
#
#  27 TYR  QE     30 GLN  HE22    7.20                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 455, r1= 1.30, r2= 1.80, r3= 8.08, r4= 8.58,
 igr1= 405, 410,
 &end
#
#  27 TYR  QE     30 GLN  QE2     6.95                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.76, r4= 9.26,
 igr1= 405, 410,
 igr2= 454, 455,
 &end
#
#  27 TYR  QE     32 LEU  QD1     9.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=12.94, r4=13.44,
 igr1= 405, 410,
 igr2= 492, 493, 494,
 &end
#
#  27 TYR  QE     32 LEU  QD2     9.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=12.94, r4=13.44,
 igr1= 405, 410,
 igr2= 496, 497, 498,
 &end
#
#  27 TYR  QE     69 THR  QG2     9.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=12.94, r4=13.44,
 igr1= 405, 410,
 igr2=1073,1074,1075,
 &end
#
#  27 TYR  QE     71 LEU  QD1     9.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=12.94, r4=13.44,
 igr1= 405, 410,
 igr2=1104,1105,1106,
 &end
#
#  27 TYR  QE     71 LEU  QD2     9.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=12.94, r4=13.44,
 igr1= 405, 410,
 igr2=1108,1109,1110,
 &end
#
#  27 TYR  QE     97 VAL  QQG    11.16                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=16.89, r4=17.39,
 igr1= 405, 410,
 igr2=1530,1531,1532,1534,1535,1536,
 &end
#
#  27 TYR  QE     99 LEU  QQD    11.17                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=16.90, r4=17.40,
 igr1= 405, 410,
 igr2=1560,1561,1562,1556,1557,1558,
 &end
#
#  28 LEU  HN     28 LEU  QB      3.62                
 &rst
  ixpk= 0, nxpk= 0, iat= 416,  -1, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56,
 igr2= 420, 421,
 &end
#
#  28 LEU  HN     28 LEU  HG      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 416, 423, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  28 LEU  HN     28 LEU  QD1     5.80                
 &rst
  ixpk= 0, nxpk= 0, iat= 416,  -1, r1= 1.30, r2= 1.80, r3= 6.97, r4= 7.47,
 igr2= 425, 426, 427,
 &end
#
#  28 LEU  HN     28 LEU  QD2     5.80                
 &rst
  ixpk= 0, nxpk= 0, iat= 416,  -1, r1= 1.30, r2= 1.80, r3= 6.97, r4= 7.47,
 igr2= 429, 430, 431,
 &end
#
#  28 LEU  HN     29 GLY  HN      4.80                
 &rst
  ixpk= 0, nxpk= 0, iat= 416, 435, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,  &end
#
#  28 LEU  HN     30 GLN  HN      6.10                
 &rst
  ixpk= 0, nxpk= 0, iat= 416, 442, r1= 1.30, r2= 1.80, r3= 6.10, r4= 6.60,  &end
#
#  28 LEU  HA     28 LEU  QD1     6.10                
 &rst
  ixpk= 0, nxpk= 0, iat= 418,  -1, r1= 1.30, r2= 1.80, r3= 7.33, r4= 7.83,
 igr2= 425, 426, 427,
 &end
#
#  28 LEU  HA     28 LEU  QD2     6.10                
 &rst
  ixpk= 0, nxpk= 0, iat= 418,  -1, r1= 1.30, r2= 1.80, r3= 7.33, r4= 7.83,
 igr2= 429, 430, 431,
 &end
#
#  28 LEU  HA     30 GLN  HN      5.00                
 &rst
  ixpk= 0, nxpk= 0, iat= 418, 442, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  28 LEU  HA    143 GLY  HN      6.30                
 &rst
  ixpk= 0, nxpk= 0, iat= 418,2243, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,  &end
#
#  28 LEU  HB2    29 GLY  HN      4.80                
 &rst
  ixpk= 0, nxpk= 0, iat= 420, 435, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,  &end
#
#  28 LEU  HB2    30 GLN  HN      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 420, 442, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  28 LEU  HB3    29 GLY  HN      4.80                
 &rst
  ixpk= 0, nxpk= 0, iat= 421, 435, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,  &end
#
#  28 LEU  HB3    30 GLN  HN      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 421, 442, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  28 LEU  QB     29 GLY  HN      4.57                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 435, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63,
 igr1= 420, 421,
 &end
#
#  28 LEU  HG     29 GLY  HN      4.80                
 &rst
  ixpk= 0, nxpk= 0, iat= 423, 435, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,  &end
#
#  28 LEU  QD1    29 GLY  HN      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 435, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr1= 425, 426, 427,
 &end
#
#  28 LEU  QD1   142 ASP- HA      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2233, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr1= 425, 426, 427,
 &end
#
#  28 LEU  QD1   143 GLY  HA2     7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2245, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr1= 425, 426, 427,
 &end
#
#  28 LEU  QD1   143 GLY  HA3     7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2246, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr1= 425, 426, 427,
 &end
#
#  28 LEU  QD2    29 GLY  HN      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 435, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr1= 429, 430, 431,
 &end
#
#  28 LEU  QD2   142 ASP- HA      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2233, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr1= 429, 430, 431,
 &end
#
#  28 LEU  QD2   143 GLY  HA2     7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2245, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr1= 429, 430, 431,
 &end
#
#  28 LEU  QD2   143 GLY  HA3     7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2246, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr1= 429, 430, 431,
 &end
#
#  28 LEU  QQD    29 GLY  HN      6.94                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 435, r1= 1.30, r2= 1.80, r3= 9.36, r4= 9.86,
 igr1= 429, 430, 431, 425, 426, 427,
 &end
#
#  28 LEU  QQD    30 GLN  HN      7.77                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 442, r1= 1.30, r2= 1.80, r3=10.47, r4=10.97,
 igr1= 429, 430, 431, 425, 426, 427,
 &end
#
#  28 LEU  QQD   142 ASP- HN      7.27                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2231, r1= 1.30, r2= 1.80, r3= 9.80, r4=10.30,
 igr1= 429, 430, 431, 425, 426, 427,
 &end
#
#  28 LEU  QQD   143 GLY  HN      8.17                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2243, r1= 1.30, r2= 1.80, r3=11.01, r4=11.51,
 igr1= 429, 430, 431, 425, 426, 427,
 &end
#
#  29 GLY  HN     30 GLN  HN      4.20                
 &rst
  ixpk= 0, nxpk= 0, iat= 435, 442, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,  &end
#
#  29 GLY  HN     30 GLN  QB      7.30                
 &rst
  ixpk= 0, nxpk= 0, iat= 435,  -1, r1= 1.30, r2= 1.80, r3= 8.19, r4= 8.69,
 igr2= 446, 447,
 &end
#
#  29 GLY  HN    141 PRO  HA      6.30                
 &rst
  ixpk= 0, nxpk= 0, iat= 435,2227, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,  &end
#
#  29 GLY  HN    141 PRO  HB2     6.00                
 &rst
  ixpk= 0, nxpk= 0, iat= 435,2224, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#  29 GLY  HN    141 PRO  HB3     6.00                
 &rst
  ixpk= 0, nxpk= 0, iat= 435,2225, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#  29 GLY  HN    141 PRO  QB      5.59                
 &rst
  ixpk= 0, nxpk= 0, iat= 435,  -1, r1= 1.30, r2= 1.80, r3= 6.27, r4= 6.77,
 igr2=2224,2225,
 &end
#
#  29 GLY  HN    141 PRO  QG      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 435,  -1, r1= 1.30, r2= 1.80, r3= 8.53, r4= 9.03,
 igr2=2221,2222,
 &end
#
#  29 GLY  HN    143 GLY  QA      7.48                
 &rst
  ixpk= 0, nxpk= 0, iat= 435,  -1, r1= 1.30, r2= 1.80, r3= 8.40, r4= 8.90,
 igr2=2245,2246,
 &end
#
#  29 GLY  HA2   141 PRO  HB2     8.35                
 &rst
  ixpk= 0, nxpk= 0, iat= 437,2224, r1= 1.30, r2= 1.80, r3= 8.35, r4= 8.85,  &end
#
#  29 GLY  HA2   141 PRO  HB3     8.35                
 &rst
  ixpk= 0, nxpk= 0, iat= 437,2225, r1= 1.30, r2= 1.80, r3= 8.35, r4= 8.85,  &end
#
#  29 GLY  HA3   141 PRO  HB2     8.35                
 &rst
  ixpk= 0, nxpk= 0, iat= 438,2224, r1= 1.30, r2= 1.80, r3= 8.35, r4= 8.85,  &end
#
#  29 GLY  HA3   141 PRO  HB3     8.35                
 &rst
  ixpk= 0, nxpk= 0, iat= 438,2225, r1= 1.30, r2= 1.80, r3= 8.35, r4= 8.85,  &end
#
#  29 GLY  QA    141 PRO  QB      7.42                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.35, r4= 9.85,
 igr1= 437, 438,
 igr2=2224,2225,
 &end
#
#  30 GLN  HN     30 GLN  QG      5.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 442,  -1, r1= 1.30, r2= 1.80, r3= 6.29, r4= 6.79,
 igr2= 449, 450,
 &end
#
#  30 GLN  HN     30 GLN  HE21    5.40                
 &rst
  ixpk= 0, nxpk= 0, iat= 442, 454, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,  &end
#
#  30 GLN  HN     30 GLN  HE22    5.40                
 &rst
  ixpk= 0, nxpk= 0, iat= 442, 455, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,  &end
#
#  30 GLN  HN     31 TRP  HN      4.50                
 &rst
  ixpk= 0, nxpk= 0, iat= 442, 459, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  30 GLN  HN     32 LEU  QD1     7.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 442,  -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr2= 492, 493, 494,
 &end
#
#  30 GLN  HN     32 LEU  QD2     7.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 442,  -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr2= 496, 497, 498,
 &end
#
#  30 GLN  HN     32 LEU  QQD     6.94                
 &rst
  ixpk= 0, nxpk= 0, iat= 442,  -1, r1= 1.30, r2= 1.80, r3= 9.36, r4= 9.86,
 igr2= 496, 497, 498, 492, 493, 494,
 &end
#
#  30 GLN  HN    141 PRO  HA      4.50                
 &rst
  ixpk= 0, nxpk= 0, iat= 442,2227, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  30 GLN  HN    141 PRO  HB2     5.80                
 &rst
  ixpk= 0, nxpk= 0, iat= 442,2224, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,  &end
#
#  30 GLN  HN    141 PRO  HB3     5.80                
 &rst
  ixpk= 0, nxpk= 0, iat= 442,2225, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,  &end
#
#  30 GLN  HN    141 PRO  QB      5.34                
 &rst
  ixpk= 0, nxpk= 0, iat= 442,  -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
 igr2=2224,2225,
 &end
#
#  30 GLN  HA     30 GLN  HE21    6.50                
 &rst
  ixpk= 0, nxpk= 0, iat= 444, 454, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,  &end
#
#  30 GLN  HA     30 GLN  HE22    6.50                
 &rst
  ixpk= 0, nxpk= 0, iat= 444, 455, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,  &end
#
#  30 GLN  HA     30 GLN  QE2     6.10                
 &rst
  ixpk= 0, nxpk= 0, iat= 444,  -1, r1= 1.30, r2= 1.80, r3= 6.85, r4= 7.35,
 igr2= 454, 455,
 &end
#
#  30 GLN  HA     31 TRP  HD1     6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 444, 467, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  30 GLN  QB     30 GLN  HE21    5.40                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 454, r1= 1.30, r2= 1.80, r3= 6.06, r4= 6.56,
 igr1= 446, 447,
 &end
#
#  30 GLN  QB     30 GLN  HE22    5.40                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 455, r1= 1.30, r2= 1.80, r3= 6.06, r4= 6.56,
 igr1= 446, 447,
 &end
#
#  30 GLN  QB     32 LEU  QQD    10.17                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=15.39, r4=15.89,
 igr1= 446, 447,
 igr2= 496, 497, 498, 492, 493, 494,
 &end
#
#  30 GLN  QB     69 THR  HN      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1067, r1= 1.30, r2= 1.80, r3= 8.53, r4= 9.03,
 igr1= 446, 447,
 &end
#
#  30 GLN  QG     31 TRP  HN      6.30                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 459, r1= 1.30, r2= 1.80, r3= 7.07, r4= 7.57,
 igr1= 449, 450,
 &end
#
#  30 GLN  QG     69 THR  HN      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1067, r1= 1.30, r2= 1.80, r3= 8.53, r4= 9.03,
 igr1= 449, 450,
 &end
#
#  30 GLN  QG     69 THR  HB      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1071, r1= 1.30, r2= 1.80, r3= 8.53, r4= 9.03,
 igr1= 449, 450,
 &end
#
#  30 GLN  HE21   32 LEU  QD1     7.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 454,  -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr2= 492, 493, 494,
 &end
#
#  30 GLN  HE21   32 LEU  QD2     7.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 454,  -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr2= 496, 497, 498,
 &end
#
#  30 GLN  HE21   69 THR  HB      5.20                
 &rst
  ixpk= 0, nxpk= 0, iat= 454,1071, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,  &end
#
#  30 GLN  HE21   69 THR  QG2     7.20                
 &rst
  ixpk= 0, nxpk= 0, iat= 454,  -1, r1= 1.30, r2= 1.80, r3= 8.65, r4= 9.15,
 igr2=1073,1074,1075,
 &end
#
#  30 GLN  HE22   32 LEU  QD1     7.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 455,  -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr2= 492, 493, 494,
 &end
#
#  30 GLN  HE22   32 LEU  QD2     7.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 455,  -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr2= 496, 497, 498,
 &end
#
#  30 GLN  HE22   69 THR  HB      5.20                
 &rst
  ixpk= 0, nxpk= 0, iat= 455,1071, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,  &end
#
#  30 GLN  HE22   69 THR  QG2     7.20                
 &rst
  ixpk= 0, nxpk= 0, iat= 455,  -1, r1= 1.30, r2= 1.80, r3= 8.65, r4= 9.15,
 igr2=1073,1074,1075,
 &end
#
#  30 GLN  QE2    32 LEU  QQD     7.09                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.73, r4=11.23,
 igr1= 454, 455,
 igr2= 496, 497, 498, 492, 493, 494,
 &end
#
#  31 TRP  HN     31 TRP  HD1     5.50                
 &rst
  ixpk= 0, nxpk= 0, iat= 459, 467, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  31 TRP  HN     31 TRP  HE3     5.80                
 &rst
  ixpk= 0, nxpk= 0, iat= 459, 478, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,  &end
#
#  31 TRP  HN     31 TRP  HE1     5.50                
 &rst
  ixpk= 0, nxpk= 0, iat= 459, 469, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  31 TRP  HN     32 LEU  HN      5.70                
 &rst
  ixpk= 0, nxpk= 0, iat= 459, 483, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,  &end
#
#  31 TRP  HN     32 LEU  QD1     7.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 459,  -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr2= 492, 493, 494,
 &end
#
#  31 TRP  HN     32 LEU  QD2     7.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 459,  -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr2= 496, 497, 498,
 &end
#
#  31 TRP  HN     32 LEU  QQD     7.04                
 &rst
  ixpk= 0, nxpk= 0, iat= 459,  -1, r1= 1.30, r2= 1.80, r3= 9.49, r4= 9.99,
 igr2= 496, 497, 498, 492, 493, 494,
 &end
#
#  31 TRP  HN     68 LEU  QB      6.28                
 &rst
  ixpk= 0, nxpk= 0, iat= 459,  -1, r1= 1.30, r2= 1.80, r3= 7.05, r4= 7.55,
 igr2=1052,1053,
 &end
#
#  31 TRP  HN     68 LEU  QD1     7.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 459,  -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr2=1057,1058,1059,
 &end
#
#  31 TRP  HN     68 LEU  QD2     7.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 459,  -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr2=1061,1062,1063,
 &end
#
#  31 TRP  HN     69 THR  HN      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 459,1067, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  31 TRP  HA     31 TRP  HD1     6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 461, 467, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  31 TRP  HA     31 TRP  HE1     5.80                
 &rst
  ixpk= 0, nxpk= 0, iat= 461, 469, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,  &end
#
#  31 TRP  HA     31 TRP  HZ3     6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 461, 476, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  31 TRP  HA    139 ILE  HN      5.70                
 &rst
  ixpk= 0, nxpk= 0, iat= 461,2191, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,  &end
#
#  31 TRP  HB2    32 LEU  HN      5.20                
 &rst
  ixpk= 0, nxpk= 0, iat= 463, 483, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,  &end
#
#  31 TRP  HB2    68 LEU  QD1    10.74                
 &rst
  ixpk= 0, nxpk= 0, iat= 463,  -1, r1= 1.30, r2= 1.80, r3=12.90, r4=13.40,
 igr2=1057,1058,1059,
 &end
#
#  31 TRP  HB2    68 LEU  QD2    10.74                
 &rst
  ixpk= 0, nxpk= 0, iat= 463,  -1, r1= 1.30, r2= 1.80, r3=12.90, r4=13.40,
 igr2=1061,1062,1063,
 &end
#
#  31 TRP  HB2    69 THR  HN      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 463,1067, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  31 TRP  HB2   138 LEU  QD1    10.74                
 &rst
  ixpk= 0, nxpk= 0, iat= 463,  -1, r1= 1.30, r2= 1.80, r3=12.90, r4=13.40,
 igr2=2181,2182,2183,
 &end
#
#  31 TRP  HB2   138 LEU  QD2    10.74                
 &rst
  ixpk= 0, nxpk= 0, iat= 463,  -1, r1= 1.30, r2= 1.80, r3=12.90, r4=13.40,
 igr2=2185,2186,2187,
 &end
#
#  31 TRP  HB3    32 LEU  HN      5.20                
 &rst
  ixpk= 0, nxpk= 0, iat= 464, 483, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,  &end
#
#  31 TRP  HB3    68 LEU  QD1    10.74                
 &rst
  ixpk= 0, nxpk= 0, iat= 464,  -1, r1= 1.30, r2= 1.80, r3=12.90, r4=13.40,
 igr2=1057,1058,1059,
 &end
#
#  31 TRP  HB3    68 LEU  QD2    10.74                
 &rst
  ixpk= 0, nxpk= 0, iat= 464,  -1, r1= 1.30, r2= 1.80, r3=12.90, r4=13.40,
 igr2=1061,1062,1063,
 &end
#
#  31 TRP  HB3    69 THR  HN      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 464,1067, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  31 TRP  HB3   138 LEU  QD1    10.74                
 &rst
  ixpk= 0, nxpk= 0, iat= 464,  -1, r1= 1.30, r2= 1.80, r3=12.90, r4=13.40,
 igr2=2181,2182,2183,
 &end
#
#  31 TRP  HB3   138 LEU  QD2    10.74                
 &rst
  ixpk= 0, nxpk= 0, iat= 464,  -1, r1= 1.30, r2= 1.80, r3=12.90, r4=13.40,
 igr2=2185,2186,2187,
 &end
#
#  31 TRP  QB     31 TRP  HE1     5.15                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 469, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28,
 igr1= 463, 464,
 &end
#
#  31 TRP  QB     31 TRP  HH2     6.94                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 474, r1= 1.30, r2= 1.80, r3= 7.79, r4= 8.29,
 igr1= 463, 464,
 &end
#
#  31 TRP  QB     32 LEU  HN      5.03                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 483, r1= 1.30, r2= 1.80, r3= 5.65, r4= 6.15,
 igr1= 463, 464,
 &end
#
#  31 TRP  QB     68 LEU  QB      8.35                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.52, r4=11.02,
 igr1= 463, 464,
 igr2=1052,1053,
 &end
#
#  31 TRP  QB     68 LEU  QQD     9.13                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=13.81, r4=14.31,
 igr1= 463, 464,
 igr2=1061,1062,1063,1057,1058,1059,
 &end
#
#  31 TRP  QB     69 THR  HN      5.75                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1067, r1= 1.30, r2= 1.80, r3= 6.45, r4= 6.95,
 igr1= 463, 464,
 &end
#
#  31 TRP  QB    138 LEU  QQD     9.13                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=13.81, r4=14.31,
 igr1= 463, 464,
 igr2=2185,2186,2187,2181,2182,2183,
 &end
#
#  31 TRP  QB    139 ILE  HN      7.48                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2191, r1= 1.30, r2= 1.80, r3= 8.40, r4= 8.90,
 igr1= 463, 464,
 &end
#
#  31 TRP  HD1    66 PRO  HB2     6.20                
 &rst
  ixpk= 0, nxpk= 0, iat= 467,1029, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70,  &end
#
#  31 TRP  HD1    66 PRO  HB3     6.20                
 &rst
  ixpk= 0, nxpk= 0, iat= 467,1030, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70,  &end
#
#  31 TRP  HD1    66 PRO  QB      5.79                
 &rst
  ixpk= 0, nxpk= 0, iat= 467,  -1, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,
 igr2=1029,1030,
 &end
#
#  31 TRP  HD1    66 PRO  QG      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 467,  -1, r1= 1.30, r2= 1.80, r3= 8.53, r4= 9.03,
 igr2=1026,1027,
 &end
#
#  31 TRP  HD1    67 ASP- HN      5.40                
 &rst
  ixpk= 0, nxpk= 0, iat= 467,1036, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,  &end
#
#  31 TRP  HD1    68 LEU  HN      6.00                
 &rst
  ixpk= 0, nxpk= 0, iat= 467,1048, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#  31 TRP  HD1    69 THR  HN      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 467,1067, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  31 TRP  HE3    32 LEU  HN      6.00                
 &rst
  ixpk= 0, nxpk= 0, iat= 478, 483, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#  31 TRP  HE3    68 LEU  QQD     9.17                
 &rst
  ixpk= 0, nxpk= 0, iat= 478,  -1, r1= 1.30, r2= 1.80, r3=12.36, r4=12.86,
 igr2=1061,1062,1063,1057,1058,1059,
 &end
#
#  31 TRP  HE3   138 LEU  QB      6.28                
 &rst
  ixpk= 0, nxpk= 0, iat= 478,  -1, r1= 1.30, r2= 1.80, r3= 7.05, r4= 7.55,
 igr2=2176,2177,
 &end
#
#  31 TRP  HE3   138 LEU  QQD     9.17                
 &rst
  ixpk= 0, nxpk= 0, iat= 478,  -1, r1= 1.30, r2= 1.80, r3=12.36, r4=12.86,
 igr2=2185,2186,2187,2181,2182,2183,
 &end
#
#  31 TRP  HE3   140 GLY  HN      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 478,2210, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  31 TRP  HE3   146 LEU  QQD     8.87                
 &rst
  ixpk= 0, nxpk= 0, iat= 478,  -1, r1= 1.30, r2= 1.80, r3=11.96, r4=12.46,
 igr2=2298,2299,2300,2294,2295,2296,
 &end
#
#  31 TRP  HE3   165 HIST QB      7.48                
 &rst
  ixpk= 0, nxpk= 0, iat= 478,  -1, r1= 1.30, r2= 1.80, r3= 8.40, r4= 8.90,
 igr2=2582,2583,
 &end
#
#  31 TRP  HE3   169 TYR  QB      7.48                
 &rst
  ixpk= 0, nxpk= 0, iat= 478,  -1, r1= 1.30, r2= 1.80, r3= 8.40, r4= 8.90,
 igr2=2654,2655,
 &end
#
#  31 TRP  HE1    66 PRO  HB2     6.00                
 &rst
  ixpk= 0, nxpk= 0, iat= 469,1029, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#  31 TRP  HE1    66 PRO  HB3     6.00                
 &rst
  ixpk= 0, nxpk= 0, iat= 469,1030, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#  31 TRP  HE1    66 PRO  QB      5.84                
 &rst
  ixpk= 0, nxpk= 0, iat= 469,  -1, r1= 1.30, r2= 1.80, r3= 6.56, r4= 7.06,
 igr2=1029,1030,
 &end
#
#  31 TRP  HE1    66 PRO  QG      7.50                
 &rst
  ixpk= 0, nxpk= 0, iat= 469,  -1, r1= 1.30, r2= 1.80, r3= 8.42, r4= 8.92,
 igr2=1026,1027,
 &end
#
#  31 TRP  HE1    66 PRO  HD2     6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 469,1023, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  31 TRP  HE1    66 PRO  HD3     6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 469,1024, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  31 TRP  HE1   138 LEU  QQD     9.17                
 &rst
  ixpk= 0, nxpk= 0, iat= 469,  -1, r1= 1.30, r2= 1.80, r3=12.36, r4=12.86,
 igr2=2185,2186,2187,2181,2182,2183,
 &end
#
#  31 TRP  HE1   140 GLY  QA      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 469,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2=2212,2213,
 &end
#
#  31 TRP  HE1   141 PRO  HB2     6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 469,2224, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  31 TRP  HE1   141 PRO  HB3     6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 469,2225, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  31 TRP  HE1   141 PRO  QB      6.44                
 &rst
  ixpk= 0, nxpk= 0, iat= 469,  -1, r1= 1.30, r2= 1.80, r3= 7.23, r4= 7.73,
 igr2=2224,2225,
 &end
#
#  31 TRP  HE1   141 PRO  QG      6.00                
 &rst
  ixpk= 0, nxpk= 0, iat= 469,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2=2221,2222,
 &end
#
#  31 TRP  HE1   141 PRO  HD2     5.80                
 &rst
  ixpk= 0, nxpk= 0, iat= 469,2218, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,  &end
#
#  31 TRP  HE1   141 PRO  HD3     5.80                
 &rst
  ixpk= 0, nxpk= 0, iat= 469,2219, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,  &end
#
#  31 TRP  HE1   141 PRO  QD      5.39                
 &rst
  ixpk= 0, nxpk= 0, iat= 469,  -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
 igr2=2218,2219,
 &end
#
#  31 TRP  HE1   166 MET  HA      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 469,2597, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  31 TRP  HE1   169 TYR  HB2     6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 469,2654, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  31 TRP  HE1   169 TYR  HB3     6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 469,2655, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  31 TRP  HE1   169 TYR  QB      6.29                
 &rst
  ixpk= 0, nxpk= 0, iat= 469,  -1, r1= 1.30, r2= 1.80, r3= 7.06, r4= 7.56,
 igr2=2654,2655,
 &end
#
#  31 TRP  HE1   169 TYR  QD      8.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 469,  -1, r1= 1.30, r2= 1.80, r3= 9.65, r4=10.15,
 igr2=2658,2667,
 &end
#
#  31 TRP  HE1   169 TYR  QE      8.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 469,  -1, r1= 1.30, r2= 1.80, r3= 9.65, r4=10.15,
 igr2=2660,2665,
 &end
#
#  31 TRP  HZ3   138 LEU  HA      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 476,2174, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  31 TRP  HZ3   138 LEU  QB      6.28                
 &rst
  ixpk= 0, nxpk= 0, iat= 476,  -1, r1= 1.30, r2= 1.80, r3= 7.05, r4= 7.55,
 igr2=2176,2177,
 &end
#
#  31 TRP  HZ3   138 LEU  QD1     7.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 476,  -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr2=2181,2182,2183,
 &end
#
#  31 TRP  HZ3   138 LEU  QD2     7.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 476,  -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr2=2185,2186,2187,
 &end
#
#  31 TRP  HZ3   146 LEU  QB      6.28                
 &rst
  ixpk= 0, nxpk= 0, iat= 476,  -1, r1= 1.30, r2= 1.80, r3= 7.05, r4= 7.55,
 igr2=2289,2290,
 &end
#
#  31 TRP  HZ3   146 LEU  QD1     7.30                
 &rst
  ixpk= 0, nxpk= 0, iat= 476,  -1, r1= 1.30, r2= 1.80, r3= 8.77, r4= 9.27,
 igr2=2294,2295,2296,
 &end
#
#  31 TRP  HZ3   146 LEU  QD2     7.30                
 &rst
  ixpk= 0, nxpk= 0, iat= 476,  -1, r1= 1.30, r2= 1.80, r3= 8.77, r4= 9.27,
 igr2=2298,2299,2300,
 &end
#
#  31 TRP  HZ3   165 HIST HN      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 476,2578, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  31 TRP  HZ3   165 HIST HA      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 476,2580, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  31 TRP  HZ3   165 HIST HB2     6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 476,2582, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  31 TRP  HZ3   165 HIST HB3     6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 476,2583, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  31 TRP  HZ3   165 HIST QB      6.29                
 &rst
  ixpk= 0, nxpk= 0, iat= 476,  -1, r1= 1.30, r2= 1.80, r3= 7.06, r4= 7.56,
 igr2=2582,2583,
 &end
#
#  31 TRP  HZ3   166 MET  HN      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 476,2595, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  31 TRP  HZ2   138 LEU  QD1     7.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 472,  -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr2=2181,2182,2183,
 &end
#
#  31 TRP  HZ2   138 LEU  QD2     7.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 472,  -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr2=2185,2186,2187,
 &end
#
#  31 TRP  HZ2   169 TYR  HA      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 472,2652, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  31 TRP  HZ2   169 TYR  HB2     6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 472,2654, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  31 TRP  HZ2   169 TYR  HB3     6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 472,2655, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  31 TRP  HH2   138 LEU  QQD     8.07                
 &rst
  ixpk= 0, nxpk= 0, iat= 474,  -1, r1= 1.30, r2= 1.80, r3=10.88, r4=11.38,
 igr2=2185,2186,2187,2181,2182,2183,
 &end
#
#  31 TRP  HH2   146 LEU  QQD     9.17                
 &rst
  ixpk= 0, nxpk= 0, iat= 474,  -1, r1= 1.30, r2= 1.80, r3=12.36, r4=12.86,
 igr2=2298,2299,2300,2294,2295,2296,
 &end
#
#  31 TRP  HH2   165 HIST HN      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 474,2578, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  31 TRP  HH2   165 HIST HA      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 474,2580, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  31 TRP  HH2   165 HIST HB2     6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 474,2582, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  31 TRP  HH2   165 HIST HB3     6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 474,2583, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  31 TRP  HH2   166 MET  HN      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 474,2595, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  32 LEU  HN     32 LEU  QD1     5.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 483,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 492, 493, 494,
 &end
#
#  32 LEU  HN     32 LEU  QD2     5.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 483,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 496, 497, 498,
 &end
#
#  32 LEU  HN     33 LEU  HN      5.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 483, 502, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,  &end
#
#  32 LEU  HN     69 THR  HN      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 483,1067, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  32 LEU  HN    138 LEU  HA      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 483,2174, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  32 LEU  HN    138 LEU  QQD     9.17                
 &rst
  ixpk= 0, nxpk= 0, iat= 483,  -1, r1= 1.30, r2= 1.80, r3=12.36, r4=12.86,
 igr2=2185,2186,2187,2181,2182,2183,
 &end
#
#  32 LEU  HN    139 ILE  HN      6.30                
 &rst
  ixpk= 0, nxpk= 0, iat= 483,2191, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,  &end
#
#  32 LEU  HN    139 ILE  HB      5.20                
 &rst
  ixpk= 0, nxpk= 0, iat= 483,2195, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,  &end
#
#  32 LEU  HN    139 ILE  QG2     6.90                
 &rst
  ixpk= 0, nxpk= 0, iat= 483,  -1, r1= 1.30, r2= 1.80, r3= 8.29, r4= 8.79,
 igr2=2197,2198,2199,
 &end
#
#  32 LEU  HN    139 ILE  QG1     6.58                
 &rst
  ixpk= 0, nxpk= 0, iat= 483,  -1, r1= 1.30, r2= 1.80, r3= 7.39, r4= 7.89,
 igr2=2201,2202,
 &end
#
#  32 LEU  HA     32 LEU  QD1     6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 485,  -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
 igr2= 492, 493, 494,
 &end
#
#  32 LEU  HA     32 LEU  QD2     6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 485,  -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
 igr2= 496, 497, 498,
 &end
#
#  32 LEU  HA     69 THR  HN      5.80                
 &rst
  ixpk= 0, nxpk= 0, iat= 485,1067, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,  &end
#
#  32 LEU  HA     69 THR  HB      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 485,1071, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  32 LEU  HA     69 THR  QG2     7.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 485,  -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr2=1073,1074,1075,
 &end
#
#  32 LEU  HA     71 LEU  QQD     9.17                
 &rst
  ixpk= 0, nxpk= 0, iat= 485,  -1, r1= 1.30, r2= 1.80, r3=12.36, r4=12.86,
 igr2=1108,1109,1110,1104,1105,1106,
 &end
#
#  32 LEU  HB2    33 LEU  HN      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 487, 502, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  32 LEU  HB2    71 LEU  QD1     9.35                
 &rst
  ixpk= 0, nxpk= 0, iat= 487,  -1, r1= 1.30, r2= 1.80, r3=11.23, r4=11.73,
 igr2=1104,1105,1106,
 &end
#
#  32 LEU  HB2    71 LEU  QD2     9.35                
 &rst
  ixpk= 0, nxpk= 0, iat= 487,  -1, r1= 1.30, r2= 1.80, r3=11.23, r4=11.73,
 igr2=1108,1109,1110,
 &end
#
#  32 LEU  HB2   139 ILE  HN      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 487,2191, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  32 LEU  HB3    33 LEU  HN      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 488, 502, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  32 LEU  HB3    71 LEU  QD1     9.35                
 &rst
  ixpk= 0, nxpk= 0, iat= 488,  -1, r1= 1.30, r2= 1.80, r3=11.23, r4=11.73,
 igr2=1104,1105,1106,
 &end
#
#  32 LEU  HB3    71 LEU  QD2     9.35                
 &rst
  ixpk= 0, nxpk= 0, iat= 488,  -1, r1= 1.30, r2= 1.80, r3=11.23, r4=11.73,
 igr2=1108,1109,1110,
 &end
#
#  32 LEU  HB3   139 ILE  HN      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 488,2191, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  32 LEU  QB     33 LEU  HN      6.15                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 502, r1= 1.30, r2= 1.80, r3= 6.90, r4= 7.40,
 igr1= 487, 488,
 &end
#
#  32 LEU  QB     34 ILE  HA      7.48                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 523, r1= 1.30, r2= 1.80, r3= 8.40, r4= 8.90,
 igr1= 487, 488,
 &end
#
#  32 LEU  QB     71 LEU  QQD     8.33                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=12.60, r4=13.10,
 igr1= 487, 488,
 igr2=1108,1109,1110,1104,1105,1106,
 &end
#
#  32 LEU  QB    139 ILE  HN      6.10                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2191, r1= 1.30, r2= 1.80, r3= 6.85, r4= 7.35,
 igr1= 487, 488,
 &end
#
#  32 LEU  QB    139 ILE  HB      6.18                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2195, r1= 1.30, r2= 1.80, r3= 6.94, r4= 7.44,
 igr1= 487, 488,
 &end
#
#  32 LEU  QB    139 ILE  QG1     8.35                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.52, r4=11.02,
 igr1= 487, 488,
 igr2=2201,2202,
 &end
#
#  32 LEU  QB    140 GLY  HN      6.98                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2210, r1= 1.30, r2= 1.80, r3= 7.83, r4= 8.33,
 igr1= 487, 488,
 &end
#
#  32 LEU  QD1    33 LEU  HN      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 502, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr1= 492, 493, 494,
 &end
#
#  32 LEU  QD1    71 LEU  QD1    11.54                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=16.64, r4=17.14,
 igr1= 492, 493, 494,
 igr2=1104,1105,1106,
 &end
#
#  32 LEU  QD1    71 LEU  QD2    11.54                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=16.64, r4=17.14,
 igr1= 492, 493, 494,
 igr2=1108,1109,1110,
 &end
#
#  32 LEU  QD1   139 ILE  HN      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2191, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr1= 492, 493, 494,
 &end
#
#  32 LEU  QD1   139 ILE  HB      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2195, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr1= 492, 493, 494,
 &end
#
#  32 LEU  QD2    33 LEU  HN      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 502, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr1= 496, 497, 498,
 &end
#
#  32 LEU  QD2    71 LEU  QD1    11.54                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=16.64, r4=17.14,
 igr1= 496, 497, 498,
 igr2=1104,1105,1106,
 &end
#
#  32 LEU  QD2    71 LEU  QD2    11.54                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=16.64, r4=17.14,
 igr1= 496, 497, 498,
 igr2=1108,1109,1110,
 &end
#
#  32 LEU  QD2   139 ILE  HN      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2191, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr1= 496, 497, 498,
 &end
#
#  32 LEU  QD2   139 ILE  HB      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2195, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr1= 496, 497, 498,
 &end
#
#  32 LEU  QQD    33 LEU  HN      6.94                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 502, r1= 1.30, r2= 1.80, r3= 9.36, r4= 9.86,
 igr1= 496, 497, 498, 492, 493, 494,
 &end
#
#  32 LEU  QQD    69 THR  HN      9.17                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1067, r1= 1.30, r2= 1.80, r3=12.36, r4=12.86,
 igr1= 496, 497, 498, 492, 493, 494,
 &end
#
#  32 LEU  QQD    69 THR  HB      9.17                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1071, r1= 1.30, r2= 1.80, r3=12.36, r4=12.86,
 igr1= 496, 497, 498, 492, 493, 494,
 &end
#
#  32 LEU  QQD    71 LEU  QQD     9.79                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=17.79, r4=18.29,
 igr1= 496, 497, 498, 492, 493, 494,
 igr2=1108,1109,1110,1104,1105,1106,
 &end
#
#  33 LEU  HN     33 LEU  QB      3.28                
 &rst
  ixpk= 0, nxpk= 0, iat= 502,  -1, r1= 1.30, r2= 1.80, r3= 3.68, r4= 4.18,
 igr2= 506, 507,
 &end
#
#  33 LEU  HN     33 LEU  QD1     5.70                
 &rst
  ixpk= 0, nxpk= 0, iat= 502,  -1, r1= 1.30, r2= 1.80, r3= 6.85, r4= 7.35,
 igr2= 511, 512, 513,
 &end
#
#  33 LEU  HN     33 LEU  QD2     5.70                
 &rst
  ixpk= 0, nxpk= 0, iat= 502,  -1, r1= 1.30, r2= 1.80, r3= 6.85, r4= 7.35,
 igr2= 515, 516, 517,
 &end
#
#  33 LEU  HN     33 LEU  QQD     5.33                
 &rst
  ixpk= 0, nxpk= 0, iat= 502,  -1, r1= 1.30, r2= 1.80, r3= 7.18, r4= 7.68,
 igr2= 515, 516, 517, 511, 512, 513,
 &end
#
#  33 LEU  HN     34 ILE  HN      5.20                
 &rst
  ixpk= 0, nxpk= 0, iat= 502, 521, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,  &end
#
#  33 LEU  HN     34 ILE  HB      5.40                
 &rst
  ixpk= 0, nxpk= 0, iat= 502, 525, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,  &end
#
#  33 LEU  HN     34 ILE  QG2     7.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 502,  -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr2= 527, 528, 529,
 &end
#
#  33 LEU  HN     34 ILE  QD1     7.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 502,  -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr2= 534, 535, 536,
 &end
#
#  33 LEU  HN     69 THR  HN      5.10                
 &rst
  ixpk= 0, nxpk= 0, iat= 502,1067, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,  &end
#
#  33 LEU  HN     69 THR  HB      5.70                
 &rst
  ixpk= 0, nxpk= 0, iat= 502,1071, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,  &end
#
#  33 LEU  HN     70 PRO  HA      4.00                
 &rst
  ixpk= 0, nxpk= 0, iat= 502,1091, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  33 LEU  HN     70 PRO  QB      4.28                
 &rst
  ixpk= 0, nxpk= 0, iat= 502,  -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr2=1088,1089,
 &end
#
#  33 LEU  HN     71 LEU  HN      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 502,1095, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  33 LEU  HN    139 ILE  HN      6.00                
 &rst
  ixpk= 0, nxpk= 0, iat= 502,2191, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#  33 LEU  HA     33 LEU  QD1     7.20                
 &rst
  ixpk= 0, nxpk= 0, iat= 504,  -1, r1= 1.30, r2= 1.80, r3= 8.65, r4= 9.15,
 igr2= 511, 512, 513,
 &end
#
#  33 LEU  HA     33 LEU  QD2     7.20                
 &rst
  ixpk= 0, nxpk= 0, iat= 504,  -1, r1= 1.30, r2= 1.80, r3= 8.65, r4= 9.15,
 igr2= 515, 516, 517,
 &end
#
#  33 LEU  HA     34 ILE  QD1     7.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 504,  -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr2= 534, 535, 536,
 &end
#
#  33 LEU  HA    136 MET  HA      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 504,2136, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  33 LEU  HA    136 MET  QE      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 504,  -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr2=2145,2146,2147,
 &end
#
#  33 LEU  HA    139 ILE  HN      6.30                
 &rst
  ixpk= 0, nxpk= 0, iat= 504,2191, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,  &end
#
#  33 LEU  HA    162 ILE  QD1     7.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 504,  -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr2=2548,2549,2550,
 &end
#
#  33 LEU  HB2    34 ILE  HN      5.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 506, 521, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,  &end
#
#  33 LEU  HB2    68 LEU  HG      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 506,1055, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  33 LEU  HB2    70 PRO  HA      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 506,1091, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  33 LEU  HB3    34 ILE  HN      5.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 507, 521, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,  &end
#
#  33 LEU  HB3    68 LEU  HG      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 507,1055, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  33 LEU  HB3    70 PRO  HA      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 507,1091, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  33 LEU  QB     69 THR  HN      7.48                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1067, r1= 1.30, r2= 1.80, r3= 8.40, r4= 8.90,
 igr1= 506, 507,
 &end
#
#  33 LEU  QB     71 LEU  HN      6.68                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1095, r1= 1.30, r2= 1.80, r3= 7.50, r4= 8.00,
 igr1= 506, 507,
 &end
#
#  33 LEU  QD1    34 ILE  HN      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 521, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr1= 511, 512, 513,
 &end
#
#  33 LEU  QD1    52 MET  HA      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 804, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr1= 511, 512, 513,
 &end
#
#  33 LEU  QD1   136 MET  HG2     7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2141, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr1= 511, 512, 513,
 &end
#
#  33 LEU  QD1   136 MET  HG3     7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2142, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr1= 511, 512, 513,
 &end
#
#  33 LEU  QD1   136 MET  QE      8.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=12.40, r4=12.90,
 igr1= 511, 512, 513,
 igr2=2145,2146,2147,
 &end
#
#  33 LEU  QD1   158 ILE  QG2     8.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=12.40, r4=12.90,
 igr1= 511, 512, 513,
 igr2=2491,2492,2493,
 &end
#
#  33 LEU  QD2    34 ILE  HN      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 521, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr1= 515, 516, 517,
 &end
#
#  33 LEU  QD2    52 MET  HA      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 804, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr1= 515, 516, 517,
 &end
#
#  33 LEU  QD2   136 MET  HG2     7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2141, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr1= 515, 516, 517,
 &end
#
#  33 LEU  QD2   136 MET  HG3     7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2142, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr1= 515, 516, 517,
 &end
#
#  33 LEU  QD2   136 MET  QE      8.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=12.40, r4=12.90,
 igr1= 515, 516, 517,
 igr2=2145,2146,2147,
 &end
#
#  33 LEU  QD2   158 ILE  QG2     8.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=12.40, r4=12.90,
 igr1= 515, 516, 517,
 igr2=2491,2492,2493,
 &end
#
#  33 LEU  QQD    56 VAL  HA      9.17                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 873, r1= 1.30, r2= 1.80, r3=12.36, r4=12.86,
 igr1= 515, 516, 517, 511, 512, 513,
 &end
#
#  33 LEU  QQD    68 LEU  HG      9.17                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1055, r1= 1.30, r2= 1.80, r3=12.36, r4=12.86,
 igr1= 515, 516, 517, 511, 512, 513,
 &end
#
#  33 LEU  QQD    69 THR  HN      8.17                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1067, r1= 1.30, r2= 1.80, r3=11.01, r4=11.51,
 igr1= 515, 516, 517, 511, 512, 513,
 &end
#
#  33 LEU  QQD    70 PRO  HA      9.17                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1091, r1= 1.30, r2= 1.80, r3=12.36, r4=12.86,
 igr1= 515, 516, 517, 511, 512, 513,
 &end
#
#  33 LEU  QQD   136 MET  HA      9.17                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2136, r1= 1.30, r2= 1.80, r3=12.36, r4=12.86,
 igr1= 515, 516, 517, 511, 512, 513,
 &end
#
#  33 LEU  QQD   149 PHE  QD     11.17                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=16.90, r4=17.40,
 igr1= 515, 516, 517, 511, 512, 513,
 igr2=2345,2353,
 &end
#
#  34 ILE  HN     34 ILE  QG1     6.20                
 &rst
  ixpk= 0, nxpk= 0, iat= 521,  -1, r1= 1.30, r2= 1.80, r3= 6.96, r4= 7.46,
 igr2= 531, 532,
 &end
#
#  34 ILE  HN     34 ILE  QD1     6.00                
 &rst
  ixpk= 0, nxpk= 0, iat= 521,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr2= 534, 535, 536,
 &end
#
#  34 ILE  HN     35 TYR  HN      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 521, 540, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  34 ILE  HN     71 LEU  QQD     9.17                
 &rst
  ixpk= 0, nxpk= 0, iat= 521,  -1, r1= 1.30, r2= 1.80, r3=12.36, r4=12.86,
 igr2=1108,1109,1110,1104,1105,1106,
 &end
#
#  34 ILE  HN    136 MET  HA      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 521,2136, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  34 ILE  HN    136 MET  HB2     6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 521,2138, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  34 ILE  HN    136 MET  HB3     6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 521,2139, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  34 ILE  HN    136 MET  HG2     6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 521,2141, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  34 ILE  HN    136 MET  HG3     6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 521,2142, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  34 ILE  HN    136 MET  QG      6.29                
 &rst
  ixpk= 0, nxpk= 0, iat= 521,  -1, r1= 1.30, r2= 1.80, r3= 7.06, r4= 7.56,
 igr2=2141,2142,
 &end
#
#  34 ILE  HN    137 TYR  HN      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 521,2151, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  34 ILE  HN    137 TYR  HB2     6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 521,2155, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  34 ILE  HN    137 TYR  HB3     6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 521,2156, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  34 ILE  HN    137 TYR  QB      6.44                
 &rst
  ixpk= 0, nxpk= 0, iat= 521,  -1, r1= 1.30, r2= 1.80, r3= 7.23, r4= 7.73,
 igr2=2155,2156,
 &end
#
#  34 ILE  HN    137 TYR  QD      8.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 521,  -1, r1= 1.30, r2= 1.80, r3= 9.65, r4=10.15,
 igr2=2159,2168,
 &end
#
#  34 ILE  HA     70 PRO  HA      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 523,1091, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  34 ILE  HA     71 LEU  QQD     9.17                
 &rst
  ixpk= 0, nxpk= 0, iat= 523,  -1, r1= 1.30, r2= 1.80, r3=12.36, r4=12.86,
 igr2=1108,1109,1110,1104,1105,1106,
 &end
#
#  34 ILE  HA     72 PHE  HA      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 523,1116, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  34 ILE  HA     73 ILE  QD1     7.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 523,  -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr2=1147,1148,1149,
 &end
#
#  34 ILE  HA    136 MET  QE      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 523,  -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr2=2145,2146,2147,
 &end
#
#  34 ILE  HB     35 TYR  HN      4.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 525, 540, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,  &end
#
#  34 ILE  HB    113 TYR  HH      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 525,1773, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  34 ILE  HB    137 TYR  HN      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 525,2151, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  34 ILE  HB    137 TYR  QD      8.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 525,  -1, r1= 1.30, r2= 1.80, r3= 9.65, r4=10.15,
 igr2=2159,2168,
 &end
#
#  34 ILE  QG2    35 TYR  HN      6.90                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 540, r1= 1.30, r2= 1.80, r3= 8.29, r4= 8.79,
 igr1= 527, 528, 529,
 &end
#
#  34 ILE  QG2    36 PHE  HN      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 561, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr1= 527, 528, 529,
 &end
#
#  34 ILE  QG2    36 PHE  QB      8.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=11.59, r4=12.09,
 igr1= 527, 528, 529,
 igr2= 565, 566,
 &end
#
#  34 ILE  QG2    36 PHE  QD      9.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=12.94, r4=13.44,
 igr1= 527, 528, 529,
 igr2= 569, 577,
 &end
#
#  34 ILE  QG2    36 PHE  QE      9.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=12.94, r4=13.44,
 igr1= 527, 528, 529,
 igr2= 571, 575,
 &end
#
#  34 ILE  QG2    36 PHE  HZ      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 573, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr1= 527, 528, 529,
 &end
#
#  34 ILE  QG2    71 LEU  HN      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1095, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr1= 527, 528, 529,
 &end
#
#  34 ILE  QG2    72 PHE  HA      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1116, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr1= 527, 528, 529,
 &end
#
#  34 ILE  QG2    73 ILE  HN      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1134, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr1= 527, 528, 529,
 &end
#
#  34 ILE  QG2    73 ILE  QD1     8.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=12.40, r4=12.90,
 igr1= 527, 528, 529,
 igr2=1147,1148,1149,
 &end
#
#  34 ILE  QG2   113 TYR  QE      9.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=12.94, r4=13.44,
 igr1= 527, 528, 529,
 igr2=1770,1775,
 &end
#
#  34 ILE  QG2   113 TYR  HH      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1773, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr1= 527, 528, 529,
 &end
#
#  34 ILE  QG2   136 MET  HA      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2136, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr1= 527, 528, 529,
 &end
#
#  34 ILE  QG2   137 TYR  HN      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2151, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr1= 527, 528, 529,
 &end
#
#  34 ILE  QG2   137 TYR  QD      9.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=12.94, r4=13.44,
 igr1= 527, 528, 529,
 igr2=2159,2168,
 &end
#
#  34 ILE  QG2   139 ILE  HB      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2195, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr1= 527, 528, 529,
 &end
#
#  34 ILE  QG1    35 TYR  HN      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 540, r1= 1.30, r2= 1.80, r3= 8.53, r4= 9.03,
 igr1= 531, 532,
 &end
#
#  34 ILE  QG1    73 ILE  HN      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1134, r1= 1.30, r2= 1.80, r3= 8.53, r4= 9.03,
 igr1= 531, 532,
 &end
#
#  34 ILE  QG1    73 ILE  QG1     7.80                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.83, r4=10.33,
 igr1= 531, 532,
 igr2=1144,1145,
 &end
#
#  34 ILE  QG1    73 ILE  QD1     8.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=11.59, r4=12.09,
 igr1= 531, 532,
 igr2=1147,1148,1149,
 &end
#
#  34 ILE  QG1   137 TYR  HN      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2151, r1= 1.30, r2= 1.80, r3= 8.53, r4= 9.03,
 igr1= 531, 532,
 &end
#
#  34 ILE  QG1   138 LEU  HN      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2172, r1= 1.30, r2= 1.80, r3= 8.53, r4= 9.03,
 igr1= 531, 532,
 &end
#
#  34 ILE  QG1   139 ILE  QD1     8.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=11.59, r4=12.09,
 igr1= 531, 532,
 igr2=2204,2205,2206,
 &end
#
#  34 ILE  QD1    35 TYR  HN      7.50                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 540, r1= 1.30, r2= 1.80, r3= 9.01, r4= 9.51,
 igr1= 534, 535, 536,
 &end
#
#  34 ILE  QD1    36 PHE  QE      9.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=12.94, r4=13.44,
 igr1= 534, 535, 536,
 igr2= 571, 575,
 &end
#
#  34 ILE  QD1    36 PHE  HZ      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 573, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr1= 534, 535, 536,
 &end
#
#  34 ILE  QD1    73 ILE  QD1     5.10                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.36, r4= 7.86,
 igr1= 534, 535, 536,
 igr2=1147,1148,1149,
 &end
#
#  34 ILE  QD1   113 TYR  QD      9.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=12.94, r4=13.44,
 igr1= 534, 535, 536,
 igr2=1768,1777,
 &end
#
#  34 ILE  QD1   113 TYR  QE      9.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=12.94, r4=13.44,
 igr1= 534, 535, 536,
 igr2=1770,1775,
 &end
#
#  34 ILE  QD1   113 TYR  HH      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1773, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr1= 534, 535, 536,
 &end
#
#  34 ILE  QD1   137 TYR  HN      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2151, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr1= 534, 535, 536,
 &end
#
#  34 ILE  QD1   137 TYR  HA      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2153, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr1= 534, 535, 536,
 &end
#
#  34 ILE  QD1   137 TYR  QB      8.48                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=11.43, r4=11.93,
 igr1= 534, 535, 536,
 igr2=2155,2156,
 &end
#
#  34 ILE  QD1   137 TYR  QD      9.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=12.94, r4=13.44,
 igr1= 534, 535, 536,
 igr2=2159,2168,
 &end
#
#  34 ILE  QD1   139 ILE  HN      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2191, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr1= 534, 535, 536,
 &end
#
#  34 ILE  QD1   139 ILE  HB      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2195, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr1= 534, 535, 536,
 &end
#
#  34 ILE  QD1   139 ILE  QG1     8.48                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=11.43, r4=11.93,
 igr1= 534, 535, 536,
 igr2=2201,2202,
 &end
#
#  34 ILE  QD1   139 ILE  QD1     8.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=12.40, r4=12.90,
 igr1= 534, 535, 536,
 igr2=2204,2205,2206,
 &end
#
#  35 TYR  HN     36 PHE  HN      6.00                
 &rst
  ixpk= 0, nxpk= 0, iat= 540, 561, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#  35 TYR  HN     70 PRO  HA      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 540,1091, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  35 TYR  HN     71 LEU  HN      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 540,1095, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  35 TYR  HN     71 LEU  QB      6.78                
 &rst
  ixpk= 0, nxpk= 0, iat= 540,  -1, r1= 1.30, r2= 1.80, r3= 7.61, r4= 8.11,
 igr2=1099,1100,
 &end
#
#  35 TYR  HN     71 LEU  HG      5.70                
 &rst
  ixpk= 0, nxpk= 0, iat= 540,1102, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,  &end
#
#  35 TYR  HN     72 PHE  HA      5.70                
 &rst
  ixpk= 0, nxpk= 0, iat= 540,1116, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,  &end
#
#  35 TYR  HN     72 PHE  HB2     6.50                
 &rst
  ixpk= 0, nxpk= 0, iat= 540,1118, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,  &end
#
#  35 TYR  HN     72 PHE  HB3     6.50                
 &rst
  ixpk= 0, nxpk= 0, iat= 540,1119, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,  &end
#
#  35 TYR  HN     72 PHE  QB      6.24                
 &rst
  ixpk= 0, nxpk= 0, iat= 540,  -1, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,
 igr2=1118,1119,
 &end
#
#  35 TYR  HN     72 PHE  QD      8.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 540,  -1, r1= 1.30, r2= 1.80, r3= 9.65, r4=10.15,
 igr2=1122,1130,
 &end
#
#  35 TYR  HN     72 PHE  QE      8.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 540,  -1, r1= 1.30, r2= 1.80, r3= 9.65, r4=10.15,
 igr2=1124,1128,
 &end
#
#  35 TYR  HN     73 ILE  HN      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 540,1134, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  35 TYR  HN     73 ILE  QD1     7.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 540,  -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr2=1147,1148,1149,
 &end
#
#  35 TYR  HN    136 MET  QE      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 540,  -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr2=2145,2146,2147,
 &end
#
#  35 TYR  HA     36 PHE  QD      8.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 542,  -1, r1= 1.30, r2= 1.80, r3= 9.65, r4=10.15,
 igr2= 569, 577,
 &end
#
#  35 TYR  HA    136 MET  HA      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 542,2136, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  35 TYR  HA    136 MET  HG2     6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 542,2141, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  35 TYR  HA    136 MET  HG3     6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 542,2142, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  35 TYR  HA    137 TYR  HN      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 542,2151, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  35 TYR  HB2   136 MET  HA      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 544,2136, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  35 TYR  HB3   136 MET  HA      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 545,2136, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  36 PHE  HN     36 PHE  QE      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 561,  -1, r1= 1.30, r2= 1.80, r3= 8.53, r4= 9.03,
 igr2= 571, 575,
 &end
#
#  36 PHE  HN    136 MET  HA      6.50                
 &rst
  ixpk= 0, nxpk= 0, iat= 561,2136, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,  &end
#
#  36 PHE  HA     72 PHE  QD      8.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 563,  -1, r1= 1.30, r2= 1.80, r3= 9.65, r4=10.15,
 igr2=1122,1130,
 &end
#
#  36 PHE  HA     72 PHE  QE      8.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 563,  -1, r1= 1.30, r2= 1.80, r3= 9.65, r4=10.15,
 igr2=1124,1128,
 &end
#
#  36 PHE  HA     73 ILE  HN      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 563,1134, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  36 PHE  HA     73 ILE  HB      6.40                
 &rst
  ixpk= 0, nxpk= 0, iat= 563,1138, r1= 1.30, r2= 1.80, r3= 6.40, r4= 6.90,  &end
#
#  36 PHE  HA     73 ILE  QG2     7.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 563,  -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr2=1140,1141,1142,
 &end
#
#  36 PHE  HA     75 ILE  QD1     7.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 563,  -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr2=1177,1178,1179,
 &end
#
#  36 PHE  QB     75 ILE  QG2     8.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=11.59, r4=12.09,
 igr1= 565, 566,
 igr2=1170,1171,1172,
 &end
#
#  36 PHE  QB     75 ILE  QD1     8.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=11.59, r4=12.09,
 igr1= 565, 566,
 igr2=1177,1178,1179,
 &end
#
#  36 PHE  QB    115 VAL  QG1     8.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=11.59, r4=12.09,
 igr1= 565, 566,
 igr2=1811,1812,1813,
 &end
#
#  36 PHE  QB    115 VAL  QG2     8.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=11.59, r4=12.09,
 igr1= 565, 566,
 igr2=1815,1816,1817,
 &end
#
#  36 PHE  QD     73 ILE  HB      8.10                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1138, r1= 1.30, r2= 1.80, r3= 9.09, r4= 9.59,
 igr1= 569, 577,
 &end
#
#  36 PHE  QD     73 ILE  QG2     9.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=12.94, r4=13.44,
 igr1= 569, 577,
 igr2=1140,1141,1142,
 &end
#
#  36 PHE  QD     73 ILE  QD1     9.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=12.94, r4=13.44,
 igr1= 569, 577,
 igr2=1147,1148,1149,
 &end
#
#  36 PHE  QD    110 ALA  HN      8.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1716, r1= 1.30, r2= 1.80, r3= 9.65, r4=10.15,
 igr1= 569, 577,
 &end
#
#  36 PHE  QD    115 VAL  QG1     9.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=12.94, r4=13.44,
 igr1= 569, 577,
 igr2=1811,1812,1813,
 &end
#
#  36 PHE  QD    115 VAL  QG2     9.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=12.94, r4=13.44,
 igr1= 569, 577,
 igr2=1815,1816,1817,
 &end
#
#  36 PHE  QE     73 ILE  HB      8.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1138, r1= 1.30, r2= 1.80, r3= 9.65, r4=10.15,
 igr1= 571, 575,
 &end
#
#  36 PHE  QE     73 ILE  QG2     9.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=12.94, r4=13.44,
 igr1= 571, 575,
 igr2=1140,1141,1142,
 &end
#
#  36 PHE  QE     73 ILE  QG1     9.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=12.10, r4=12.60,
 igr1= 571, 575,
 igr2=1144,1145,
 &end
#
#  36 PHE  QE     73 ILE  QD1     9.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=12.94, r4=13.44,
 igr1= 571, 575,
 igr2=1147,1148,1149,
 &end
#
#  36 PHE  QE    109 VAL  HA      8.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1702, r1= 1.30, r2= 1.80, r3= 9.65, r4=10.15,
 igr1= 571, 575,
 &end
#
#  36 PHE  QE    109 VAL  QG1     9.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=12.94, r4=13.44,
 igr1= 571, 575,
 igr2=1706,1707,1708,
 &end
#
#  36 PHE  QE    109 VAL  QG2     9.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=12.94, r4=13.44,
 igr1= 571, 575,
 igr2=1710,1711,1712,
 &end
#
#  36 PHE  QE    110 ALA  HN      8.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1716, r1= 1.30, r2= 1.80, r3= 9.65, r4=10.15,
 igr1= 571, 575,
 &end
#
#  36 PHE  QE    110 ALA  HA      8.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1718, r1= 1.30, r2= 1.80, r3= 9.65, r4=10.15,
 igr1= 571, 575,
 &end
#
#  36 PHE  QE    115 VAL  QQG    11.16                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=16.89, r4=17.39,
 igr1= 571, 575,
 igr2=1811,1812,1813,1815,1816,1817,
 &end
#
#  36 PHE  QE    137 TYR  QD      9.50                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=11.97, r4=12.47,
 igr1= 571, 575,
 igr2=2159,2168,
 &end
#
#  36 PHE  HZ     73 ILE  HB      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 573,1138, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  36 PHE  HZ     73 ILE  QG2     7.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 573,  -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr2=1140,1141,1142,
 &end
#
#  36 PHE  HZ     73 ILE  QD1     7.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 573,  -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr2=1147,1148,1149,
 &end
#
#  36 PHE  HZ     75 ILE  QG2     7.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 573,  -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr2=1170,1171,1172,
 &end
#
#  36 PHE  HZ    109 VAL  QG1     7.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 573,  -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr2=1706,1707,1708,
 &end
#
#  36 PHE  HZ    109 VAL  QG2     7.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 573,  -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr2=1710,1711,1712,
 &end
#
#  36 PHE  HZ    110 ALA  HN      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 573,1716, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  36 PHE  HZ    110 ALA  HA      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 573,1718, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  36 PHE  HZ    113 TYR  QE      8.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 573,  -1, r1= 1.30, r2= 1.80, r3= 9.65, r4=10.15,
 igr2=1770,1775,
 &end
#
#  36 PHE  HZ    115 VAL  QG1     7.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 573,  -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr2=1811,1812,1813,
 &end
#
#  36 PHE  HZ    115 VAL  QG2     7.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 573,  -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr2=1815,1816,1817,
 &end
#
#  37 GLY  HN     38 PHE  HN      5.80                
 &rst
  ixpk= 0, nxpk= 0, iat= 581, 588, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,  &end
#
#  37 GLY  HN     72 PHE  QD      8.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 581,  -1, r1= 1.30, r2= 1.80, r3= 9.65, r4=10.15,
 igr2=1122,1130,
 &end
#
#  37 GLY  HN     72 PHE  QE      8.20                
 &rst
  ixpk= 0, nxpk= 0, iat= 581,  -1, r1= 1.30, r2= 1.80, r3= 9.20, r4= 9.70,
 igr2=1124,1128,
 &end
#
#  37 GLY  HN     72 PHE  HZ      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 581,1126, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  37 GLY  HN     73 ILE  HN      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 581,1134, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  37 GLY  HN     73 ILE  HB      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 581,1138, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  37 GLY  HN     73 ILE  QG2     7.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 581,  -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr2=1140,1141,1142,
 &end
#
#  37 GLY  HN     73 ILE  QD1     7.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 581,  -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr2=1147,1148,1149,
 &end
#
#  37 GLY  HN     74 SER  HA      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 581,1155, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  37 GLY  HN     74 SER  QB      7.48                
 &rst
  ixpk= 0, nxpk= 0, iat= 581,  -1, r1= 1.30, r2= 1.80, r3= 8.40, r4= 8.90,
 igr2=1157,1158,
 &end
#
#  37 GLY  HN     75 ILE  HN      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 581,1164, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  37 GLY  HN     75 ILE  QG2     7.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 581,  -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr2=1170,1171,1172,
 &end
#
#  37 GLY  HN     75 ILE  HG12    6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 581,1174, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  37 GLY  HN     75 ILE  HG13    6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 581,1175, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  37 GLY  HN     75 ILE  QG1     6.15                
 &rst
  ixpk= 0, nxpk= 0, iat= 581,  -1, r1= 1.30, r2= 1.80, r3= 6.90, r4= 7.40,
 igr2=1174,1175,
 &end
#
#  37 GLY  HN     75 ILE  QD1     7.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 581,  -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr2=1177,1178,1179,
 &end
#
#  37 GLY  QA     72 PHE  QE      9.28                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=11.69, r4=12.19,
 igr1= 583, 584,
 igr2=1124,1128,
 &end
#
#  37 GLY  QA     75 ILE  QD1     8.48                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=11.43, r4=11.93,
 igr1= 583, 584,
 igr2=1177,1178,1179,
 &end
#
#  38 PHE  HN     39 THR  QG2     7.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 588,  -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr2= 614, 615, 616,
 &end
#
#  38 PHE  HN     72 PHE  QE      7.30                
 &rst
  ixpk= 0, nxpk= 0, iat= 588,  -1, r1= 1.30, r2= 1.80, r3= 8.19, r4= 8.69,
 igr2=1124,1128,
 &end
#
#  38 PHE  HN     72 PHE  HZ      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 588,1126, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  38 PHE  HN     75 ILE  QD1     7.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 588,  -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr2=1177,1178,1179,
 &end
#
#  38 PHE  HA     39 THR  QG2     7.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 590,  -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr2= 614, 615, 616,
 &end
#
#  38 PHE  HA     72 PHE  HZ      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 590,1126, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  38 PHE  HA     74 SER  HB2     6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 590,1157, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  38 PHE  HA     74 SER  HB3     6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 590,1158, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  38 PHE  HA     75 ILE  QD1     7.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 590,  -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr2=1177,1178,1179,
 &end
#
#  38 PHE  QB     75 ILE  QD1     8.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=11.59, r4=12.09,
 igr1= 592, 593,
 igr2=1177,1178,1179,
 &end
#
#  38 PHE  QB     76 ASP- HA      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1185, r1= 1.30, r2= 1.80, r3= 8.53, r4= 9.03,
 igr1= 592, 593,
 &end
#
#  38 PHE  QB     76 ASP- QB      8.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.84, r4=11.34,
 igr1= 592, 593,
 igr2=1187,1188,
 &end
#
#  38 PHE  QB    130 VAL  QQG    10.16                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=15.37, r4=15.87,
 igr1= 592, 593,
 igr2=2043,2044,2045,2047,2048,2049,
 &end
#
#  38 PHE  QD     39 THR  HN      8.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 608, r1= 1.30, r2= 1.80, r3= 9.65, r4=10.15,
 igr1= 596, 604,
 &end
#
#  38 PHE  QD     41 CYA  HN      7.00                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 640, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1= 596, 604,
 &end
#
#  38 PHE  QD     41 CYA  HA      8.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 642, r1= 1.30, r2= 1.80, r3= 9.65, r4=10.15,
 igr1= 596, 604,
 &end
#
#  38 PHE  QD     76 ASP- QB      9.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=12.10, r4=12.60,
 igr1= 596, 604,
 igr2=1187,1188,
 &end
#
#  38 PHE  QD    130 VAL  QQG    11.16                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=16.89, r4=17.39,
 igr1= 596, 604,
 igr2=2043,2044,2045,2047,2048,2049,
 &end
#
#  39 THR  HN     72 PHE  QE      8.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 608,  -1, r1= 1.30, r2= 1.80, r3= 9.65, r4=10.15,
 igr2=1124,1128,
 &end
#
#  39 THR  HN     72 PHE  HZ      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 608,1126, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  39 THR  HA     41 CYA  HN      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 610, 640, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  39 THR  HA     72 PHE  QE      8.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 610,  -1, r1= 1.30, r2= 1.80, r3= 9.65, r4=10.15,
 igr2=1124,1128,
 &end
#
#  39 THR  HA     72 PHE  HZ      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 610,1126, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  39 THR  HA     88 TYR  QD      8.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 610,  -1, r1= 1.30, r2= 1.80, r3= 9.65, r4=10.15,
 igr2=1372,1381,
 &end
#
#  39 THR  HA     88 TYR  QE      8.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 610,  -1, r1= 1.30, r2= 1.80, r3= 9.65, r4=10.15,
 igr2=1374,1379,
 &end
#
#  39 THR  HB     40 HIS+ HN      5.30                
 &rst
  ixpk= 0, nxpk= 0, iat= 612, 622, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,  &end
#
#  39 THR  HB     88 TYR  QD      8.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 612,  -1, r1= 1.30, r2= 1.80, r3= 9.65, r4=10.15,
 igr2=1372,1381,
 &end
#
#  39 THR  HB     88 TYR  QE      8.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 612,  -1, r1= 1.30, r2= 1.80, r3= 9.65, r4=10.15,
 igr2=1374,1379,
 &end
#
#  39 THR  QG2    40 HIS+ HN      7.10                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 622, r1= 1.30, r2= 1.80, r3= 8.53, r4= 9.03,
 igr1= 614, 615, 616,
 &end
#
#  39 THR  QG2    72 PHE  QE      9.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=12.94, r4=13.44,
 igr1= 614, 615, 616,
 igr2=1124,1128,
 &end
#
#  39 THR  QG2    72 PHE  HZ      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1126, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr1= 614, 615, 616,
 &end
#
#  39 THR  QG2    84 ALA  QB      8.30                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=11.97, r4=12.47,
 igr1= 614, 615, 616,
 igr2=1315,1316,1317,
 &end
#
#  39 THR  QG2    85 ILE  HA      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1323, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr1= 614, 615, 616,
 &end
#
#  39 THR  QG2    88 TYR  HN      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1364, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr1= 614, 615, 616,
 &end
#
#  39 THR  QG2    88 TYR  QD      9.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=12.94, r4=13.44,
 igr1= 614, 615, 616,
 igr2=1372,1381,
 &end
#
#  40 HIS+ HN     40 HIS+ HD2     4.20                
 &rst
  ixpk= 0, nxpk= 0, iat= 622, 636, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,  &end
#
#  40 HIS+ HN     40 HIS+ HE1     6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 622, 632, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  40 HIS+ HN     41 CYA  HN      5.70                
 &rst
  ixpk= 0, nxpk= 0, iat= 622, 640, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,  &end
#
#  40 HIS+ HA     40 HIS+ HD2     6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 624, 636, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  40 HIS+ HA     40 HIS+ HE1     6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 624, 632, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  40 HIS+ HB2    41 CYA  HN      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 626, 640, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  40 HIS+ HB3    41 CYA  HN      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 627, 640, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  40 HIS+ QB     41 CYA  HN      6.06                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 640, r1= 1.30, r2= 1.80, r3= 6.80, r4= 7.30,
 igr1= 626, 627,
 &end
#
#  40 HIS+ HD2    41 CYA  HN      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 636, 640, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  41 CYA  HN     42 PRO  QD      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 640,  -1, r1= 1.30, r2= 1.80, r3= 8.53, r4= 9.03,
 igr2= 651, 652,
 &end
#
#  41 CYA  HN     45 CYG  HN      6.50                
 &rst
  ixpk= 0, nxpk= 0, iat= 640, 692, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,  &end
#
#  41 CYA  HN     45 CYG  HB2     6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 640, 697, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  41 CYA  HN     45 CYG  HB3     6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 640, 696, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  41 CYA  HN    132 HIS  HD2     6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 640,2078, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  41 CYA  HN    132 HIS  HE1     6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 640,2075, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  41 CYA  QB     45 CYG  HN      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 692, r1= 1.30, r2= 1.80, r3= 8.53, r4= 9.03,
 igr1= 645, 644,
 &end
#
#  42 PRO  HA     44 VAL  HN      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 660, 676, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  42 PRO  QG     44 VAL  HN      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 676, r1= 1.30, r2= 1.80, r3= 8.53, r4= 9.03,
 igr1= 654, 655,
 &end
#
#  43 ASP- HN     44 VAL  HN      4.20                
 &rst
  ixpk= 0, nxpk= 0, iat= 664, 676, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,  &end
#
#  43 ASP- HN     44 VAL  HA      5.00                
 &rst
  ixpk= 0, nxpk= 0, iat= 664, 678, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  43 ASP- HN     44 VAL  HB      6.00                
 &rst
  ixpk= 0, nxpk= 0, iat= 664, 680, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#  43 ASP- HN     44 VAL  QG1     7.30                
 &rst
  ixpk= 0, nxpk= 0, iat= 664,  -1, r1= 1.30, r2= 1.80, r3= 8.77, r4= 9.27,
 igr2= 682, 683, 684,
 &end
#
#  43 ASP- HN     44 VAL  QG2     7.30                
 &rst
  ixpk= 0, nxpk= 0, iat= 664,  -1, r1= 1.30, r2= 1.80, r3= 8.77, r4= 9.27,
 igr2= 686, 687, 688,
 &end
#
#  43 ASP- HN     44 VAL  QQG     7.03                
 &rst
  ixpk= 0, nxpk= 0, iat= 664,  -1, r1= 1.30, r2= 1.80, r3= 9.48, r4= 9.98,
 igr2= 682, 683, 684, 686, 687, 688,
 &end
#
#  43 ASP- HN     45 CYG  HN      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 664, 692, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  44 VAL  HN     45 CYG  HN      5.70                
 &rst
  ixpk= 0, nxpk= 0, iat= 676, 692, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,  &end
#
#  44 VAL  HN    132 HIS  HD2     6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 676,2078, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  44 VAL  HN    132 HIS  HE1     6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 676,2075, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  44 VAL  HN    134 ILE  QG2     7.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 676,  -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr2=2102,2103,2104,
 &end
#
#  44 VAL  HN    134 ILE  QD1     7.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 676,  -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr2=2109,2110,2111,
 &end
#
#  44 VAL  HA     47 GLU- HN      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 678, 716, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  44 VAL  HA     47 GLU- QB      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 678,  -1, r1= 1.30, r2= 1.80, r3= 8.53, r4= 9.03,
 igr2= 720, 721,
 &end
#
#  44 VAL  HA     48 GLU- HN      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 678, 731, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  44 VAL  HB     45 CYG  HN      5.70                
 &rst
  ixpk= 0, nxpk= 0, iat= 680, 692, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,  &end
#
#  44 VAL  HB    134 ILE  QG2     7.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 680,  -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr2=2102,2103,2104,
 &end
#
#  44 VAL  HB    134 ILE  QD1     7.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 680,  -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr2=2109,2110,2111,
 &end
#
#  44 VAL  QG1    45 CYG  HN      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 692, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr1= 682, 683, 684,
 &end
#
#  44 VAL  QG1    48 GLU- HN      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 731, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr1= 682, 683, 684,
 &end
#
#  44 VAL  QG1   134 ILE  QG2     8.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=12.40, r4=12.90,
 igr1= 682, 683, 684,
 igr2=2102,2103,2104,
 &end
#
#  44 VAL  QG1   134 ILE  QD1     8.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=12.40, r4=12.90,
 igr1= 682, 683, 684,
 igr2=2109,2110,2111,
 &end
#
#  44 VAL  QG1   151 GLN  HE21   10.72                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2376, r1= 1.30, r2= 1.80, r3=12.87, r4=13.37,
 igr1= 682, 683, 684,
 &end
#
#  44 VAL  QG1   151 GLN  HE22   10.72                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2377, r1= 1.30, r2= 1.80, r3=12.87, r4=13.37,
 igr1= 682, 683, 684,
 &end
#
#  44 VAL  QG2    45 CYG  HN      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 692, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr1= 686, 687, 688,
 &end
#
#  44 VAL  QG2    48 GLU- HN      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 731, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr1= 686, 687, 688,
 &end
#
#  44 VAL  QG2   134 ILE  QG2     8.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=12.40, r4=12.90,
 igr1= 686, 687, 688,
 igr2=2102,2103,2104,
 &end
#
#  44 VAL  QG2   134 ILE  QD1     8.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=12.40, r4=12.90,
 igr1= 686, 687, 688,
 igr2=2109,2110,2111,
 &end
#
#  44 VAL  QG2   151 GLN  HE21   10.72                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2376, r1= 1.30, r2= 1.80, r3=12.87, r4=13.37,
 igr1= 686, 687, 688,
 &end
#
#  44 VAL  QG2   151 GLN  HE22   10.72                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2377, r1= 1.30, r2= 1.80, r3=12.87, r4=13.37,
 igr1= 686, 687, 688,
 &end
#
#  44 VAL  QQG    45 CYG  HN      7.29                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 692, r1= 1.30, r2= 1.80, r3= 9.83, r4=10.33,
 igr1= 682, 683, 684, 686, 687, 688,
 &end
#
#  44 VAL  QQG   132 HIS  HE1     9.16                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2075, r1= 1.30, r2= 1.80, r3=12.35, r4=12.85,
 igr1= 682, 683, 684, 686, 687, 688,
 &end
#
#  44 VAL  QQG   134 ILE  QG2     8.26                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=13.37, r4=13.87,
 igr1= 682, 683, 684, 686, 687, 688,
 igr2=2102,2103,2104,
 &end
#
#  44 VAL  QQG   134 ILE  QD1     8.26                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=13.37, r4=13.87,
 igr1= 682, 683, 684, 686, 687, 688,
 igr2=2109,2110,2111,
 &end
#
#  44 VAL  QQG   151 GLN  QE2     8.49                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=12.85, r4=13.35,
 igr1= 682, 683, 684, 686, 687, 688,
 igr2=2376,2377,
 &end
#
#  45 CYG  HN     48 GLU- HN      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 692, 731, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  45 CYG  HN    132 HIS  HE1     6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 692,2075, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  45 CYG  HN    134 ILE  QG2     7.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 692,  -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr2=2102,2103,2104,
 &end
#
#  45 CYG  HA     47 GLU- HN      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 694, 716, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  45 CYG  HA     48 GLU- HN      6.30                
 &rst
  ixpk= 0, nxpk= 0, iat= 694, 731, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,  &end
#
#  45 CYG  HB2    47 GLU- HN      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 697, 716, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  45 CYG  HB3    47 GLU- HN      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 696, 716, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  45 CYG  QB     47 GLU- HN      6.15                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 716, r1= 1.30, r2= 1.80, r3= 6.90, r4= 7.40,
 igr1= 697, 696,
 &end
#
#  46 PRO  HA     49 LEU  HN      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 712, 746, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  46 PRO  HA     49 LEU  HB2     6.20                
 &rst
  ixpk= 0, nxpk= 0, iat= 712, 750, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70,  &end
#
#  46 PRO  HA     49 LEU  HB3     6.20                
 &rst
  ixpk= 0, nxpk= 0, iat= 712, 751, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70,  &end
#
#  46 PRO  HA     49 LEU  QB      5.94                
 &rst
  ixpk= 0, nxpk= 0, iat= 712,  -1, r1= 1.30, r2= 1.80, r3= 6.67, r4= 7.17,
 igr2= 750, 751,
 &end
#
#  46 PRO  HA     49 LEU  QQD     9.17                
 &rst
  ixpk= 0, nxpk= 0, iat= 712,  -1, r1= 1.30, r2= 1.80, r3=12.36, r4=12.86,
 igr2= 759, 760, 761, 755, 756, 757,
 &end
#
#  46 PRO  HA     50 GLU- QG      7.48                
 &rst
  ixpk= 0, nxpk= 0, iat= 712,  -1, r1= 1.30, r2= 1.80, r3= 8.40, r4= 8.90,
 igr2= 772, 773,
 &end
#
#  46 PRO  HA     88 TYR  QD      8.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 712,  -1, r1= 1.30, r2= 1.80, r3= 9.65, r4=10.15,
 igr2=1372,1381,
 &end
#
#  46 PRO  HA     92 PHE  QE      8.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 712,  -1, r1= 1.30, r2= 1.80, r3= 9.65, r4=10.15,
 igr2=1448,1452,
 &end
#
#  46 PRO  HA     92 PHE  HZ      5.70                
 &rst
  ixpk= 0, nxpk= 0, iat= 712,1450, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,  &end
#
#  46 PRO  HB2    92 PHE  HZ      5.70                
 &rst
  ixpk= 0, nxpk= 0, iat= 709,1450, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,  &end
#
#  46 PRO  HB3    92 PHE  HZ      5.70                
 &rst
  ixpk= 0, nxpk= 0, iat= 710,1450, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,  &end
#
#  46 PRO  QB     47 GLU- HN      4.35                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 716, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,
 igr1= 709, 710,
 &end
#
#  46 PRO  QB     92 PHE  QE      7.48                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.42, r4= 9.92,
 igr1= 709, 710,
 igr2=1448,1452,
 &end
#
#  46 PRO  QB     92 PHE  HZ      5.48                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1450, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65,
 igr1= 709, 710,
 &end
#
#  47 GLU- HN     47 GLU- QG      7.20                
 &rst
  ixpk= 0, nxpk= 0, iat= 716,  -1, r1= 1.30, r2= 1.80, r3= 8.08, r4= 8.58,
 igr2= 723, 724,
 &end
#
#  47 GLU- HN     48 GLU- HN      4.80                
 &rst
  ixpk= 0, nxpk= 0, iat= 716, 731, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,  &end
#
#  47 GLU- HN     49 LEU  HN      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 716, 746, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  47 GLU- HN     49 LEU  QB      6.38                
 &rst
  ixpk= 0, nxpk= 0, iat= 716,  -1, r1= 1.30, r2= 1.80, r3= 7.16, r4= 7.66,
 igr2= 750, 751,
 &end
#
#  47 GLU- HN     49 LEU  QQD     9.17                
 &rst
  ixpk= 0, nxpk= 0, iat= 716,  -1, r1= 1.30, r2= 1.80, r3=12.36, r4=12.86,
 igr2= 759, 760, 761, 755, 756, 757,
 &end
#
#  47 GLU- HN     50 GLU- HN      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 716, 765, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  47 GLU- HA     50 GLU- HG2     6.20                
 &rst
  ixpk= 0, nxpk= 0, iat= 718, 772, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70,  &end
#
#  47 GLU- HA     50 GLU- HG3     6.20                
 &rst
  ixpk= 0, nxpk= 0, iat= 718, 773, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70,  &end
#
#  47 GLU- HA     50 GLU- QG      5.89                
 &rst
  ixpk= 0, nxpk= 0, iat= 718,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 772, 773,
 &end
#
#  47 GLU- QG     48 GLU- HN      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 731, r1= 1.30, r2= 1.80, r3= 8.53, r4= 9.03,
 igr1= 723, 724,
 &end
#
#  48 GLU- HN     49 LEU  HN      5.10                
 &rst
  ixpk= 0, nxpk= 0, iat= 731, 746, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,  &end
#
#  48 GLU- HN     49 LEU  QB      5.78                
 &rst
  ixpk= 0, nxpk= 0, iat= 731,  -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
 igr2= 750, 751,
 &end
#
#  48 GLU- HN     49 LEU  QQD     9.17                
 &rst
  ixpk= 0, nxpk= 0, iat= 731,  -1, r1= 1.30, r2= 1.80, r3=12.36, r4=12.86,
 igr2= 759, 760, 761, 755, 756, 757,
 &end
#
#  48 GLU- HA     49 LEU  QB      7.38                
 &rst
  ixpk= 0, nxpk= 0, iat= 733,  -1, r1= 1.30, r2= 1.80, r3= 8.28, r4= 8.78,
 igr2= 750, 751,
 &end
#
#  48 GLU- HA     50 GLU- HN      6.20                
 &rst
  ixpk= 0, nxpk= 0, iat= 733, 765, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70,  &end
#
#  48 GLU- HA     51 LYS+ HN      6.30                
 &rst
  ixpk= 0, nxpk= 0, iat= 733, 780, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,  &end
#
#  48 GLU- HA     52 MET  HN      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 733, 802, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  49 LEU  HN     49 LEU  HG      5.00                
 &rst
  ixpk= 0, nxpk= 0, iat= 746, 753, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  49 LEU  HN     49 LEU  QD1     6.20                
 &rst
  ixpk= 0, nxpk= 0, iat= 746,  -1, r1= 1.30, r2= 1.80, r3= 7.45, r4= 7.95,
 igr2= 755, 756, 757,
 &end
#
#  49 LEU  HN     49 LEU  QD2     6.20                
 &rst
  ixpk= 0, nxpk= 0, iat= 746,  -1, r1= 1.30, r2= 1.80, r3= 7.45, r4= 7.95,
 igr2= 759, 760, 761,
 &end
#
#  49 LEU  HN     49 LEU  QQD     5.84                
 &rst
  ixpk= 0, nxpk= 0, iat= 746,  -1, r1= 1.30, r2= 1.80, r3= 7.87, r4= 8.37,
 igr2= 759, 760, 761, 755, 756, 757,
 &end
#
#  49 LEU  HN     50 GLU- HN      5.00                
 &rst
  ixpk= 0, nxpk= 0, iat= 746, 765, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  49 LEU  HN     52 MET  HN      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 746, 802, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  49 LEU  HN     92 PHE  QD      8.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 746,  -1, r1= 1.30, r2= 1.80, r3= 9.65, r4=10.15,
 igr2=1446,1454,
 &end
#
#  49 LEU  HN     92 PHE  QE      8.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 746,  -1, r1= 1.30, r2= 1.80, r3= 9.65, r4=10.15,
 igr2=1448,1452,
 &end
#
#  49 LEU  HA     49 LEU  QD1     6.90                
 &rst
  ixpk= 0, nxpk= 0, iat= 748,  -1, r1= 1.30, r2= 1.80, r3= 8.29, r4= 8.79,
 igr2= 755, 756, 757,
 &end
#
#  49 LEU  HA     49 LEU  QD2     6.90                
 &rst
  ixpk= 0, nxpk= 0, iat= 748,  -1, r1= 1.30, r2= 1.80, r3= 8.29, r4= 8.79,
 igr2= 759, 760, 761,
 &end
#
#  49 LEU  HA     52 MET  HN      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 748, 802, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  49 LEU  HA     52 MET  QB      6.40                
 &rst
  ixpk= 0, nxpk= 0, iat= 748,  -1, r1= 1.30, r2= 1.80, r3= 7.18, r4= 7.68,
 igr2= 806, 807,
 &end
#
#  49 LEU  HA     52 MET  QE      5.10                
 &rst
  ixpk= 0, nxpk= 0, iat= 748,  -1, r1= 1.30, r2= 1.80, r3= 6.12, r4= 6.62,
 igr2= 813, 814, 815,
 &end
#
#  49 LEU  HB2    50 GLU- HN      6.00                
 &rst
  ixpk= 0, nxpk= 0, iat= 750, 765, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#  49 LEU  HB3    50 GLU- HN      6.00                
 &rst
  ixpk= 0, nxpk= 0, iat= 751, 765, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#  49 LEU  QB     50 GLU- HN      5.64                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 765, r1= 1.30, r2= 1.80, r3= 6.33, r4= 6.83,
 igr1= 750, 751,
 &end
#
#  49 LEU  QB     53 ILE  HN      7.38                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 819, r1= 1.30, r2= 1.80, r3= 8.28, r4= 8.78,
 igr1= 750, 751,
 &end
#
#  49 LEU  QB     92 PHE  QE      9.48                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=11.94, r4=12.44,
 igr1= 750, 751,
 igr2=1448,1452,
 &end
#
#  49 LEU  HG     50 GLU- HN      5.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 753, 765, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,  &end
#
#  49 LEU  HG     92 PHE  QE      8.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 753,  -1, r1= 1.30, r2= 1.80, r3= 9.65, r4=10.15,
 igr2=1448,1452,
 &end
#
#  49 LEU  QD1    50 GLU- HN      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 765, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr1= 755, 756, 757,
 &end
#
#  49 LEU  QD1    72 PHE  QD      9.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=12.94, r4=13.44,
 igr1= 755, 756, 757,
 igr2=1122,1130,
 &end
#
#  49 LEU  QD1    88 TYR  QE      9.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=12.94, r4=13.44,
 igr1= 755, 756, 757,
 igr2=1374,1379,
 &end
#
#  49 LEU  QD1    92 PHE  QD      9.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=12.94, r4=13.44,
 igr1= 755, 756, 757,
 igr2=1446,1454,
 &end
#
#  49 LEU  QD1    92 PHE  QE      9.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=12.94, r4=13.44,
 igr1= 755, 756, 757,
 igr2=1448,1452,
 &end
#
#  49 LEU  QD2    50 GLU- HN      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 765, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr1= 759, 760, 761,
 &end
#
#  49 LEU  QD2    72 PHE  QD      9.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=12.94, r4=13.44,
 igr1= 759, 760, 761,
 igr2=1122,1130,
 &end
#
#  49 LEU  QD2    88 TYR  QE      9.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=12.94, r4=13.44,
 igr1= 759, 760, 761,
 igr2=1374,1379,
 &end
#
#  49 LEU  QD2    92 PHE  QD      9.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=12.94, r4=13.44,
 igr1= 759, 760, 761,
 igr2=1446,1454,
 &end
#
#  49 LEU  QD2    92 PHE  QE      9.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=12.94, r4=13.44,
 igr1= 759, 760, 761,
 igr2=1448,1452,
 &end
#
#  49 LEU  QQD    52 MET  QB     10.17                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=15.39, r4=15.89,
 igr1= 759, 760, 761, 755, 756, 757,
 igr2= 806, 807,
 &end
#
#  49 LEU  QQD    53 ILE  HN      9.17                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 819, r1= 1.30, r2= 1.80, r3=12.36, r4=12.86,
 igr1= 759, 760, 761, 755, 756, 757,
 &end
#
#  49 LEU  QQD    72 PHE  QB     10.05                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=15.21, r4=15.71,
 igr1= 759, 760, 761, 755, 756, 757,
 igr2=1118,1119,
 &end
#
#  49 LEU  QQD    72 PHE  QE     11.17                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=16.90, r4=17.40,
 igr1= 759, 760, 761, 755, 756, 757,
 igr2=1124,1128,
 &end
#
#  49 LEU  QQD    72 PHE  HZ      9.17                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1126, r1= 1.30, r2= 1.80, r3=12.36, r4=12.86,
 igr1= 759, 760, 761, 755, 756, 757,
 &end
#
#  49 LEU  QQD    88 TYR  QD     11.17                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=16.90, r4=17.40,
 igr1= 759, 760, 761, 755, 756, 757,
 igr2=1372,1381,
 &end
#
#  49 LEU  QQD    92 PHE  QB     10.05                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=15.21, r4=15.71,
 igr1= 759, 760, 761, 755, 756, 757,
 igr2=1442,1443,
 &end
#
#  49 LEU  QQD    92 PHE  HZ      9.17                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1450, r1= 1.30, r2= 1.80, r3=12.36, r4=12.86,
 igr1= 759, 760, 761, 755, 756, 757,
 &end
#
#  49 LEU  QQD    96 LEU  QB     10.05                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=15.21, r4=15.71,
 igr1= 759, 760, 761, 755, 756, 757,
 igr2=1509,1510,
 &end
#
#  49 LEU  QQD    96 LEU  QQD    11.74                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=21.33, r4=21.83,
 igr1= 759, 760, 761, 755, 756, 757,
 igr2=1518,1519,1520,1514,1515,1516,
 &end
#
#  50 GLU- HN     50 GLU- HG2     5.30                
 &rst
  ixpk= 0, nxpk= 0, iat= 765, 772, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,  &end
#
#  50 GLU- HN     50 GLU- HG3     5.30                
 &rst
  ixpk= 0, nxpk= 0, iat= 765, 773, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,  &end
#
#  50 GLU- HN     50 GLU- QG      4.79                
 &rst
  ixpk= 0, nxpk= 0, iat= 765,  -1, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88,
 igr2= 772, 773,
 &end
#
#  50 GLU- HN     51 LYS+ HN      4.80                
 &rst
  ixpk= 0, nxpk= 0, iat= 765, 780, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,  &end
#
#  50 GLU- HN     52 MET  HN      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 765, 802, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  50 GLU- HN     92 PHE  QD      8.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 765,  -1, r1= 1.30, r2= 1.80, r3= 9.65, r4=10.15,
 igr2=1446,1454,
 &end
#
#  50 GLU- HN     92 PHE  QE      8.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 765,  -1, r1= 1.30, r2= 1.80, r3= 9.65, r4=10.15,
 igr2=1448,1452,
 &end
#
#  50 GLU- HA     53 ILE  HN      6.10                
 &rst
  ixpk= 0, nxpk= 0, iat= 767, 819, r1= 1.30, r2= 1.80, r3= 6.10, r4= 6.60,  &end
#
#  50 GLU- HA     92 PHE  QD      8.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 767,  -1, r1= 1.30, r2= 1.80, r3= 9.65, r4=10.15,
 igr2=1446,1454,
 &end
#
#  50 GLU- HA     92 PHE  QE      8.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 767,  -1, r1= 1.30, r2= 1.80, r3= 9.65, r4=10.15,
 igr2=1448,1452,
 &end
#
#  50 GLU- QB     92 PHE  QD      9.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=12.10, r4=12.60,
 igr1= 769, 770,
 igr2=1446,1454,
 &end
#
#  50 GLU- QB     92 PHE  QE      9.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=12.10, r4=12.60,
 igr1= 769, 770,
 igr2=1448,1452,
 &end
#
#  50 GLU- HG2    51 LYS+ HN      6.10                
 &rst
  ixpk= 0, nxpk= 0, iat= 772, 780, r1= 1.30, r2= 1.80, r3= 6.10, r4= 6.60,  &end
#
#  50 GLU- HG2    54 GLN  HE21    7.95                
 &rst
  ixpk= 0, nxpk= 0, iat= 772, 850, r1= 1.30, r2= 1.80, r3= 7.95, r4= 8.45,  &end
#
#  50 GLU- HG2    54 GLN  HE22    7.95                
 &rst
  ixpk= 0, nxpk= 0, iat= 772, 851, r1= 1.30, r2= 1.80, r3= 7.95, r4= 8.45,  &end
#
#  50 GLU- HG2    92 PHE  QD      8.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 772,  -1, r1= 1.30, r2= 1.80, r3= 9.65, r4=10.15,
 igr2=1446,1454,
 &end
#
#  50 GLU- HG2    92 PHE  QE      8.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 772,  -1, r1= 1.30, r2= 1.80, r3= 9.65, r4=10.15,
 igr2=1448,1452,
 &end
#
#  50 GLU- HG3    51 LYS+ HN      6.10                
 &rst
  ixpk= 0, nxpk= 0, iat= 773, 780, r1= 1.30, r2= 1.80, r3= 6.10, r4= 6.60,  &end
#
#  50 GLU- HG3    54 GLN  HE21    7.95                
 &rst
  ixpk= 0, nxpk= 0, iat= 773, 850, r1= 1.30, r2= 1.80, r3= 7.95, r4= 8.45,  &end
#
#  50 GLU- HG3    54 GLN  HE22    7.95                
 &rst
  ixpk= 0, nxpk= 0, iat= 773, 851, r1= 1.30, r2= 1.80, r3= 7.95, r4= 8.45,  &end
#
#  50 GLU- HG3    92 PHE  QD      8.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 773,  -1, r1= 1.30, r2= 1.80, r3= 9.65, r4=10.15,
 igr2=1446,1454,
 &end
#
#  50 GLU- HG3    92 PHE  QE      8.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 773,  -1, r1= 1.30, r2= 1.80, r3= 9.65, r4=10.15,
 igr2=1448,1452,
 &end
#
#  50 GLU- QG     51 LYS+ HN      5.51                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 780, r1= 1.30, r2= 1.80, r3= 6.18, r4= 6.68,
 igr1= 772, 773,
 &end
#
#  50 GLU- QG     54 GLN  QE2     6.36                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.01, r4= 8.51,
 igr1= 772, 773,
 igr2= 850, 851,
 &end
#
#  50 GLU- QG     92 PHE  QD      8.41                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.60, r4=11.10,
 igr1= 772, 773,
 igr2=1446,1454,
 &end
#
#  51 LYS+ HN     51 LYS+ QG      5.50                
 &rst
  ixpk= 0, nxpk= 0, iat= 780,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 787, 788,
 &end
#
#  51 LYS+ HN     51 LYS+ QD      6.80                
 &rst
  ixpk= 0, nxpk= 0, iat= 780,  -1, r1= 1.30, r2= 1.80, r3= 7.63, r4= 8.13,
 igr2= 790, 791,
 &end
#
#  51 LYS+ HN     51 LYS+ QE      7.40                
 &rst
  ixpk= 0, nxpk= 0, iat= 780,  -1, r1= 1.30, r2= 1.80, r3= 8.31, r4= 8.81,
 igr2= 793, 794,
 &end
#
#  51 LYS+ HN     52 MET  HN      4.70                
 &rst
  ixpk= 0, nxpk= 0, iat= 780, 802, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,  &end
#
#  51 LYS+ HA     51 LYS+ QD      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 782,  -1, r1= 1.30, r2= 1.80, r3= 8.53, r4= 9.03,
 igr2= 790, 791,
 &end
#
#  51 LYS+ HA     51 LYS+ QE      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 782,  -1, r1= 1.30, r2= 1.80, r3= 8.53, r4= 9.03,
 igr2= 793, 794,
 &end
#
#  51 LYS+ HA     53 ILE  HN      6.40                
 &rst
  ixpk= 0, nxpk= 0, iat= 782, 819, r1= 1.30, r2= 1.80, r3= 6.40, r4= 6.90,  &end
#
#  51 LYS+ HA     54 GLN  HN      5.90                
 &rst
  ixpk= 0, nxpk= 0, iat= 782, 838, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,  &end
#
#  51 LYS+ HA     54 GLN  QB      5.68                
 &rst
  ixpk= 0, nxpk= 0, iat= 782,  -1, r1= 1.30, r2= 1.80, r3= 6.38, r4= 6.88,
 igr2= 842, 843,
 &end
#
#  51 LYS+ HA     54 GLN  HG2     6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 782, 845, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  51 LYS+ HA     54 GLN  HG3     6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 782, 846, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  51 LYS+ HA     54 GLN  HE21    5.50                
 &rst
  ixpk= 0, nxpk= 0, iat= 782, 850, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  51 LYS+ HA     54 GLN  HE22    5.50                
 &rst
  ixpk= 0, nxpk= 0, iat= 782, 851, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  51 LYS+ QB     51 LYS+ QE      8.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.84, r4=11.34,
 igr1= 784, 785,
 igr2= 793, 794,
 &end
#
#  51 LYS+ QB     52 MET  HN      5.80                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 802, r1= 1.30, r2= 1.80, r3= 6.51, r4= 7.01,
 igr1= 784, 785,
 &end
#
#  51 LYS+ QB    158 ILE  QD1     8.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=11.59, r4=12.09,
 igr1= 784, 785,
 igr2=2498,2499,2500,
 &end
#
#  51 LYS+ QG     52 MET  HN      7.20                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 802, r1= 1.30, r2= 1.80, r3= 8.08, r4= 8.58,
 igr1= 787, 788,
 &end
#
#  51 LYS+ QG     55 VAL  QQG    10.16                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=15.37, r4=15.87,
 igr1= 787, 788,
 igr2= 861, 862, 863, 865, 866, 867,
 &end
#
#  51 LYS+ QD     52 MET  HN      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 802, r1= 1.30, r2= 1.80, r3= 8.53, r4= 9.03,
 igr1= 790, 791,
 &end
#
#  51 LYS+ QD    155 LYS+ HN      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2441, r1= 1.30, r2= 1.80, r3= 8.53, r4= 9.03,
 igr1= 790, 791,
 &end
#
#  51 LYS+ QD    158 ILE  QG1     8.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.84, r4=11.34,
 igr1= 790, 791,
 igr2=2495,2496,
 &end
#
#  51 LYS+ QE     52 MET  HN      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 802, r1= 1.30, r2= 1.80, r3= 8.53, r4= 9.03,
 igr1= 793, 794,
 &end
#
#  51 LYS+ QE    155 LYS+ HN      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2441, r1= 1.30, r2= 1.80, r3= 8.53, r4= 9.03,
 igr1= 793, 794,
 &end
#
#  51 LYS+ QE    158 ILE  QD1     8.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=11.59, r4=12.09,
 igr1= 793, 794,
 igr2=2498,2499,2500,
 &end
#
#  52 MET  HN     52 MET  QG      6.10                
 &rst
  ixpk= 0, nxpk= 0, iat= 802,  -1, r1= 1.30, r2= 1.80, r3= 6.85, r4= 7.35,
 igr2= 809, 810,
 &end
#
#  52 MET  HN     52 MET  QE      4.70                
 &rst
  ixpk= 0, nxpk= 0, iat= 802,  -1, r1= 1.30, r2= 1.80, r3= 5.64, r4= 6.14,
 igr2= 813, 814, 815,
 &end
#
#  52 MET  HN     53 ILE  HN      5.10                
 &rst
  ixpk= 0, nxpk= 0, iat= 802, 819, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,  &end
#
#  52 MET  HN     53 ILE  QD1     7.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 802,  -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr2= 832, 833, 834,
 &end
#
#  52 MET  HA     52 MET  QE      6.00                
 &rst
  ixpk= 0, nxpk= 0, iat= 804,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr2= 813, 814, 815,
 &end
#
#  52 MET  HA     54 GLN  HN      6.20                
 &rst
  ixpk= 0, nxpk= 0, iat= 804, 838, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70,  &end
#
#  52 MET  HA     55 VAL  HN      6.40                
 &rst
  ixpk= 0, nxpk= 0, iat= 804, 855, r1= 1.30, r2= 1.80, r3= 6.40, r4= 6.90,  &end
#
#  52 MET  HA     55 VAL  HB      6.10                
 &rst
  ixpk= 0, nxpk= 0, iat= 804, 859, r1= 1.30, r2= 1.80, r3= 6.10, r4= 6.60,  &end
#
#  52 MET  HA     55 VAL  QG1     7.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 804,  -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr2= 861, 862, 863,
 &end
#
#  52 MET  HA     55 VAL  QG2     7.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 804,  -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr2= 865, 866, 867,
 &end
#
#  52 MET  QB     52 MET  QE      4.40                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43,
 igr1= 806, 807,
 igr2= 813, 814, 815,
 &end
#
#  52 MET  QE     53 ILE  HN      6.50                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 819, r1= 1.30, r2= 1.80, r3= 7.81, r4= 8.31,
 igr1= 813, 814, 815,
 &end
#
#  52 MET  QE    136 MET  HG2     7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2141, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr1= 813, 814, 815,
 &end
#
#  52 MET  QE    136 MET  HG3     7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2142, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr1= 813, 814, 815,
 &end
#
#  52 MET  QE    158 ILE  QD1     8.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=12.40, r4=12.90,
 igr1= 813, 814, 815,
 igr2=2498,2499,2500,
 &end
#
#  53 ILE  HN     53 ILE  HB      4.00                
 &rst
  ixpk= 0, nxpk= 0, iat= 819, 823, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  53 ILE  HN     53 ILE  HG12    5.20                
 &rst
  ixpk= 0, nxpk= 0, iat= 819, 829, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,  &end
#
#  53 ILE  HN     53 ILE  HG13    5.20                
 &rst
  ixpk= 0, nxpk= 0, iat= 819, 830, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,  &end
#
#  53 ILE  HN     53 ILE  QG1     4.69                
 &rst
  ixpk= 0, nxpk= 0, iat= 819,  -1, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76,
 igr2= 829, 830,
 &end
#
#  53 ILE  HN     53 ILE  QD1     5.30                
 &rst
  ixpk= 0, nxpk= 0, iat= 819,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr2= 832, 833, 834,
 &end
#
#  53 ILE  HN     54 GLN  HN      4.50                
 &rst
  ixpk= 0, nxpk= 0, iat= 819, 838, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  53 ILE  HN     54 GLN  HG2     5.50                
 &rst
  ixpk= 0, nxpk= 0, iat= 819, 845, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  53 ILE  HN     54 GLN  HG3     5.50                
 &rst
  ixpk= 0, nxpk= 0, iat= 819, 846, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  53 ILE  HN     54 GLN  QG      5.13                
 &rst
  ixpk= 0, nxpk= 0, iat= 819,  -1, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26,
 igr2= 845, 846,
 &end
#
#  53 ILE  HN     54 GLN  HE21    6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 819, 850, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  53 ILE  HN     54 GLN  HE22    6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 819, 851, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  53 ILE  HA     55 VAL  QQG     9.16                
 &rst
  ixpk= 0, nxpk= 0, iat= 821,  -1, r1= 1.30, r2= 1.80, r3=12.35, r4=12.85,
 igr2= 861, 862, 863, 865, 866, 867,
 &end
#
#  53 ILE  HA     56 VAL  HB      6.40                
 &rst
  ixpk= 0, nxpk= 0, iat= 821, 875, r1= 1.30, r2= 1.80, r3= 6.40, r4= 6.90,  &end
#
#  53 ILE  HA     57 ASP- HN      5.90                
 &rst
  ixpk= 0, nxpk= 0, iat= 821, 887, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,  &end
#
#  53 ILE  HB     54 GLN  HN      4.10                
 &rst
  ixpk= 0, nxpk= 0, iat= 823, 838, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,  &end
#
#  53 ILE  QG2    54 GLN  HN      7.40                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 838, r1= 1.30, r2= 1.80, r3= 8.89, r4= 9.39,
 igr1= 825, 826, 827,
 &end
#
#  53 ILE  QG2    93 SER  HN      6.70                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1458, r1= 1.30, r2= 1.80, r3= 8.05, r4= 8.55,
 igr1= 825, 826, 827,
 &end
#
#  53 ILE  QG2    93 SER  HA      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1460, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
 igr1= 825, 826, 827,
 &end
#
#  53 ILE  QG2    93 SER  QB      8.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=11.59, r4=12.09,
 igr1= 825, 826, 827,
 igr2=1462,1463,
 &end
#
#  53 ILE  HG12   54 GLN  HN      6.00                
 &rst
  ixpk= 0, nxpk= 0, iat= 829, 838, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#  53 ILE  HG13   54 GLN  HN      6.00                
 &rst
  ixpk= 0, nxpk= 0, iat= 830, 838, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#  53 ILE  QG1    54 GLN  HN      5.74                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 838, r1= 1.30, r2= 1.80, r3= 6.44, r4= 6.94,
 igr1= 829, 830,
 &end
#
#  53 ILE  QD1    54 GLN  HN      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 838, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr1= 832, 833, 834,
 &end
#
#  53 ILE  QD1    56 VAL  HN      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 871, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr1= 832, 833, 834,
 &end
#
#  53 ILE  QD1    57 ASP- HN      7.30                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 887, r1= 1.30, r2= 1.80, r3= 8.77, r4= 9.27,
 igr1= 832, 833, 834,
 &end
#
#  53 ILE  QD1    93 SER  HN      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1458, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr1= 832, 833, 834,
 &end
#
#  53 ILE  QD1    93 SER  HA      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1460, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr1= 832, 833, 834,
 &end
#
#  53 ILE  QD1    93 SER  QB      8.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=11.59, r4=12.09,
 igr1= 832, 833, 834,
 igr2=1462,1463,
 &end
#
#  53 ILE  QD1    95 LYS+ QD      8.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=11.59, r4=12.09,
 igr1= 832, 833, 834,
 igr2=1493,1494,
 &end
#
#  53 ILE  QD1    96 LEU  HN      6.50                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1505, r1= 1.30, r2= 1.80, r3= 7.81, r4= 8.31,
 igr1= 832, 833, 834,
 &end
#
#  53 ILE  QD1    96 LEU  HB2     7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1509, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr1= 832, 833, 834,
 &end
#
#  53 ILE  QD1    96 LEU  HB3     7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1510, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr1= 832, 833, 834,
 &end
#
#  54 GLN  HN     54 GLN  HG2     5.10                
 &rst
  ixpk= 0, nxpk= 0, iat= 838, 845, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,  &end
#
#  54 GLN  HN     54 GLN  HG3     5.10                
 &rst
  ixpk= 0, nxpk= 0, iat= 838, 846, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,  &end
#
#  54 GLN  HN     54 GLN  QG      4.59                
 &rst
  ixpk= 0, nxpk= 0, iat= 838,  -1, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,
 igr2= 845, 846,
 &end
#
#  54 GLN  HN     54 GLN  HE21    5.80                
 &rst
  ixpk= 0, nxpk= 0, iat= 838, 850, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,  &end
#
#  54 GLN  HN     54 GLN  HE22    5.80                
 &rst
  ixpk= 0, nxpk= 0, iat= 838, 851, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,  &end
#
#  54 GLN  HN     54 GLN  QE2     5.54                
 &rst
  ixpk= 0, nxpk= 0, iat= 838,  -1, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
 igr2= 850, 851,
 &end
#
#  54 GLN  HN     55 VAL  HN      3.70                
 &rst
  ixpk= 0, nxpk= 0, iat= 838, 855, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,  &end
#
#  54 GLN  HN     55 VAL  QG1     7.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 838,  -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr2= 861, 862, 863,
 &end
#
#  54 GLN  HN     55 VAL  QG2     7.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 838,  -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr2= 865, 866, 867,
 &end
#
#  54 GLN  HN     55 VAL  QQG     6.67                
 &rst
  ixpk= 0, nxpk= 0, iat= 838,  -1, r1= 1.30, r2= 1.80, r3= 8.99, r4= 9.49,
 igr2= 861, 862, 863, 865, 866, 867,
 &end
#
#  54 GLN  HN     57 ASP- HN      6.40                
 &rst
  ixpk= 0, nxpk= 0, iat= 838, 887, r1= 1.30, r2= 1.80, r3= 6.40, r4= 6.90,  &end
#
#  54 GLN  HN    155 LYS+ HD2     6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 838,2451, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  54 GLN  HN    155 LYS+ HD3     6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 838,2452, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  54 GLN  HA     54 GLN  HE21    6.30                
 &rst
  ixpk= 0, nxpk= 0, iat= 840, 850, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,  &end
#
#  54 GLN  HA     54 GLN  HE22    6.30                
 &rst
  ixpk= 0, nxpk= 0, iat= 840, 851, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,  &end
#
#  54 GLN  HA     54 GLN  QE2     6.14                
 &rst
  ixpk= 0, nxpk= 0, iat= 840,  -1, r1= 1.30, r2= 1.80, r3= 6.89, r4= 7.39,
 igr2= 850, 851,
 &end
#
#  54 GLN  HA     57 ASP- HN      5.20                
 &rst
  ixpk= 0, nxpk= 0, iat= 840, 887, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,  &end
#
#  54 GLN  HA     57 ASP- HB2     5.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 840, 891, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,  &end
#
#  54 GLN  HA     57 ASP- HB3     5.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 840, 892, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,  &end
#
#  54 GLN  HA     57 ASP- QB      5.28                
 &rst
  ixpk= 0, nxpk= 0, iat= 840,  -1, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43,
 igr2= 891, 892,
 &end
#
#  54 GLN  HB2    54 GLN  HE21    6.40                
 &rst
  ixpk= 0, nxpk= 0, iat= 842, 850, r1= 1.30, r2= 1.80, r3= 6.40, r4= 6.90,  &end
#
#  54 GLN  HB2    54 GLN  HE22    6.40                
 &rst
  ixpk= 0, nxpk= 0, iat= 842, 851, r1= 1.30, r2= 1.80, r3= 6.40, r4= 6.90,  &end
#
#  54 GLN  HB2    55 VAL  HN      5.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 842, 855, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,  &end
#
#  54 GLN  HB2   155 LYS+ HD2     7.15                
 &rst
  ixpk= 0, nxpk= 0, iat= 842,2451, r1= 1.30, r2= 1.80, r3= 7.15, r4= 7.65,  &end
#
#  54 GLN  HB2   155 LYS+ HD3     7.15                
 &rst
  ixpk= 0, nxpk= 0, iat= 842,2452, r1= 1.30, r2= 1.80, r3= 7.15, r4= 7.65,  &end
#
#  54 GLN  HB3    54 GLN  HE21    6.40                
 &rst
  ixpk= 0, nxpk= 0, iat= 843, 850, r1= 1.30, r2= 1.80, r3= 6.40, r4= 6.90,  &end
#
#  54 GLN  HB3    54 GLN  HE22    6.40                
 &rst
  ixpk= 0, nxpk= 0, iat= 843, 851, r1= 1.30, r2= 1.80, r3= 6.40, r4= 6.90,  &end
#
#  54 GLN  HB3    55 VAL  HN      5.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 843, 855, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,  &end
#
#  54 GLN  HB3   155 LYS+ HD2     7.15                
 &rst
  ixpk= 0, nxpk= 0, iat= 843,2451, r1= 1.30, r2= 1.80, r3= 7.15, r4= 7.65,  &end
#
#  54 GLN  HB3   155 LYS+ HD3     7.15                
 &rst
  ixpk= 0, nxpk= 0, iat= 843,2452, r1= 1.30, r2= 1.80, r3= 7.15, r4= 7.65,  &end
#
#  54 GLN  QB     56 VAL  QQG    10.04                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=15.19, r4=15.69,
 igr1= 842, 843,
 igr2= 877, 878, 879, 881, 882, 883,
 &end
#
#  54 GLN  QB     57 ASP- QB      7.65                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.64, r4=10.14,
 igr1= 842, 843,
 igr2= 891, 892,
 &end
#
#  54 GLN  QB    155 LYS+ QG      8.48                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.68, r4=11.18,
 igr1= 842, 843,
 igr2=2448,2449,
 &end
#
#  54 GLN  QB    155 LYS+ QD      6.21                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.82, r4= 8.32,
 igr1= 842, 843,
 igr2=2451,2452,
 &end
#
#  54 GLN  HG2    55 VAL  HN      5.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 845, 855, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,  &end
#
#  54 GLN  HG2   155 LYS+ HD2     8.35                
 &rst
  ixpk= 0, nxpk= 0, iat= 845,2451, r1= 1.30, r2= 1.80, r3= 8.35, r4= 8.85,  &end
#
#  54 GLN  HG2   155 LYS+ HD3     8.35                
 &rst
  ixpk= 0, nxpk= 0, iat= 845,2452, r1= 1.30, r2= 1.80, r3= 8.35, r4= 8.85,  &end
#
#  54 GLN  HG3    55 VAL  HN      5.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 846, 855, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,  &end
#
#  54 GLN  HG3   155 LYS+ HD2     8.35                
 &rst
  ixpk= 0, nxpk= 0, iat= 846,2451, r1= 1.30, r2= 1.80, r3= 8.35, r4= 8.85,  &end
#
#  54 GLN  HG3   155 LYS+ HD3     8.35                
 &rst
  ixpk= 0, nxpk= 0, iat= 846,2452, r1= 1.30, r2= 1.80, r3= 8.35, r4= 8.85,  &end
#
#  54 GLN  QG     55 VAL  HN      5.38                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 855, r1= 1.30, r2= 1.80, r3= 6.04, r4= 6.54,
 igr1= 845, 846,
 &end
#
#  54 GLN  QG    155 LYS+ QG      8.38                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.56, r4=11.06,
 igr1= 845, 846,
 igr2=2448,2449,
 &end
#
#  54 GLN  QG    155 LYS+ QD      7.42                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.35, r4= 9.85,
 igr1= 845, 846,
 igr2=2451,2452,
 &end
#
#  54 GLN  HE21  155 LYS+ QG      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 850,  -1, r1= 1.30, r2= 1.80, r3= 8.53, r4= 9.03,
 igr2=2448,2449,
 &end
#
#  54 GLN  HE21  155 LYS+ HD2     7.85                
 &rst
  ixpk= 0, nxpk= 0, iat= 850,2451, r1= 1.30, r2= 1.80, r3= 7.85, r4= 8.35,  &end
#
#  54 GLN  HE21  155 LYS+ HD3     7.85                
 &rst
  ixpk= 0, nxpk= 0, iat= 850,2452, r1= 1.30, r2= 1.80, r3= 7.85, r4= 8.35,  &end
#
#  54 GLN  HE22  155 LYS+ QG      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 851,  -1, r1= 1.30, r2= 1.80, r3= 8.53, r4= 9.03,
 igr2=2448,2449,
 &end
#
#  54 GLN  HE22  155 LYS+ HD2     7.85                
 &rst
  ixpk= 0, nxpk= 0, iat= 851,2451, r1= 1.30, r2= 1.80, r3= 7.85, r4= 8.35,  &end
#
#  54 GLN  HE22  155 LYS+ HD3     7.85                
 &rst
  ixpk= 0, nxpk= 0, iat= 851,2452, r1= 1.30, r2= 1.80, r3= 7.85, r4= 8.35,  &end
#
#  54 GLN  QE2   155 LYS+ QG      7.25                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr1= 850, 851,
 igr2=2448,2449,
 &end
#
#  54 GLN  QE2   155 LYS+ QD      6.72                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.47, r4= 8.97,
 igr1= 850, 851,
 igr2=2451,2452,
 &end
#
#  55 VAL  HN     55 VAL  HB      4.00                
 &rst
  ixpk= 0, nxpk= 0, iat= 855, 859, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  55 VAL  HN     56 VAL  HN      4.90                
 &rst
  ixpk= 0, nxpk= 0, iat= 855, 871, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,  &end
#
#  55 VAL  HN     57 ASP- HN      6.20                
 &rst
  ixpk= 0, nxpk= 0, iat= 855, 887, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70,  &end
#
#  55 VAL  HN     58 GLU- HN      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 855, 899, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  55 VAL  HN    155 LYS+ HD2     6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 855,2451, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  55 VAL  HN    155 LYS+ HD3     6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 855,2452, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  55 VAL  HN    155 LYS+ QE      7.40                
 &rst
  ixpk= 0, nxpk= 0, iat= 855,  -1, r1= 1.30, r2= 1.80, r3= 8.31, r4= 8.81,
 igr2=2454,2455,
 &end
#
#  55 VAL  HA     57 ASP- HN      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 857, 887, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  55 VAL  HA     58 GLU- HN      5.80                
 &rst
  ixpk= 0, nxpk= 0, iat= 857, 899, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,  &end
#
#  55 VAL  HA     58 GLU- QB      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 857,  -1, r1= 1.30, r2= 1.80, r3= 8.53, r4= 9.03,
 igr2= 903, 904,
 &end
#
#  55 VAL  HA     58 GLU- QG      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 857,  -1, r1= 1.30, r2= 1.80, r3= 8.53, r4= 9.03,
 igr2= 906, 907,
 &end
#
#  55 VAL  HA    155 LYS+ QD      7.48                
 &rst
  ixpk= 0, nxpk= 0, iat= 857,  -1, r1= 1.30, r2= 1.80, r3= 8.40, r4= 8.90,
 igr2=2451,2452,
 &end
#
#  55 VAL  HA    159 ALA  QB      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 857,  -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr2=2508,2509,2510,
 &end
#
#  55 VAL  HB     56 VAL  HN      4.70                
 &rst
  ixpk= 0, nxpk= 0, iat= 859, 871, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,  &end
#
#  55 VAL  QG1   159 ALA  HN      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2504, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr1= 861, 862, 863,
 &end
#
#  55 VAL  QG1   159 ALA  HA      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2506, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr1= 861, 862, 863,
 &end
#
#  55 VAL  QG1   160 ALA  HN      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2514, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr1= 861, 862, 863,
 &end
#
#  55 VAL  QG2   159 ALA  HN      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2504, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr1= 865, 866, 867,
 &end
#
#  55 VAL  QG2   159 ALA  HA      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2506, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr1= 865, 866, 867,
 &end
#
#  55 VAL  QG2   160 ALA  HN      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2514, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr1= 865, 866, 867,
 &end
#
#  55 VAL  QQG    56 VAL  HN      8.66                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 871, r1= 1.30, r2= 1.80, r3=11.67, r4=12.17,
 igr1= 861, 862, 863, 865, 866, 867,
 &end
#
#  55 VAL  QQG    57 ASP- HN      9.16                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 887, r1= 1.30, r2= 1.80, r3=12.35, r4=12.85,
 igr1= 861, 862, 863, 865, 866, 867,
 &end
#
#  55 VAL  QQG    58 GLU- HN      9.16                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 899, r1= 1.30, r2= 1.80, r3=12.35, r4=12.85,
 igr1= 861, 862, 863, 865, 866, 867,
 &end
#
#  55 VAL  QQG   158 ILE  HB      9.16                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2489, r1= 1.30, r2= 1.80, r3=12.35, r4=12.85,
 igr1= 861, 862, 863, 865, 866, 867,
 &end
#
#  55 VAL  QQG   158 ILE  QG2     9.76                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=15.80, r4=16.30,
 igr1= 861, 862, 863, 865, 866, 867,
 igr2=2491,2492,2493,
 &end
#
#  55 VAL  QQG   159 ALA  HN      6.71                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2504, r1= 1.30, r2= 1.80, r3= 9.05, r4= 9.55,
 igr1= 861, 862, 863, 865, 866, 867,
 &end
#
#  55 VAL  QQG   159 ALA  QB     10.06                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=16.29, r4=16.79,
 igr1= 861, 862, 863, 865, 866, 867,
 igr2=2508,2509,2510,
 &end
#
#  55 VAL  QQG   162 ILE  HB      9.16                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2539, r1= 1.30, r2= 1.80, r3=12.35, r4=12.85,
 igr1= 861, 862, 863, 865, 866, 867,
 &end
#
#  56 VAL  HN     57 ASP- HN      4.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 871, 887, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,  &end
#
#  56 VAL  HA     59 ILE  HN      5.30                
 &rst
  ixpk= 0, nxpk= 0, iat= 873, 914, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,  &end
#
#  56 VAL  HA     59 ILE  HB      5.40                
 &rst
  ixpk= 0, nxpk= 0, iat= 873, 918, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,  &end
#
#  56 VAL  HA     59 ILE  QG2     3.40                
 &rst
  ixpk= 0, nxpk= 0, iat= 873,  -1, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58,
 igr2= 920, 921, 922,
 &end
#
#  56 VAL  HA     59 ILE  QD1     5.40                
 &rst
  ixpk= 0, nxpk= 0, iat= 873,  -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
 igr2= 927, 928, 929,
 &end
#
#  56 VAL  HA     60 ASP- HN      6.50                
 &rst
  ixpk= 0, nxpk= 0, iat= 873, 933, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,  &end
#
#  56 VAL  HA     68 LEU  HN      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 873,1048, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  56 VAL  HA     68 LEU  HB2     6.50                
 &rst
  ixpk= 0, nxpk= 0, iat= 873,1052, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,  &end
#
#  56 VAL  HA     68 LEU  HB3     6.50                
 &rst
  ixpk= 0, nxpk= 0, iat= 873,1053, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,  &end
#
#  56 VAL  HA     68 LEU  QB      6.15                
 &rst
  ixpk= 0, nxpk= 0, iat= 873,  -1, r1= 1.30, r2= 1.80, r3= 6.90, r4= 7.40,
 igr2=1052,1053,
 &end
#
#  56 VAL  HA     68 LEU  QQD     5.17                
 &rst
  ixpk= 0, nxpk= 0, iat= 873,  -1, r1= 1.30, r2= 1.80, r3= 6.97, r4= 7.47,
 igr2=1061,1062,1063,1057,1058,1059,
 &end
#
#  56 VAL  HB     57 ASP- HN      4.40                
 &rst
  ixpk= 0, nxpk= 0, iat= 875, 887, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,  &end
#
#  56 VAL  QG1    57 ASP- HN      6.90                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 887, r1= 1.30, r2= 1.80, r3= 8.29, r4= 8.79,
 igr1= 877, 878, 879,
 &end
#
#  56 VAL  QG1    68 LEU  HB2    10.72                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1052, r1= 1.30, r2= 1.80, r3=12.87, r4=13.37,
 igr1= 877, 878, 879,
 &end
#
#  56 VAL  QG1    68 LEU  HB3    10.72                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1053, r1= 1.30, r2= 1.80, r3=12.87, r4=13.37,
 igr1= 877, 878, 879,
 &end
#
#  56 VAL  QG2    57 ASP- HN      6.90                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 887, r1= 1.30, r2= 1.80, r3= 8.29, r4= 8.79,
 igr1= 881, 882, 883,
 &end
#
#  56 VAL  QG2    68 LEU  HB2    10.72                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1052, r1= 1.30, r2= 1.80, r3=12.87, r4=13.37,
 igr1= 881, 882, 883,
 &end
#
#  56 VAL  QG2    68 LEU  HB3    10.72                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1053, r1= 1.30, r2= 1.80, r3=12.87, r4=13.37,
 igr1= 881, 882, 883,
 &end
#
#  56 VAL  QQG    57 ASP- HN      6.13                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 887, r1= 1.30, r2= 1.80, r3= 8.26, r4= 8.76,
 igr1= 877, 878, 879, 881, 882, 883,
 &end
#
#  56 VAL  QQG    68 LEU  HN      8.06                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1048, r1= 1.30, r2= 1.80, r3=10.86, r4=11.36,
 igr1= 877, 878, 879, 881, 882, 883,
 &end
#
#  56 VAL  QQG    68 LEU  QB      9.07                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=13.72, r4=14.22,
 igr1= 877, 878, 879, 881, 882, 883,
 igr2=1052,1053,
 &end
#
#  57 ASP- HN     57 ASP- HB2     4.00                
 &rst
  ixpk= 0, nxpk= 0, iat= 887, 891, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  57 ASP- HN     57 ASP- HB3     4.00                
 &rst
  ixpk= 0, nxpk= 0, iat= 887, 892, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  57 ASP- HN     58 GLU- HN      4.30                
 &rst
  ixpk= 0, nxpk= 0, iat= 887, 899, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,  &end
#
#  57 ASP- HN     59 ILE  HB      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 887, 918, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  57 ASP- HN     60 ASP- HN      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 887, 933, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  57 ASP- HN     61 SER  HN      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 887, 945, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  57 ASP- HN     95 LYS+ QD      7.30                
 &rst
  ixpk= 0, nxpk= 0, iat= 887,  -1, r1= 1.30, r2= 1.80, r3= 8.19, r4= 8.69,
 igr2=1493,1494,
 &end
#
#  57 ASP- HA     59 ILE  HN      5.90                
 &rst
  ixpk= 0, nxpk= 0, iat= 889, 914, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,  &end
#
#  57 ASP- HA     60 ASP- HN      5.20                
 &rst
  ixpk= 0, nxpk= 0, iat= 889, 933, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,  &end
#
#  57 ASP- HA     60 ASP- HB2     5.40                
 &rst
  ixpk= 0, nxpk= 0, iat= 889, 937, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,  &end
#
#  57 ASP- HA     60 ASP- HB3     5.40                
 &rst
  ixpk= 0, nxpk= 0, iat= 889, 938, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,  &end
#
#  57 ASP- HA     60 ASP- QB      5.18                
 &rst
  ixpk= 0, nxpk= 0, iat= 889,  -1, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31,
 igr2= 937, 938,
 &end
#
#  57 ASP- HB2    58 GLU- HN      4.80                
 &rst
  ixpk= 0, nxpk= 0, iat= 891, 899, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,  &end
#
#  57 ASP- HB2    59 ILE  HN      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 891, 914, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  57 ASP- HB3    58 GLU- HN      4.80                
 &rst
  ixpk= 0, nxpk= 0, iat= 892, 899, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,  &end
#
#  57 ASP- HB3    59 ILE  HN      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 892, 914, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  57 ASP- QB     58 GLU- HN      4.52                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 899, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,
 igr1= 891, 892,
 &end
#
#  57 ASP- QB     59 ILE  HN      6.10                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 914, r1= 1.30, r2= 1.80, r3= 6.85, r4= 7.35,
 igr1= 891, 892,
 &end
#
#  58 GLU- HN     58 GLU- QG      4.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 899,  -1, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
 igr2= 906, 907,
 &end
#
#  58 GLU- HN     59 ILE  HN      4.10                
 &rst
  ixpk= 0, nxpk= 0, iat= 899, 914, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,  &end
#
#  58 GLU- HN     59 ILE  QG2     7.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 899,  -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr2= 920, 921, 922,
 &end
#
#  58 GLU- HN     59 ILE  QG1     7.38                
 &rst
  ixpk= 0, nxpk= 0, iat= 899,  -1, r1= 1.30, r2= 1.80, r3= 8.28, r4= 8.78,
 igr2= 924, 925,
 &end
#
#  58 GLU- HN     60 ASP- HN      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 899, 933, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  58 GLU- HA     60 ASP- HN      6.00                
 &rst
  ixpk= 0, nxpk= 0, iat= 901, 933, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#  58 GLU- QB     61 SER  QB      7.90                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.95, r4=10.45,
 igr1= 903, 904,
 igr2= 949, 950,
 &end
#
#  58 GLU- QB    159 ALA  QB      8.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=11.59, r4=12.09,
 igr1= 903, 904,
 igr2=2508,2509,2510,
 &end
#
#  58 GLU- QG     59 ILE  HN      5.70                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 914, r1= 1.30, r2= 1.80, r3= 6.40, r4= 6.90,
 igr1= 906, 907,
 &end
#
#  58 GLU- QG     60 ASP- HN      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 933, r1= 1.30, r2= 1.80, r3= 8.53, r4= 9.03,
 igr1= 906, 907,
 &end
#
#  58 GLU- QG    159 ALA  QB      8.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=11.59, r4=12.09,
 igr1= 906, 907,
 igr2=2508,2509,2510,
 &end
#
#  59 ILE  HN     59 ILE  HB      3.00                
 &rst
  ixpk= 0, nxpk= 0, iat= 914, 918, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  59 ILE  HN     59 ILE  HG12    4.90                
 &rst
  ixpk= 0, nxpk= 0, iat= 914, 924, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,  &end
#
#  59 ILE  HN     59 ILE  HG13    4.90                
 &rst
  ixpk= 0, nxpk= 0, iat= 914, 925, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,  &end
#
#  59 ILE  HN     59 ILE  QG1     4.43                
 &rst
  ixpk= 0, nxpk= 0, iat= 914,  -1, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47,
 igr2= 924, 925,
 &end
#
#  59 ILE  HN     59 ILE  QD1     5.00                
 &rst
  ixpk= 0, nxpk= 0, iat= 914,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2= 927, 928, 929,
 &end
#
#  59 ILE  HN     60 ASP- HN      4.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 914, 933, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,  &end
#
#  59 ILE  HN     61 SER  HN      6.20                
 &rst
  ixpk= 0, nxpk= 0, iat= 914, 945, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70,  &end
#
#  59 ILE  HN     62 ILE  HN      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 914, 956, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  59 ILE  HN     62 ILE  QD1     7.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 914,  -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr2= 969, 970, 971,
 &end
#
#  59 ILE  HA     61 SER  HN      6.10                
 &rst
  ixpk= 0, nxpk= 0, iat= 916, 945, r1= 1.30, r2= 1.80, r3= 6.10, r4= 6.60,  &end
#
#  59 ILE  HA     62 ILE  HN      5.30                
 &rst
  ixpk= 0, nxpk= 0, iat= 916, 956, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,  &end
#
#  59 ILE  HA     62 ILE  QD1     7.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 916,  -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr2= 969, 970, 971,
 &end
#
#  59 ILE  HB     60 ASP- HN      4.20                
 &rst
  ixpk= 0, nxpk= 0, iat= 918, 933, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,  &end
#
#  59 ILE  HB     65 LEU  QB      5.78                
 &rst
  ixpk= 0, nxpk= 0, iat= 918,  -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
 igr2=1007,1008,
 &end
#
#  59 ILE  HB    162 ILE  QD1     7.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 918,  -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr2=2548,2549,2550,
 &end
#
#  59 ILE  QG2    60 ASP- HN      6.70                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 933, r1= 1.30, r2= 1.80, r3= 8.05, r4= 8.55,
 igr1= 920, 921, 922,
 &end
#
#  59 ILE  QG2    67 ASP- HN      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1036, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr1= 920, 921, 922,
 &end
#
#  59 ILE  HG12   60 ASP- HN      6.00                
 &rst
  ixpk= 0, nxpk= 0, iat= 924, 933, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#  59 ILE  HG13   60 ASP- HN      6.00                
 &rst
  ixpk= 0, nxpk= 0, iat= 925, 933, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#  59 ILE  QG1    60 ASP- HN      5.55                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 933, r1= 1.30, r2= 1.80, r3= 6.23, r4= 6.73,
 igr1= 924, 925,
 &end
#
#  59 ILE  QG1    61 SER  HN      6.08                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 945, r1= 1.30, r2= 1.80, r3= 6.82, r4= 7.32,
 igr1= 924, 925,
 &end
#
#  59 ILE  QD1    60 ASP- HN      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 933, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
 igr1= 927, 928, 929,
 &end
#
#  59 ILE  QD1   159 ALA  QB      7.70                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=11.11, r4=11.61,
 igr1= 927, 928, 929,
 igr2=2508,2509,2510,
 &end
#
#  59 ILE  QD1   160 ALA  HN      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2514, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr1= 927, 928, 929,
 &end
#
#  59 ILE  QD1   162 ILE  HN      6.80                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2535, r1= 1.30, r2= 1.80, r3= 8.17, r4= 8.67,
 igr1= 927, 928, 929,
 &end
#
#  59 ILE  QD1   162 ILE  HA      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2537, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr1= 927, 928, 929,
 &end
#
#  59 ILE  QD1   162 ILE  HB      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2539, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr1= 927, 928, 929,
 &end
#
#  59 ILE  QD1   162 ILE  QG2     6.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.52, r4=10.02,
 igr1= 927, 928, 929,
 igr2=2541,2542,2543,
 &end
#
#  59 ILE  QD1   163 ALA  HN      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2554, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr1= 927, 928, 929,
 &end
#
#  60 ASP- HN     61 SER  HN      4.30                
 &rst
  ixpk= 0, nxpk= 0, iat= 933, 945, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,  &end
#
#  60 ASP- HN     62 ILE  HN      6.00                
 &rst
  ixpk= 0, nxpk= 0, iat= 933, 956, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#  60 ASP- HN     67 ASP- HA      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 933,1038, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  60 ASP- HA     68 LEU  HN      5.40                
 &rst
  ixpk= 0, nxpk= 0, iat= 935,1048, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,  &end
#
#  60 ASP- HB2    61 SER  HN      4.40                
 &rst
  ixpk= 0, nxpk= 0, iat= 937, 945, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,  &end
#
#  60 ASP- HB2    62 ILE  HN      6.50                
 &rst
  ixpk= 0, nxpk= 0, iat= 937, 956, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,  &end
#
#  60 ASP- HB3    61 SER  HN      4.40                
 &rst
  ixpk= 0, nxpk= 0, iat= 938, 945, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,  &end
#
#  60 ASP- HB3    62 ILE  HN      6.50                
 &rst
  ixpk= 0, nxpk= 0, iat= 938, 956, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,  &end
#
#  60 ASP- QB     61 SER  HN      4.21                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 945, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,
 igr1= 937, 938,
 &end
#
#  60 ASP- QB     62 ILE  HN      6.19                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 956, r1= 1.30, r2= 1.80, r3= 6.95, r4= 7.45,
 igr1= 937, 938,
 &end
#
#  61 SER  HN     62 ILE  HB      5.40                
 &rst
  ixpk= 0, nxpk= 0, iat= 945, 960, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,  &end
#
#  61 SER  HN     62 ILE  QG2     7.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 945,  -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr2= 962, 963, 964,
 &end
#
#  61 SER  HN     62 ILE  HG12    6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 945, 966, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  61 SER  HN     62 ILE  HG13    6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 945, 967, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  61 SER  HN     62 ILE  QD1     7.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 945,  -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr2= 969, 970, 971,
 &end
#
#  61 SER  HN     63 THR  HN      5.40                
 &rst
  ixpk= 0, nxpk= 0, iat= 945, 975, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,  &end
#
#  62 ILE  HN     62 ILE  HB      3.30                
 &rst
  ixpk= 0, nxpk= 0, iat= 956, 960, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
#  62 ILE  HN     62 ILE  HG12    5.40                
 &rst
  ixpk= 0, nxpk= 0, iat= 956, 966, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,  &end
#
#  62 ILE  HN     62 ILE  HG13    5.40                
 &rst
  ixpk= 0, nxpk= 0, iat= 956, 967, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,  &end
#
#  62 ILE  HN     62 ILE  QG1     4.99                
 &rst
  ixpk= 0, nxpk= 0, iat= 956,  -1, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,
 igr2= 966, 967,
 &end
#
#  62 ILE  HN     62 ILE  QD1     4.70                
 &rst
  ixpk= 0, nxpk= 0, iat= 956,  -1, r1= 1.30, r2= 1.80, r3= 5.64, r4= 6.14,
 igr2= 969, 970, 971,
 &end
#
#  62 ILE  HN     63 THR  HN      4.20                
 &rst
  ixpk= 0, nxpk= 0, iat= 956, 975, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,  &end
#
#  62 ILE  HN     64 THR  HN      5.80                
 &rst
  ixpk= 0, nxpk= 0, iat= 956, 989, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,  &end
#
#  62 ILE  HB     63 THR  HN      4.80                
 &rst
  ixpk= 0, nxpk= 0, iat= 960, 975, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,  &end
#
#  62 ILE  HB     64 THR  HN      6.20                
 &rst
  ixpk= 0, nxpk= 0, iat= 960, 989, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70,  &end
#
#  62 ILE  HB     65 LEU  HN      5.50                
 &rst
  ixpk= 0, nxpk= 0, iat= 960,1003, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  62 ILE  QG2    63 THR  HN      5.30                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 975, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1= 962, 963, 964,
 &end
#
#  62 ILE  QG2    63 THR  HB      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 979, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr1= 962, 963, 964,
 &end
#
#  62 ILE  QG2    64 THR  HN      5.30                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 989, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1= 962, 963, 964,
 &end
#
#  62 ILE  QG2    65 LEU  HN      3.40                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1003, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58,
 igr1= 962, 963, 964,
 &end
#
#  62 ILE  HG12   64 THR  HN      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 966, 989, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  62 ILE  HG13   64 THR  HN      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 967, 989, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  62 ILE  QG1    64 THR  HN      5.88                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 989, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,
 igr1= 966, 967,
 &end
#
#  62 ILE  QG1    65 LEU  HN      6.08                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1003, r1= 1.30, r2= 1.80, r3= 6.82, r4= 7.32,
 igr1= 966, 967,
 &end
#
#  62 ILE  QD1    63 THR  HN      6.10                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 975, r1= 1.30, r2= 1.80, r3= 7.33, r4= 7.83,
 igr1= 969, 970, 971,
 &end
#
#  62 ILE  QD1    63 THR  HA      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 977, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr1= 969, 970, 971,
 &end
#
#  63 THR  HN     63 THR  HB      4.20                
 &rst
  ixpk= 0, nxpk= 0, iat= 975, 979, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,  &end
#
#  63 THR  HN     64 THR  HN      4.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 975, 989, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,  &end
#
#  63 THR  HN     65 LEU  HN      5.20                
 &rst
  ixpk= 0, nxpk= 0, iat= 975,1003, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,  &end
#
#  63 THR  HA     65 LEU  HN      5.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 977,1003, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,  &end
#
#  63 THR  QG2    64 THR  HN      6.80                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 989, r1= 1.30, r2= 1.80, r3= 8.17, r4= 8.67,
 igr1= 981, 982, 983,
 &end
#
#  64 THR  HN     64 THR  QG2     4.40                
 &rst
  ixpk= 0, nxpk= 0, iat= 989,  -1, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
 igr2= 995, 996, 997,
 &end
#
#  64 THR  HN     65 LEU  HN      3.80                
 &rst
  ixpk= 0, nxpk= 0, iat= 989,1003, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30,  &end
#
#  64 THR  HN     65 LEU  QB      7.48                
 &rst
  ixpk= 0, nxpk= 0, iat= 989,  -1, r1= 1.30, r2= 1.80, r3= 8.40, r4= 8.90,
 igr2=1007,1008,
 &end
#
#  64 THR  HB     65 LEU  HN      4.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 993,1003, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,  &end
#
#  64 THR  HB    171 LYS+ QG      7.48                
 &rst
  ixpk= 0, nxpk= 0, iat= 993,  -1, r1= 1.30, r2= 1.80, r3= 8.40, r4= 8.90,
 igr2=2702,2703,
 &end
#
#  64 THR  HB    171 LYS+ QD      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 993,  -1, r1= 1.30, r2= 1.80, r3= 8.53, r4= 9.03,
 igr2=2705,2706,
 &end
#
#  64 THR  QG2    65 LEU  HN      6.10                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1003, r1= 1.30, r2= 1.80, r3= 7.33, r4= 7.83,
 igr1= 995, 996, 997,
 &end
#
#  64 THR  QG2   171 LYS+ HN      7.30                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2695, r1= 1.30, r2= 1.80, r3= 8.77, r4= 9.27,
 igr1= 995, 996, 997,
 &end
#
#  64 THR  QG2   173 SER  HN      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2739, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr1= 995, 996, 997,
 &end
#
#  65 LEU  HN     65 LEU  HB2     4.10                
 &rst
  ixpk= 0, nxpk= 0, iat=1003,1007, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,  &end
#
#  65 LEU  HN     65 LEU  HB3     4.10                
 &rst
  ixpk= 0, nxpk= 0, iat=1003,1008, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,  &end
#
#  65 LEU  HN     65 LEU  QB      3.85                
 &rst
  ixpk= 0, nxpk= 0, iat=1003,  -1, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82,
 igr2=1007,1008,
 &end
#
#  65 LEU  HN     65 LEU  QD1     6.30                
 &rst
  ixpk= 0, nxpk= 0, iat=1003,  -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr2=1012,1013,1014,
 &end
#
#  65 LEU  HN     65 LEU  QD2     6.30                
 &rst
  ixpk= 0, nxpk= 0, iat=1003,  -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr2=1016,1017,1018,
 &end
#
#  65 LEU  HN     65 LEU  QQD     5.75                
 &rst
  ixpk= 0, nxpk= 0, iat=1003,  -1, r1= 1.30, r2= 1.80, r3= 7.75, r4= 8.25,
 igr2=1016,1017,1018,1012,1013,1014,
 &end
#
#  65 LEU  HN     66 PRO  HD2     5.20                
 &rst
  ixpk= 0, nxpk= 0, iat=1003,1023, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,  &end
#
#  65 LEU  HN     66 PRO  HD3     5.20                
 &rst
  ixpk= 0, nxpk= 0, iat=1003,1024, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,  &end
#
#  65 LEU  HN     66 PRO  QD      4.64                
 &rst
  ixpk= 0, nxpk= 0, iat=1003,  -1, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71,
 igr2=1023,1024,
 &end
#
#  65 LEU  HA     65 LEU  QD1     7.10                
 &rst
  ixpk= 0, nxpk= 0, iat=1005,  -1, r1= 1.30, r2= 1.80, r3= 8.53, r4= 9.03,
 igr2=1012,1013,1014,
 &end
#
#  65 LEU  HA     65 LEU  QD2     7.10                
 &rst
  ixpk= 0, nxpk= 0, iat=1005,  -1, r1= 1.30, r2= 1.80, r3= 8.53, r4= 9.03,
 igr2=1016,1017,1018,
 &end
#
#  65 LEU  HB2    66 PRO  HD2     8.15                
 &rst
  ixpk= 0, nxpk= 0, iat=1007,1023, r1= 1.30, r2= 1.80, r3= 8.15, r4= 8.65,  &end
#
#  65 LEU  HB2    66 PRO  HD3     8.15                
 &rst
  ixpk= 0, nxpk= 0, iat=1007,1024, r1= 1.30, r2= 1.80, r3= 8.15, r4= 8.65,  &end
#
#  65 LEU  HB3    66 PRO  HD2     8.15                
 &rst
  ixpk= 0, nxpk= 0, iat=1008,1023, r1= 1.30, r2= 1.80, r3= 8.15, r4= 8.65,  &end
#
#  65 LEU  HB3    66 PRO  HD3     8.15                
 &rst
  ixpk= 0, nxpk= 0, iat=1008,1024, r1= 1.30, r2= 1.80, r3= 8.15, r4= 8.65,  &end
#
#  65 LEU  QB     66 PRO  QD      7.07                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.91, r4= 9.41,
 igr1=1007,1008,
 igr2=1023,1024,
 &end
#
#  65 LEU  QD1    66 PRO  HB2     9.34                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1029, r1= 1.30, r2= 1.80, r3=11.22, r4=11.72,
 igr1=1012,1013,1014,
 &end
#
#  65 LEU  QD1    66 PRO  HB3     9.34                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1030, r1= 1.30, r2= 1.80, r3=11.22, r4=11.72,
 igr1=1012,1013,1014,
 &end
#
#  65 LEU  QD1    66 PRO  HD2    10.74                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1023, r1= 1.30, r2= 1.80, r3=12.90, r4=13.40,
 igr1=1012,1013,1014,
 &end
#
#  65 LEU  QD1    66 PRO  HD3    10.74                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1024, r1= 1.30, r2= 1.80, r3=12.90, r4=13.40,
 igr1=1012,1013,1014,
 &end
#
#  65 LEU  QD1   163 ALA  HA      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2556, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr1=1012,1013,1014,
 &end
#
#  65 LEU  QD1   163 ALA  QB      7.80                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=11.25, r4=11.75,
 igr1=1012,1013,1014,
 igr2=2558,2559,2560,
 &end
#
#  65 LEU  QD1   171 LYS+ HN      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2695, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr1=1012,1013,1014,
 &end
#
#  65 LEU  QD2    66 PRO  HB2     9.34                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1029, r1= 1.30, r2= 1.80, r3=11.22, r4=11.72,
 igr1=1016,1017,1018,
 &end
#
#  65 LEU  QD2    66 PRO  HB3     9.34                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1030, r1= 1.30, r2= 1.80, r3=11.22, r4=11.72,
 igr1=1016,1017,1018,
 &end
#
#  65 LEU  QD2    66 PRO  HD2    10.74                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1023, r1= 1.30, r2= 1.80, r3=12.90, r4=13.40,
 igr1=1016,1017,1018,
 &end
#
#  65 LEU  QD2    66 PRO  HD3    10.74                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1024, r1= 1.30, r2= 1.80, r3=12.90, r4=13.40,
 igr1=1016,1017,1018,
 &end
#
#  65 LEU  QD2   163 ALA  HA      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2556, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr1=1016,1017,1018,
 &end
#
#  65 LEU  QD2   163 ALA  QB      7.80                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=11.25, r4=11.75,
 igr1=1016,1017,1018,
 igr2=2558,2559,2560,
 &end
#
#  65 LEU  QD2   171 LYS+ HN      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2695, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr1=1016,1017,1018,
 &end
#
#  65 LEU  QQD    66 PRO  HA      9.17                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1032, r1= 1.30, r2= 1.80, r3=12.36, r4=12.86,
 igr1=1016,1017,1018,1012,1013,1014,
 &end
#
#  65 LEU  QQD    66 PRO  QB      7.55                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=11.42, r4=11.92,
 igr1=1016,1017,1018,1012,1013,1014,
 igr2=1029,1030,
 &end
#
#  65 LEU  QQD    66 PRO  QD      9.13                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=13.81, r4=14.31,
 igr1=1016,1017,1018,1012,1013,1014,
 igr2=1023,1024,
 &end
#
#  65 LEU  QQD   163 ALA  QB      7.24                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=11.72, r4=12.22,
 igr1=1016,1017,1018,1012,1013,1014,
 igr2=2558,2559,2560,
 &end
#
#  66 PRO  HA     67 ASP- HN      3.50                
 &rst
  ixpk= 0, nxpk= 0, iat=1032,1036, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  66 PRO  HB2    67 ASP- HN      4.10                
 &rst
  ixpk= 0, nxpk= 0, iat=1029,1036, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,  &end
#
#  66 PRO  HB3    67 ASP- HN      4.10                
 &rst
  ixpk= 0, nxpk= 0, iat=1030,1036, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,  &end
#
#  66 PRO  QB     67 ASP- HN      3.85                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1036, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82,
 igr1=1029,1030,
 &end
#
#  66 PRO  HD2    67 ASP- HN      5.70                
 &rst
  ixpk= 0, nxpk= 0, iat=1023,1036, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,  &end
#
#  66 PRO  HD3    67 ASP- HN      5.70                
 &rst
  ixpk= 0, nxpk= 0, iat=1024,1036, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,  &end
#
#  66 PRO  QD     67 ASP- HN      5.43                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1036, r1= 1.30, r2= 1.80, r3= 6.09, r4= 6.59,
 igr1=1023,1024,
 &end
#
#  67 ASP- HN     68 LEU  HN      4.80                
 &rst
  ixpk= 0, nxpk= 0, iat=1036,1048, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,  &end
#
#  67 ASP- HB2    68 LEU  HN      4.10                
 &rst
  ixpk= 0, nxpk= 0, iat=1040,1048, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,  &end
#
#  67 ASP- HB3    68 LEU  HN      4.10                
 &rst
  ixpk= 0, nxpk= 0, iat=1041,1048, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,  &end
#
#  68 LEU  HN     68 LEU  HG      5.70                
 &rst
  ixpk= 0, nxpk= 0, iat=1048,1055, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,  &end
#
#  68 LEU  HN     68 LEU  QD1     5.90                
 &rst
  ixpk= 0, nxpk= 0, iat=1048,  -1, r1= 1.30, r2= 1.80, r3= 7.09, r4= 7.59,
 igr2=1057,1058,1059,
 &end
#
#  68 LEU  HN     68 LEU  QD2     5.90                
 &rst
  ixpk= 0, nxpk= 0, iat=1048,  -1, r1= 1.30, r2= 1.80, r3= 7.09, r4= 7.59,
 igr2=1061,1062,1063,
 &end
#
#  68 LEU  HN     68 LEU  QQD     5.24                
 &rst
  ixpk= 0, nxpk= 0, iat=1048,  -1, r1= 1.30, r2= 1.80, r3= 7.06, r4= 7.56,
 igr2=1061,1062,1063,1057,1058,1059,
 &end
#
#  68 LEU  HN     69 THR  HN      5.50                
 &rst
  ixpk= 0, nxpk= 0, iat=1048,1067, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  68 LEU  HN     69 THR  HB      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat=1048,1071, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  68 LEU  HA     68 LEU  QD1     5.40                
 &rst
  ixpk= 0, nxpk= 0, iat=1050,  -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
 igr2=1057,1058,1059,
 &end
#
#  68 LEU  HA     68 LEU  QD2     5.40                
 &rst
  ixpk= 0, nxpk= 0, iat=1050,  -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
 igr2=1061,1062,1063,
 &end
#
#  68 LEU  HB2    69 THR  HN      4.80                
 &rst
  ixpk= 0, nxpk= 0, iat=1052,1067, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,  &end
#
#  68 LEU  HB3    69 THR  HN      4.80                
 &rst
  ixpk= 0, nxpk= 0, iat=1053,1067, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,  &end
#
#  68 LEU  QB     70 PRO  QD      8.48                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.68, r4=11.18,
 igr1=1052,1053,
 igr2=1082,1083,
 &end
#
#  68 LEU  QD1    69 THR  HN      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1067, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr1=1057,1058,1059,
 &end
#
#  68 LEU  QD2    69 THR  HN      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1067, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr1=1061,1062,1063,
 &end
#
#  68 LEU  QQD    69 THR  HN      6.58                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1067, r1= 1.30, r2= 1.80, r3= 8.87, r4= 9.37,
 igr1=1061,1062,1063,1057,1058,1059,
 &end
#
#  68 LEU  QQD    70 PRO  QD     10.17                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=15.39, r4=15.89,
 igr1=1061,1062,1063,1057,1058,1059,
 igr2=1082,1083,
 &end
#
#  69 THR  HN     69 THR  HG1     6.60                
 &rst
  ixpk= 0, nxpk= 0, iat=1067,1077, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  69 THR  HN     70 PRO  QB      7.03                
 &rst
  ixpk= 0, nxpk= 0, iat=1067,  -1, r1= 1.30, r2= 1.80, r3= 7.89, r4= 8.39,
 igr2=1088,1089,
 &end
#
#  69 THR  HN     70 PRO  QD      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=1067,  -1, r1= 1.30, r2= 1.80, r3= 8.53, r4= 9.03,
 igr2=1082,1083,
 &end
#
#  69 THR  QG2    71 LEU  HN      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1095, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr1=1073,1074,1075,
 &end
#
#  69 THR  QG2    71 LEU  HA      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1097, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr1=1073,1074,1075,
 &end
#
#  69 THR  QG2    71 LEU  QD1     8.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=12.40, r4=12.90,
 igr1=1073,1074,1075,
 igr2=1104,1105,1106,
 &end
#
#  69 THR  QG2    71 LEU  QD2     8.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=12.40, r4=12.90,
 igr1=1073,1074,1075,
 igr2=1108,1109,1110,
 &end
#
#  69 THR  QG2    96 LEU  HA      6.20                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1507, r1= 1.30, r2= 1.80, r3= 7.45, r4= 7.95,
 igr1=1073,1074,1075,
 &end
#
#  69 THR  QG2    97 VAL  HB      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1528, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr1=1073,1074,1075,
 &end
#
#  70 PRO  HA     71 LEU  QQD     9.17                
 &rst
  ixpk= 0, nxpk= 0, iat=1091,  -1, r1= 1.30, r2= 1.80, r3=12.36, r4=12.86,
 igr2=1108,1109,1110,1104,1105,1106,
 &end
#
#  70 PRO  HA     96 LEU  QQD     9.17                
 &rst
  ixpk= 0, nxpk= 0, iat=1091,  -1, r1= 1.30, r2= 1.80, r3=12.36, r4=12.86,
 igr2=1518,1519,1520,1514,1515,1516,
 &end
#
#  70 PRO  HB2    71 LEU  HN      4.50                
 &rst
  ixpk= 0, nxpk= 0, iat=1088,1095, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  70 PRO  HB2    97 VAL  HN      5.70                
 &rst
  ixpk= 0, nxpk= 0, iat=1088,1524, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,  &end
#
#  70 PRO  HB3    71 LEU  HN      4.50                
 &rst
  ixpk= 0, nxpk= 0, iat=1089,1095, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  70 PRO  HB3    97 VAL  HN      5.70                
 &rst
  ixpk= 0, nxpk= 0, iat=1089,1524, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,  &end
#
#  70 PRO  QB     71 LEU  HN      4.21                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1095, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,
 igr1=1088,1089,
 &end
#
#  70 PRO  QB     96 LEU  HN      6.78                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1505, r1= 1.30, r2= 1.80, r3= 7.61, r4= 8.11,
 igr1=1088,1089,
 &end
#
#  70 PRO  QB     97 VAL  HN      5.24                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1524, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
 igr1=1088,1089,
 &end
#
#  70 PRO  QG     96 LEU  HA      6.28                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1507, r1= 1.30, r2= 1.80, r3= 7.05, r4= 7.55,
 igr1=1085,1086,
 &end
#
#  71 LEU  HN     71 LEU  HG      5.00                
 &rst
  ixpk= 0, nxpk= 0, iat=1095,1102, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  71 LEU  HN     71 LEU  QD1     6.50                
 &rst
  ixpk= 0, nxpk= 0, iat=1095,  -1, r1= 1.30, r2= 1.80, r3= 7.81, r4= 8.31,
 igr2=1104,1105,1106,
 &end
#
#  71 LEU  HN     71 LEU  QD2     6.50                
 &rst
  ixpk= 0, nxpk= 0, iat=1095,  -1, r1= 1.30, r2= 1.80, r3= 7.81, r4= 8.31,
 igr2=1108,1109,1110,
 &end
#
#  71 LEU  HN     71 LEU  QQD     5.86                
 &rst
  ixpk= 0, nxpk= 0, iat=1095,  -1, r1= 1.30, r2= 1.80, r3= 7.90, r4= 8.40,
 igr2=1108,1109,1110,1104,1105,1106,
 &end
#
#  71 LEU  HN     96 LEU  QQD     8.57                
 &rst
  ixpk= 0, nxpk= 0, iat=1095,  -1, r1= 1.30, r2= 1.80, r3=11.55, r4=12.05,
 igr2=1518,1519,1520,1514,1515,1516,
 &end
#
#  71 LEU  HA     71 LEU  QD1     7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=1097,  -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr2=1104,1105,1106,
 &end
#
#  71 LEU  HA     71 LEU  QD2     7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=1097,  -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr2=1108,1109,1110,
 &end
#
#  71 LEU  HA     97 VAL  HN      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat=1097,1524, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  71 LEU  HA     97 VAL  HB      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat=1097,1528, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  71 LEU  HA     97 VAL  QQG     9.16                
 &rst
  ixpk= 0, nxpk= 0, iat=1097,  -1, r1= 1.30, r2= 1.80, r3=12.35, r4=12.85,
 igr2=1530,1531,1532,1534,1535,1536,
 &end
#
#  71 LEU  HB2    72 PHE  HN      4.50                
 &rst
  ixpk= 0, nxpk= 0, iat=1099,1114, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  71 LEU  HB3    72 PHE  HN      4.50                
 &rst
  ixpk= 0, nxpk= 0, iat=1100,1114, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  71 LEU  QB     72 PHE  HN      4.26                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1114, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28,
 igr1=1099,1100,
 &end
#
#  71 LEU  QB     73 ILE  QD1     8.48                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=11.43, r4=11.93,
 igr1=1099,1100,
 igr2=1147,1148,1149,
 &end
#
#  71 LEU  QB     97 VAL  HN      7.48                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1524, r1= 1.30, r2= 1.80, r3= 8.40, r4= 8.90,
 igr1=1099,1100,
 &end
#
#  71 LEU  QB     99 LEU  HN      7.48                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1547, r1= 1.30, r2= 1.80, r3= 8.40, r4= 8.90,
 igr1=1099,1100,
 &end
#
#  71 LEU  HG     72 PHE  HN      5.20                
 &rst
  ixpk= 0, nxpk= 0, iat=1102,1114, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,  &end
#
#  71 LEU  HG     97 VAL  HN      5.40                
 &rst
  ixpk= 0, nxpk= 0, iat=1102,1524, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,  &end
#
#  71 LEU  QD1    72 PHE  HN      7.50                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1114, r1= 1.30, r2= 1.80, r3= 9.01, r4= 9.51,
 igr1=1104,1105,1106,
 &end
#
#  71 LEU  QD1    97 VAL  HB      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1528, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr1=1104,1105,1106,
 &end
#
#  71 LEU  QD2    72 PHE  HN      7.50                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1114, r1= 1.30, r2= 1.80, r3= 9.01, r4= 9.51,
 igr1=1108,1109,1110,
 &end
#
#  71 LEU  QD2    97 VAL  HB      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1528, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr1=1108,1109,1110,
 &end
#
#  71 LEU  QQD    72 PHE  HN      6.75                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1114, r1= 1.30, r2= 1.80, r3= 9.10, r4= 9.60,
 igr1=1108,1109,1110,1104,1105,1106,
 &end
#
#  71 LEU  QQD    72 PHE  HA      9.17                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1116, r1= 1.30, r2= 1.80, r3=12.36, r4=12.86,
 igr1=1108,1109,1110,1104,1105,1106,
 &end
#
#  71 LEU  QQD    73 ILE  QD1     5.97                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.66, r4=10.16,
 igr1=1108,1109,1110,1104,1105,1106,
 igr2=1147,1148,1149,
 &end
#
#  71 LEU  QQD    97 VAL  HN      8.87                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1524, r1= 1.30, r2= 1.80, r3=11.96, r4=12.46,
 igr1=1108,1109,1110,1104,1105,1106,
 &end
#
#  71 LEU  QQD    97 VAL  HB      6.28                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1528, r1= 1.30, r2= 1.80, r3= 8.47, r4= 8.97,
 igr1=1108,1109,1110,1104,1105,1106,
 &end
#
#  71 LEU  QQD    97 VAL  QQG    11.23                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=20.41, r4=20.91,
 igr1=1108,1109,1110,1104,1105,1106,
 igr2=1530,1531,1532,1534,1535,1536,
 &end
#
#  71 LEU  QQD    98 GLY  HN      9.17                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1540, r1= 1.30, r2= 1.80, r3=12.36, r4=12.86,
 igr1=1108,1109,1110,1104,1105,1106,
 &end
#
#  71 LEU  QQD    99 LEU  QQD     7.54                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=13.70, r4=14.20,
 igr1=1108,1109,1110,1104,1105,1106,
 igr2=1560,1561,1562,1556,1557,1558,
 &end
#
#  72 PHE  HN     72 PHE  QE      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=1114,  -1, r1= 1.30, r2= 1.80, r3= 8.53, r4= 9.03,
 igr2=1124,1128,
 &end
#
#  72 PHE  HN     73 ILE  HN      5.90                
 &rst
  ixpk= 0, nxpk= 0, iat=1114,1134, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,  &end
#
#  72 PHE  HN     73 ILE  QD1     7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=1114,  -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr2=1147,1148,1149,
 &end
#
#  72 PHE  HN     97 VAL  HN      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat=1114,1524, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  72 PHE  HN     97 VAL  HB      6.40                
 &rst
  ixpk= 0, nxpk= 0, iat=1114,1528, r1= 1.30, r2= 1.80, r3= 6.40, r4= 6.90,  &end
#
#  72 PHE  HN     97 VAL  QQG     8.46                
 &rst
  ixpk= 0, nxpk= 0, iat=1114,  -1, r1= 1.30, r2= 1.80, r3=11.40, r4=11.90,
 igr2=1530,1531,1532,1534,1535,1536,
 &end
#
#  72 PHE  HN     98 GLY  HA2     6.60                
 &rst
  ixpk= 0, nxpk= 0, iat=1114,1542, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  72 PHE  HN     98 GLY  HA3     6.60                
 &rst
  ixpk= 0, nxpk= 0, iat=1114,1543, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  72 PHE  HN     98 GLY  QA      6.20                
 &rst
  ixpk= 0, nxpk= 0, iat=1114,  -1, r1= 1.30, r2= 1.80, r3= 6.96, r4= 7.46,
 igr2=1542,1543,
 &end
#
#  72 PHE  HN     99 LEU  HN      6.30                
 &rst
  ixpk= 0, nxpk= 0, iat=1114,1547, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,  &end
#
#  72 PHE  HA     73 ILE  HB      6.10                
 &rst
  ixpk= 0, nxpk= 0, iat=1116,1138, r1= 1.30, r2= 1.80, r3= 6.10, r4= 6.60,  &end
#
#  72 PHE  HA     73 ILE  QG2     7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=1116,  -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr2=1140,1141,1142,
 &end
#
#  72 PHE  HA     73 ILE  QD1     7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=1116,  -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr2=1147,1148,1149,
 &end
#
#  72 PHE  HA     96 LEU  QQD     9.17                
 &rst
  ixpk= 0, nxpk= 0, iat=1116,  -1, r1= 1.30, r2= 1.80, r3=12.36, r4=12.86,
 igr2=1518,1519,1520,1514,1515,1516,
 &end
#
#  72 PHE  HB2    73 ILE  HN      6.40                
 &rst
  ixpk= 0, nxpk= 0, iat=1118,1134, r1= 1.30, r2= 1.80, r3= 6.40, r4= 6.90,  &end
#
#  72 PHE  HB3    73 ILE  HN      6.40                
 &rst
  ixpk= 0, nxpk= 0, iat=1119,1134, r1= 1.30, r2= 1.80, r3= 6.40, r4= 6.90,  &end
#
#  72 PHE  QB     97 VAL  HN      7.48                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1524, r1= 1.30, r2= 1.80, r3= 8.40, r4= 8.90,
 igr1=1118,1119,
 &end
#
#  72 PHE  QB     98 GLY  QA      8.35                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.52, r4=11.02,
 igr1=1118,1119,
 igr2=1542,1543,
 &end
#
#  72 PHE  QD     73 ILE  HN      8.50                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1134, r1= 1.30, r2= 1.80, r3= 9.54, r4=10.04,
 igr1=1122,1130,
 &end
#
#  72 PHE  QD     85 ILE  QG2     9.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=12.94, r4=13.44,
 igr1=1122,1130,
 igr2=1327,1328,1329,
 &end
#
#  72 PHE  QD     85 ILE  QD1     9.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=12.94, r4=13.44,
 igr1=1122,1130,
 igr2=1334,1335,1336,
 &end
#
#  72 PHE  QD     88 TYR  QE     10.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=13.36, r4=13.86,
 igr1=1122,1130,
 igr2=1374,1379,
 &end
#
#  72 PHE  QD     89 VAL  HN      7.90                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1385, r1= 1.30, r2= 1.80, r3= 8.87, r4= 9.37,
 igr1=1122,1130,
 &end
#
#  72 PHE  QD     96 LEU  QD1     9.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=12.94, r4=13.44,
 igr1=1122,1130,
 igr2=1514,1515,1516,
 &end
#
#  72 PHE  QD     96 LEU  QD2     9.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=12.94, r4=13.44,
 igr1=1122,1130,
 igr2=1518,1519,1520,
 &end
#
#  72 PHE  QD     98 GLY  HN      8.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1540, r1= 1.30, r2= 1.80, r3= 9.65, r4=10.15,
 igr1=1122,1130,
 &end
#
#  72 PHE  QD     98 GLY  HA2     8.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1542, r1= 1.30, r2= 1.80, r3= 9.65, r4=10.15,
 igr1=1122,1130,
 &end
#
#  72 PHE  QD     98 GLY  HA3     8.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1543, r1= 1.30, r2= 1.80, r3= 9.65, r4=10.15,
 igr1=1122,1130,
 &end
#
#  72 PHE  QD     99 LEU  HN      8.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1547, r1= 1.30, r2= 1.80, r3= 9.65, r4=10.15,
 igr1=1122,1130,
 &end
#
#  72 PHE  QE     73 ILE  HN      8.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1134, r1= 1.30, r2= 1.80, r3= 9.65, r4=10.15,
 igr1=1124,1128,
 &end
#
#  72 PHE  QE     85 ILE  QG2     9.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=12.94, r4=13.44,
 igr1=1124,1128,
 igr2=1327,1328,1329,
 &end
#
#  72 PHE  QE     85 ILE  QD1     9.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=12.94, r4=13.44,
 igr1=1124,1128,
 igr2=1334,1335,1336,
 &end
#
#  72 PHE  QE     97 VAL  HN      8.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1524, r1= 1.30, r2= 1.80, r3= 9.65, r4=10.15,
 igr1=1124,1128,
 &end
#
#  73 ILE  HN     73 ILE  QG1     7.40                
 &rst
  ixpk= 0, nxpk= 0, iat=1134,  -1, r1= 1.30, r2= 1.80, r3= 8.31, r4= 8.81,
 igr2=1144,1145,
 &end
#
#  73 ILE  HN     73 ILE  QD1     6.40                
 &rst
  ixpk= 0, nxpk= 0, iat=1134,  -1, r1= 1.30, r2= 1.80, r3= 7.69, r4= 8.19,
 igr2=1147,1148,1149,
 &end
#
#  73 ILE  HA     74 SER  HN      3.60                
 &rst
  ixpk= 0, nxpk= 0, iat=1136,1153, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,  &end
#
#  73 ILE  HA     99 LEU  HN      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat=1136,1547, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  73 ILE  HA     99 LEU  HB2     5.40                
 &rst
  ixpk= 0, nxpk= 0, iat=1136,1551, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,  &end
#
#  73 ILE  HA     99 LEU  HB3     5.40                
 &rst
  ixpk= 0, nxpk= 0, iat=1136,1552, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,  &end
#
#  73 ILE  HA     99 LEU  QD1     7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=1136,  -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr2=1556,1557,1558,
 &end
#
#  73 ILE  HA     99 LEU  QD2     7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=1136,  -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr2=1560,1561,1562,
 &end
#
#  73 ILE  HB     74 SER  HN      5.50                
 &rst
  ixpk= 0, nxpk= 0, iat=1138,1153, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  73 ILE  HB    109 VAL  QQG     9.16                
 &rst
  ixpk= 0, nxpk= 0, iat=1138,  -1, r1= 1.30, r2= 1.80, r3=12.35, r4=12.85,
 igr2=1706,1707,1708,1710,1711,1712,
 &end
#
#  73 ILE  QG2    74 SER  HN      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1153, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr1=1140,1141,1142,
 &end
#
#  73 ILE  QG2    99 LEU  HN      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1547, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr1=1140,1141,1142,
 &end
#
#  73 ILE  QG2    99 LEU  HB2     7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1551, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr1=1140,1141,1142,
 &end
#
#  73 ILE  QG2    99 LEU  HB3     7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1552, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr1=1140,1141,1142,
 &end
#
#  73 ILE  QG2    99 LEU  QQD    10.17                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=16.46, r4=16.96,
 igr1=1140,1141,1142,
 igr2=1560,1561,1562,1556,1557,1558,
 &end
#
#  73 ILE  QG2   106 VAL  HA      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1657, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr1=1140,1141,1142,
 &end
#
#  73 ILE  QG2   106 VAL  QQG    10.16                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=16.45, r4=16.95,
 igr1=1140,1141,1142,
 igr2=1661,1662,1663,1665,1666,1667,
 &end
#
#  73 ILE  QG2   109 VAL  HN      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1700, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr1=1140,1141,1142,
 &end
#
#  73 ILE  QG2   109 VAL  QQG    10.16                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=16.45, r4=16.95,
 igr1=1140,1141,1142,
 igr2=1706,1707,1708,1710,1711,1712,
 &end
#
#  73 ILE  QG1    74 SER  HN      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1153, r1= 1.30, r2= 1.80, r3= 8.53, r4= 9.03,
 igr1=1144,1145,
 &end
#
#  73 ILE  QG1    99 LEU  HN      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1547, r1= 1.30, r2= 1.80, r3= 8.53, r4= 9.03,
 igr1=1144,1145,
 &end
#
#  73 ILE  QD1    74 SER  HN      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1153, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr1=1147,1148,1149,
 &end
#
#  73 ILE  QD1    99 LEU  HN      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1547, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr1=1147,1148,1149,
 &end
#
#  73 ILE  QD1    99 LEU  HB2     7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1551, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr1=1147,1148,1149,
 &end
#
#  73 ILE  QD1    99 LEU  HB3     7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1552, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr1=1147,1148,1149,
 &end
#
#  73 ILE  QD1    99 LEU  QQD     5.97                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.66, r4=10.16,
 igr1=1147,1148,1149,
 igr2=1560,1561,1562,1556,1557,1558,
 &end
#
#  73 ILE  QD1   100 THR  HN      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1566, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr1=1147,1148,1149,
 &end
#
#  73 ILE  QD1   109 VAL  HN      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1700, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr1=1147,1148,1149,
 &end
#
#  73 ILE  QD1   109 VAL  QG1     8.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=12.40, r4=12.90,
 igr1=1147,1148,1149,
 igr2=1706,1707,1708,
 &end
#
#  73 ILE  QD1   109 VAL  QG2     8.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=12.40, r4=12.90,
 igr1=1147,1148,1149,
 igr2=1710,1711,1712,
 &end
#
#  73 ILE  QD1   113 TYR  QE      9.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=12.94, r4=13.44,
 igr1=1147,1148,1149,
 igr2=1770,1775,
 &end
#
#  74 SER  HN     99 LEU  HN      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat=1153,1547, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  74 SER  HN     99 LEU  HB2     4.10                
 &rst
  ixpk= 0, nxpk= 0, iat=1153,1551, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,  &end
#
#  74 SER  HN     99 LEU  HB3     4.10                
 &rst
  ixpk= 0, nxpk= 0, iat=1153,1552, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,  &end
#
#  74 SER  HN     99 LEU  QB      3.90                
 &rst
  ixpk= 0, nxpk= 0, iat=1153,  -1, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,
 igr2=1551,1552,
 &end
#
#  74 SER  HN    100 THR  QG2     7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=1153,  -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr2=1572,1573,1574,
 &end
#
#  74 SER  HA     76 ASP- HN      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat=1155,1183, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  74 SER  HB2    75 ILE  HN      6.10                
 &rst
  ixpk= 0, nxpk= 0, iat=1157,1164, r1= 1.30, r2= 1.80, r3= 6.10, r4= 6.60,  &end
#
#  74 SER  HB2    76 ASP- HN      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat=1157,1183, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  74 SER  HB2    85 ILE  QG1     7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=1157,  -1, r1= 1.30, r2= 1.80, r3= 8.53, r4= 9.03,
 igr2=1331,1332,
 &end
#
#  74 SER  HB2    85 ILE  QD1     7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=1157,  -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr2=1334,1335,1336,
 &end
#
#  74 SER  HB3    75 ILE  HN      6.10                
 &rst
  ixpk= 0, nxpk= 0, iat=1158,1164, r1= 1.30, r2= 1.80, r3= 6.10, r4= 6.60,  &end
#
#  74 SER  HB3    76 ASP- HN      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat=1158,1183, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  74 SER  HB3    85 ILE  QG1     7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=1158,  -1, r1= 1.30, r2= 1.80, r3= 8.53, r4= 9.03,
 igr2=1331,1332,
 &end
#
#  74 SER  HB3    85 ILE  QD1     7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=1158,  -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr2=1334,1335,1336,
 &end
#
#  74 SER  QB    100 THR  HA      7.48                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1568, r1= 1.30, r2= 1.80, r3= 8.40, r4= 8.90,
 igr1=1157,1158,
 &end
#
#  74 SER  QB    101 GLY  HN      7.48                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1580, r1= 1.30, r2= 1.80, r3= 8.40, r4= 8.90,
 igr1=1157,1158,
 &end
#
#  75 ILE  HN     75 ILE  HG12    6.40                
 &rst
  ixpk= 0, nxpk= 0, iat=1164,1174, r1= 1.30, r2= 1.80, r3= 6.40, r4= 6.90,  &end
#
#  75 ILE  HN     75 ILE  HG13    6.40                
 &rst
  ixpk= 0, nxpk= 0, iat=1164,1175, r1= 1.30, r2= 1.80, r3= 6.40, r4= 6.90,  &end
#
#  75 ILE  HN     75 ILE  QG1     6.00                
 &rst
  ixpk= 0, nxpk= 0, iat=1164,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2=1174,1175,
 &end
#
#  75 ILE  HN     75 ILE  QD1     6.40                
 &rst
  ixpk= 0, nxpk= 0, iat=1164,  -1, r1= 1.30, r2= 1.80, r3= 7.69, r4= 8.19,
 igr2=1177,1178,1179,
 &end
#
#  75 ILE  HN     76 ASP- HN      6.30                
 &rst
  ixpk= 0, nxpk= 0, iat=1164,1183, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,  &end
#
#  75 ILE  HN     76 ASP- HA      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat=1164,1185, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  75 ILE  HA    106 VAL  QQG     9.16                
 &rst
  ixpk= 0, nxpk= 0, iat=1166,  -1, r1= 1.30, r2= 1.80, r3=12.35, r4=12.85,
 igr2=1661,1662,1663,1665,1666,1667,
 &end
#
#  75 ILE  QG2    76 ASP- HN      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1183, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr1=1170,1171,1172,
 &end
#
#  75 ILE  QG2   106 VAL  QQG     9.96                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=16.12, r4=16.62,
 igr1=1170,1171,1172,
 igr2=1661,1662,1663,1665,1666,1667,
 &end
#
#  75 ILE  QG2   107 ASP- HN      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1671, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr1=1170,1171,1172,
 &end
#
#  75 ILE  QG2   109 VAL  HN      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1700, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr1=1170,1171,1172,
 &end
#
#  75 ILE  QG2   110 ALA  HA      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1718, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr1=1170,1171,1172,
 &end
#
#  75 ILE  QG2   110 ALA  QB      8.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=12.40, r4=12.90,
 igr1=1170,1171,1172,
 igr2=1720,1721,1722,
 &end
#
#  75 ILE  QG2   115 VAL  QQG    10.16                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=16.45, r4=16.95,
 igr1=1170,1171,1172,
 igr2=1811,1812,1813,1815,1816,1817,
 &end
#
#  75 ILE  QG2   117 TYR  QD      9.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=12.94, r4=13.44,
 igr1=1170,1171,1172,
 igr2=1850,1859,
 &end
#
#  75 ILE  QG2   117 TYR  QE      9.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=12.94, r4=13.44,
 igr1=1170,1171,1172,
 igr2=1852,1857,
 &end
#
#  75 ILE  HG12   76 ASP- HN      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat=1174,1183, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  75 ILE  HG13   76 ASP- HN      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat=1175,1183, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  75 ILE  QD1    76 ASP- HN      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1183, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr1=1177,1178,1179,
 &end
#
#  75 ILE  QD1   117 TYR  QD      9.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=12.94, r4=13.44,
 igr1=1177,1178,1179,
 igr2=1850,1859,
 &end
#
#  75 ILE  QD1   117 TYR  QE      9.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=12.94, r4=13.44,
 igr1=1177,1178,1179,
 igr2=1852,1857,
 &end
#
#  75 ILE  QD1   118 SER  HN      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1863, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr1=1177,1178,1179,
 &end
#
#  75 ILE  QD1   130 VAL  HB      6.30                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2041, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1=1177,1178,1179,
 &end
#
#  75 ILE  QD1   130 VAL  QQG     9.46                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=15.31, r4=15.81,
 igr1=1177,1178,1179,
 igr2=2043,2044,2045,2047,2048,2049,
 &end
#
#  75 ILE  QD1   132 HIS  HA      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2067, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr1=1177,1178,1179,
 &end
#
#  76 ASP- HN     77 PRO  HA      5.60                
 &rst
  ixpk= 0, nxpk= 0, iat=1183,1205, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,  &end
#
#  76 ASP- HN     78 GLU- HN      5.90                
 &rst
  ixpk= 0, nxpk= 0, iat=1183,1209, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,  &end
#
#  76 ASP- HN     79 ARG+ QD      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=1183,  -1, r1= 1.30, r2= 1.80, r3= 8.53, r4= 9.03,
 igr2=1234,1235,
 &end
#
#  76 ASP- HA     78 GLU- HN      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat=1185,1209, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  76 ASP- HA    130 VAL  HB      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat=1185,2041, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  77 PRO  HA     79 ARG+ HN      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat=1205,1224, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  77 PRO  HA     80 ASP- HN      6.40                
 &rst
  ixpk= 0, nxpk= 0, iat=1205,1248, r1= 1.30, r2= 1.80, r3= 6.40, r4= 6.90,  &end
#
#  77 PRO  HA    101 GLY  HN      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat=1205,1580, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  77 PRO  HA    106 VAL  QQG     9.16                
 &rst
  ixpk= 0, nxpk= 0, iat=1205,  -1, r1= 1.30, r2= 1.80, r3=12.35, r4=12.85,
 igr2=1661,1662,1663,1665,1666,1667,
 &end
#
#  77 PRO  HB2    78 GLU- HN      4.50                
 &rst
  ixpk= 0, nxpk= 0, iat=1202,1209, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  77 PRO  HB2   101 GLY  HN      5.60                
 &rst
  ixpk= 0, nxpk= 0, iat=1202,1580, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,  &end
#
#  77 PRO  HB3    78 GLU- HN      4.50                
 &rst
  ixpk= 0, nxpk= 0, iat=1203,1209, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  77 PRO  HB3   101 GLY  HN      5.60                
 &rst
  ixpk= 0, nxpk= 0, iat=1203,1580, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,  &end
#
#  77 PRO  QB     78 GLU- HN      4.21                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1209, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,
 igr1=1202,1203,
 &end
#
#  77 PRO  QB    101 GLY  HN      5.24                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1580, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
 igr1=1202,1203,
 &end
#
#  77 PRO  QB    102 THR  HA      7.48                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1589, r1= 1.30, r2= 1.80, r3= 8.40, r4= 8.90,
 igr1=1202,1203,
 &end
#
#  77 PRO  QG    101 GLY  HN      6.80                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1580, r1= 1.30, r2= 1.80, r3= 7.63, r4= 8.13,
 igr1=1199,1200,
 &end
#
#  77 PRO  QG    102 THR  HA      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1589, r1= 1.30, r2= 1.80, r3= 8.53, r4= 9.03,
 igr1=1199,1200,
 &end
#
#  77 PRO  QG    106 VAL  QQG    10.16                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=15.37, r4=15.87,
 igr1=1199,1200,
 igr2=1661,1662,1663,1665,1666,1667,
 &end
#
#  77 PRO  HD2    78 GLU- HN      5.70                
 &rst
  ixpk= 0, nxpk= 0, iat=1196,1209, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,  &end
#
#  77 PRO  HD2   106 VAL  QG1    10.72                
 &rst
  ixpk= 0, nxpk= 0, iat=1196,  -1, r1= 1.30, r2= 1.80, r3=12.87, r4=13.37,
 igr2=1661,1662,1663,
 &end
#
#  77 PRO  HD2   106 VAL  QG2    10.72                
 &rst
  ixpk= 0, nxpk= 0, iat=1196,  -1, r1= 1.30, r2= 1.80, r3=12.87, r4=13.37,
 igr2=1665,1666,1667,
 &end
#
#  77 PRO  HD3    78 GLU- HN      5.70                
 &rst
  ixpk= 0, nxpk= 0, iat=1197,1209, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,  &end
#
#  77 PRO  HD3   106 VAL  QG1    10.72                
 &rst
  ixpk= 0, nxpk= 0, iat=1197,  -1, r1= 1.30, r2= 1.80, r3=12.87, r4=13.37,
 igr2=1661,1662,1663,
 &end
#
#  77 PRO  HD3   106 VAL  QG2    10.72                
 &rst
  ixpk= 0, nxpk= 0, iat=1197,  -1, r1= 1.30, r2= 1.80, r3=12.87, r4=13.37,
 igr2=1665,1666,1667,
 &end
#
#  77 PRO  QD    100 THR  HA      7.48                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1568, r1= 1.30, r2= 1.80, r3= 8.40, r4= 8.90,
 igr1=1196,1197,
 &end
#
#  77 PRO  QD    101 GLY  HN      7.48                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1580, r1= 1.30, r2= 1.80, r3= 8.40, r4= 8.90,
 igr1=1196,1197,
 &end
#
#  77 PRO  QD    106 VAL  QQG     9.12                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=13.80, r4=14.30,
 igr1=1196,1197,
 igr2=1661,1662,1663,1665,1666,1667,
 &end
#
#  78 GLU- HN     78 GLU- QB      3.81                
 &rst
  ixpk= 0, nxpk= 0, iat=1209,  -1, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78,
 igr2=1213,1214,
 &end
#
#  78 GLU- HN     78 GLU- HG2     5.30                
 &rst
  ixpk= 0, nxpk= 0, iat=1209,1216, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,  &end
#
#  78 GLU- HN     78 GLU- HG3     5.30                
 &rst
  ixpk= 0, nxpk= 0, iat=1209,1217, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,  &end
#
#  78 GLU- HN     78 GLU- QG      4.75                
 &rst
  ixpk= 0, nxpk= 0, iat=1209,  -1, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83,
 igr2=1216,1217,
 &end
#
#  78 GLU- HN     79 ARG+ HN      4.60                
 &rst
  ixpk= 0, nxpk= 0, iat=1209,1224, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,  &end
#
#  78 GLU- HA     80 ASP- HN      6.50                
 &rst
  ixpk= 0, nxpk= 0, iat=1211,1248, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,  &end
#
#  78 GLU- HB2    79 ARG+ HN      4.70                
 &rst
  ixpk= 0, nxpk= 0, iat=1213,1224, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,  &end
#
#  78 GLU- HB2   128 TYR  QE      8.60                
 &rst
  ixpk= 0, nxpk= 0, iat=1213,  -1, r1= 1.30, r2= 1.80, r3= 9.65, r4=10.15,
 igr2=2007,2012,
 &end
#
#  78 GLU- HB3    79 ARG+ HN      4.70                
 &rst
  ixpk= 0, nxpk= 0, iat=1214,1224, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,  &end
#
#  78 GLU- HB3   128 TYR  QE      8.60                
 &rst
  ixpk= 0, nxpk= 0, iat=1214,  -1, r1= 1.30, r2= 1.80, r3= 9.65, r4=10.15,
 igr2=2007,2012,
 &end
#
#  78 GLU- QB     79 ARG+ HN      4.47                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1224, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52,
 igr1=1213,1214,
 &end
#
#  78 GLU- QB    128 TYR  QD      8.38                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.56, r4=11.06,
 igr1=1213,1214,
 igr2=2005,2014,
 &end
#
#  78 GLU- QG     79 ARG+ HN      5.38                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1224, r1= 1.30, r2= 1.80, r3= 6.04, r4= 6.54,
 igr1=1216,1217,
 &end
#
#  79 ARG+ HN     79 ARG+ HG2     4.80                
 &rst
  ixpk= 0, nxpk= 0, iat=1224,1231, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,  &end
#
#  79 ARG+ HN     79 ARG+ HG3     4.80                
 &rst
  ixpk= 0, nxpk= 0, iat=1224,1232, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,  &end
#
#  79 ARG+ HN     79 ARG+ QD      6.80                
 &rst
  ixpk= 0, nxpk= 0, iat=1224,  -1, r1= 1.30, r2= 1.80, r3= 7.63, r4= 8.13,
 igr2=1234,1235,
 &end
#
#  79 ARG+ HN     80 ASP- HN      4.60                
 &rst
  ixpk= 0, nxpk= 0, iat=1224,1248, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,  &end
#
#  79 ARG+ HA     79 ARG+ QD      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=1226,  -1, r1= 1.30, r2= 1.80, r3= 8.53, r4= 9.03,
 igr2=1234,1235,
 &end
#
#  79 ARG+ HG2    80 ASP- HN      5.50                
 &rst
  ixpk= 0, nxpk= 0, iat=1231,1248, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  79 ARG+ HG3    80 ASP- HN      5.50                
 &rst
  ixpk= 0, nxpk= 0, iat=1232,1248, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  79 ARG+ QG     80 ASP- HN      5.33                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1248, r1= 1.30, r2= 1.80, r3= 5.98, r4= 6.48,
 igr1=1231,1232,
 &end
#
#  79 ARG+ QD     80 ASP- HN      6.00                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1248, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1=1234,1235,
 &end
#
#  79 ARG+ QD     81 THR  HN      6.80                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1260, r1= 1.30, r2= 1.80, r3= 7.63, r4= 8.13,
 igr1=1234,1235,
 &end
#
#  80 ASP- HN     81 THR  HN      5.70                
 &rst
  ixpk= 0, nxpk= 0, iat=1248,1260, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,  &end
#
#  80 ASP- HA     82 LYS+ HN      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat=1250,1274, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  80 ASP- HA     84 ALA  HN      6.40                
 &rst
  ixpk= 0, nxpk= 0, iat=1250,1311, r1= 1.30, r2= 1.80, r3= 6.40, r4= 6.90,  &end
#
#  80 ASP- HA     84 ALA  QB      5.70                
 &rst
  ixpk= 0, nxpk= 0, iat=1250,  -1, r1= 1.30, r2= 1.80, r3= 6.85, r4= 7.35,
 igr2=1315,1316,1317,
 &end
#
#  80 ASP- QB     85 ILE  QG1     8.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.84, r4=11.34,
 igr1=1252,1253,
 igr2=1331,1332,
 &end
#
#  80 ASP- QB     85 ILE  QD1     8.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=11.59, r4=12.09,
 igr1=1252,1253,
 igr2=1334,1335,1336,
 &end
#
#  81 THR  HN     82 LYS+ HN      5.90                
 &rst
  ixpk= 0, nxpk= 0, iat=1260,1274, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,  &end
#
#  81 THR  HN     84 ALA  HA      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat=1260,1313, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  81 THR  HN     84 ALA  QB      3.90                
 &rst
  ixpk= 0, nxpk= 0, iat=1260,  -1, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,
 igr2=1315,1316,1317,
 &end
#
#  81 THR  HA     82 LYS+ HB2     6.60                
 &rst
  ixpk= 0, nxpk= 0, iat=1262,1278, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  81 THR  HA     82 LYS+ HB3     6.60                
 &rst
  ixpk= 0, nxpk= 0, iat=1262,1279, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  81 THR  HA     82 LYS+ QB      6.44                
 &rst
  ixpk= 0, nxpk= 0, iat=1262,  -1, r1= 1.30, r2= 1.80, r3= 7.23, r4= 7.73,
 igr2=1278,1279,
 &end
#
#  81 THR  HA     83 GLU- HN      5.00                
 &rst
  ixpk= 0, nxpk= 0, iat=1262,1296, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  81 THR  HB     82 LYS+ HN      4.30                
 &rst
  ixpk= 0, nxpk= 0, iat=1264,1274, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,  &end
#
#  81 THR  HB     83 GLU- HN      4.60                
 &rst
  ixpk= 0, nxpk= 0, iat=1264,1296, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,  &end
#
#  81 THR  QG2    82 LYS+ HN      6.40                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1274, r1= 1.30, r2= 1.80, r3= 7.69, r4= 8.19,
 igr1=1266,1267,1268,
 &end
#
#  81 THR  QG2    83 GLU- HN      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1296, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr1=1266,1267,1268,
 &end
#
#  81 THR  QG2    84 ALA  HN      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1311, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr1=1266,1267,1268,
 &end
#
#  82 LYS+ HN     82 LYS+ HG2     6.60                
 &rst
  ixpk= 0, nxpk= 0, iat=1274,1281, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  82 LYS+ HN     82 LYS+ HG3     6.60                
 &rst
  ixpk= 0, nxpk= 0, iat=1274,1282, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  82 LYS+ HN     82 LYS+ QG      5.79                
 &rst
  ixpk= 0, nxpk= 0, iat=1274,  -1, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,
 igr2=1281,1282,
 &end
#
#  82 LYS+ HN     82 LYS+ QD      5.68                
 &rst
  ixpk= 0, nxpk= 0, iat=1274,  -1, r1= 1.30, r2= 1.80, r3= 6.38, r4= 6.88,
 igr2=1284,1285,
 &end
#
#  82 LYS+ HN     82 LYS+ QE      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=1274,  -1, r1= 1.30, r2= 1.80, r3= 8.53, r4= 9.03,
 igr2=1287,1288,
 &end
#
#  82 LYS+ HN     83 GLU- HN      4.30                
 &rst
  ixpk= 0, nxpk= 0, iat=1274,1296, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,  &end
#
#  82 LYS+ HA     82 LYS+ HD2     6.50                
 &rst
  ixpk= 0, nxpk= 0, iat=1276,1284, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,  &end
#
#  82 LYS+ HA     82 LYS+ HD3     6.50                
 &rst
  ixpk= 0, nxpk= 0, iat=1276,1285, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,  &end
#
#  82 LYS+ HA     82 LYS+ QD      5.87                
 &rst
  ixpk= 0, nxpk= 0, iat=1276,  -1, r1= 1.30, r2= 1.80, r3= 6.59, r4= 7.09,
 igr2=1284,1285,
 &end
#
#  82 LYS+ HA     82 LYS+ QE      7.20                
 &rst
  ixpk= 0, nxpk= 0, iat=1276,  -1, r1= 1.30, r2= 1.80, r3= 8.08, r4= 8.58,
 igr2=1287,1288,
 &end
#
#  82 LYS+ HA     84 ALA  HN      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat=1276,1311, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  82 LYS+ HA     85 ILE  HB      5.00                
 &rst
  ixpk= 0, nxpk= 0, iat=1276,1325, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  82 LYS+ HA     85 ILE  QG1     7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=1276,  -1, r1= 1.30, r2= 1.80, r3= 8.53, r4= 9.03,
 igr2=1331,1332,
 &end
#
#  82 LYS+ HA     85 ILE  QD1     7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=1276,  -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr2=1334,1335,1336,
 &end
#
#  82 LYS+ HB2    82 LYS+ QE      7.00                
 &rst
  ixpk= 0, nxpk= 0, iat=1278,  -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr2=1287,1288,
 &end
#
#  82 LYS+ HB2    83 GLU- HN      4.70                
 &rst
  ixpk= 0, nxpk= 0, iat=1278,1296, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,  &end
#
#  82 LYS+ HB3    82 LYS+ QE      7.00                
 &rst
  ixpk= 0, nxpk= 0, iat=1279,  -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr2=1287,1288,
 &end
#
#  82 LYS+ HB3    83 GLU- HN      4.70                
 &rst
  ixpk= 0, nxpk= 0, iat=1279,1296, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,  &end
#
#  82 LYS+ QB     82 LYS+ QE      6.46                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.14, r4= 8.64,
 igr1=1278,1279,
 igr2=1287,1288,
 &end
#
#  82 LYS+ QB     83 GLU- HN      4.47                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1296, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52,
 igr1=1278,1279,
 &end
#
#  82 LYS+ HG2    83 GLU- HN      5.80                
 &rst
  ixpk= 0, nxpk= 0, iat=1281,1296, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,  &end
#
#  82 LYS+ HG3    83 GLU- HN      5.80                
 &rst
  ixpk= 0, nxpk= 0, iat=1282,1296, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,  &end
#
#  82 LYS+ HD2    83 GLU- HN      5.20                
 &rst
  ixpk= 0, nxpk= 0, iat=1284,1296, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,  &end
#
#  82 LYS+ HD3    83 GLU- HN      5.20                
 &rst
  ixpk= 0, nxpk= 0, iat=1285,1296, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,  &end
#
#  82 LYS+ QD     83 GLU- HN      4.93                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1296, r1= 1.30, r2= 1.80, r3= 5.53, r4= 6.03,
 igr1=1284,1285,
 &end
#
#  83 GLU- HN     83 GLU- HB2     4.10                
 &rst
  ixpk= 0, nxpk= 0, iat=1296,1300, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,  &end
#
#  83 GLU- HN     83 GLU- HB3     4.10                
 &rst
  ixpk= 0, nxpk= 0, iat=1296,1301, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,  &end
#
#  83 GLU- HN     83 GLU- HG2     4.60                
 &rst
  ixpk= 0, nxpk= 0, iat=1296,1303, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,  &end
#
#  83 GLU- HN     83 GLU- HG3     4.60                
 &rst
  ixpk= 0, nxpk= 0, iat=1296,1304, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,  &end
#
#  83 GLU- HN     83 GLU- QG      4.42                
 &rst
  ixpk= 0, nxpk= 0, iat=1296,  -1, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,
 igr2=1303,1304,
 &end
#
#  83 GLU- HN     84 ALA  HN      4.30                
 &rst
  ixpk= 0, nxpk= 0, iat=1296,1311, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,  &end
#
#  83 GLU- HN     84 ALA  QB      5.50                
 &rst
  ixpk= 0, nxpk= 0, iat=1296,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1315,1316,1317,
 &end
#
#  83 GLU- HN     85 ILE  QD1     7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=1296,  -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr2=1334,1335,1336,
 &end
#
#  83 GLU- HA     85 ILE  HN      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat=1298,1321, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  83 GLU- HA     86 ALA  HN      6.20                
 &rst
  ixpk= 0, nxpk= 0, iat=1298,1340, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70,  &end
#
#  83 GLU- HA     86 ALA  QB      4.70                
 &rst
  ixpk= 0, nxpk= 0, iat=1298,  -1, r1= 1.30, r2= 1.80, r3= 5.64, r4= 6.14,
 igr2=1344,1345,1346,
 &end
#
#  83 GLU- HA     87 ASN  HN      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat=1298,1350, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  83 GLU- HB2    84 ALA  HN      4.70                
 &rst
  ixpk= 0, nxpk= 0, iat=1300,1311, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,  &end
#
#  83 GLU- HB3    84 ALA  HN      4.70                
 &rst
  ixpk= 0, nxpk= 0, iat=1301,1311, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,  &end
#
#  83 GLU- HG2    84 ALA  HN      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat=1303,1311, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  83 GLU- HG3    84 ALA  HN      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat=1304,1311, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  83 GLU- QG     84 ALA  HN      6.44                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1311, r1= 1.30, r2= 1.80, r3= 7.23, r4= 7.73,
 igr1=1303,1304,
 &end
#
#  84 ALA  HN     85 ILE  HN      4.60                
 &rst
  ixpk= 0, nxpk= 0, iat=1311,1321, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,  &end
#
#  84 ALA  HN     85 ILE  QG2     7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=1311,  -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr2=1327,1328,1329,
 &end
#
#  84 ALA  HN     85 ILE  QG1     7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=1311,  -1, r1= 1.30, r2= 1.80, r3= 8.53, r4= 9.03,
 igr2=1331,1332,
 &end
#
#  84 ALA  HN     86 ALA  HN      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat=1311,1340, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  84 ALA  HA     86 ALA  HN      4.70                
 &rst
  ixpk= 0, nxpk= 0, iat=1313,1340, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,  &end
#
#  84 ALA  HA     87 ASN  HN      5.50                
 &rst
  ixpk= 0, nxpk= 0, iat=1313,1350, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  84 ALA  HA     87 ASN  HB2     6.60                
 &rst
  ixpk= 0, nxpk= 0, iat=1313,1354, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  84 ALA  HA     87 ASN  HB3     6.60                
 &rst
  ixpk= 0, nxpk= 0, iat=1313,1355, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  84 ALA  HA     87 ASN  QB      6.15                
 &rst
  ixpk= 0, nxpk= 0, iat=1313,  -1, r1= 1.30, r2= 1.80, r3= 6.90, r4= 7.40,
 igr2=1354,1355,
 &end
#
#  84 ALA  QB     85 ILE  HN      3.80                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1321, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06,
 igr1=1315,1316,1317,
 &end
#
#  84 ALA  QB     86 ALA  HN      6.20                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1340, r1= 1.30, r2= 1.80, r3= 7.45, r4= 7.95,
 igr1=1315,1316,1317,
 &end
#
#  84 ALA  QB     87 ASN  HN      6.10                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1350, r1= 1.30, r2= 1.80, r3= 7.33, r4= 7.83,
 igr1=1315,1316,1317,
 &end
#
#  84 ALA  QB     87 ASN  HD21    7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1359, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr1=1315,1316,1317,
 &end
#
#  84 ALA  QB     87 ASN  HD22    7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1360, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr1=1315,1316,1317,
 &end
#
#  85 ILE  HN     85 ILE  QG2     4.70                
 &rst
  ixpk= 0, nxpk= 0, iat=1321,  -1, r1= 1.30, r2= 1.80, r3= 5.64, r4= 6.14,
 igr2=1327,1328,1329,
 &end
#
#  85 ILE  HN     85 ILE  QG1     7.50                
 &rst
  ixpk= 0, nxpk= 0, iat=1321,  -1, r1= 1.30, r2= 1.80, r3= 8.42, r4= 8.92,
 igr2=1331,1332,
 &end
#
#  85 ILE  HN     85 ILE  QD1     5.00                
 &rst
  ixpk= 0, nxpk= 0, iat=1321,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2=1334,1335,1336,
 &end
#
#  85 ILE  HN     86 ALA  HN      4.80                
 &rst
  ixpk= 0, nxpk= 0, iat=1321,1340, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,  &end
#
#  85 ILE  HN     86 ALA  QB      5.30                
 &rst
  ixpk= 0, nxpk= 0, iat=1321,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr2=1344,1345,1346,
 &end
#
#  85 ILE  HN     87 ASN  HN      6.50                
 &rst
  ixpk= 0, nxpk= 0, iat=1321,1350, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,  &end
#
#  85 ILE  HA     87 ASN  HN      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat=1323,1350, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  85 ILE  HA     88 TYR  HN      5.50                
 &rst
  ixpk= 0, nxpk= 0, iat=1323,1364, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  85 ILE  HA     88 TYR  HB2     6.30                
 &rst
  ixpk= 0, nxpk= 0, iat=1323,1368, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,  &end
#
#  85 ILE  HA     88 TYR  HB3     6.30                
 &rst
  ixpk= 0, nxpk= 0, iat=1323,1369, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,  &end
#
#  85 ILE  HA     88 TYR  QB      5.94                
 &rst
  ixpk= 0, nxpk= 0, iat=1323,  -1, r1= 1.30, r2= 1.80, r3= 6.67, r4= 7.17,
 igr2=1368,1369,
 &end
#
#  85 ILE  HB     86 ALA  HN      3.60                
 &rst
  ixpk= 0, nxpk= 0, iat=1325,1340, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,  &end
#
#  85 ILE  HB     87 ASN  HN      5.90                
 &rst
  ixpk= 0, nxpk= 0, iat=1325,1350, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,  &end
#
#  85 ILE  QG2    86 ALA  HN      6.00                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1340, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1=1327,1328,1329,
 &end
#
#  85 ILE  QG2    86 ALA  QB      8.40                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=12.11, r4=12.61,
 igr1=1327,1328,1329,
 igr2=1344,1345,1346,
 &end
#
#  85 ILE  QG2    87 ASN  HN      7.30                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1350, r1= 1.30, r2= 1.80, r3= 8.77, r4= 9.27,
 igr1=1327,1328,1329,
 &end
#
#  85 ILE  QG2    88 TYR  HN      7.40                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1364, r1= 1.30, r2= 1.80, r3= 8.89, r4= 9.39,
 igr1=1327,1328,1329,
 &end
#
#  85 ILE  QG2    89 VAL  HN      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1385, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr1=1327,1328,1329,
 &end
#
#  85 ILE  QG2    97 VAL  HA      7.40                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1526, r1= 1.30, r2= 1.80, r3= 8.89, r4= 9.39,
 igr1=1327,1328,1329,
 &end
#
#  85 ILE  QG2    98 GLY  HN      7.00                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1540, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr1=1327,1328,1329,
 &end
#
#  85 ILE  QG2    98 GLY  HA2     7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1542, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr1=1327,1328,1329,
 &end
#
#  85 ILE  QG2    98 GLY  HA3     7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1543, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr1=1327,1328,1329,
 &end
#
#  85 ILE  QG2    99 LEU  HN      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1547, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr1=1327,1328,1329,
 &end
#
#  85 ILE  QG1    86 ALA  HN      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1340, r1= 1.30, r2= 1.80, r3= 8.53, r4= 9.03,
 igr1=1331,1332,
 &end
#
#  85 ILE  QD1    86 ALA  HN      7.40                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1340, r1= 1.30, r2= 1.80, r3= 8.89, r4= 9.39,
 igr1=1334,1335,1336,
 &end
#
#  85 ILE  QD1    99 LEU  HN      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1547, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr1=1334,1335,1336,
 &end
#
#  85 ILE  QD1   100 THR  HB      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1570, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr1=1334,1335,1336,
 &end
#
#  85 ILE  QD1   100 THR  QG2     8.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=12.40, r4=12.90,
 igr1=1334,1335,1336,
 igr2=1572,1573,1574,
 &end
#
#  85 ILE  QD1   100 THR  HG1     7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1576, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr1=1334,1335,1336,
 &end
#
#  86 ALA  HN     86 ALA  QB      3.40                
 &rst
  ixpk= 0, nxpk= 0, iat=1340,  -1, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58,
 igr2=1344,1345,1346,
 &end
#
#  86 ALA  HN     87 ASN  HN      4.30                
 &rst
  ixpk= 0, nxpk= 0, iat=1340,1350, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,  &end
#
#  86 ALA  HN     89 VAL  QQG     9.16                
 &rst
  ixpk= 0, nxpk= 0, iat=1340,  -1, r1= 1.30, r2= 1.80, r3=12.35, r4=12.85,
 igr2=1391,1392,1393,1395,1396,1397,
 &end
#
#  86 ALA  HA     88 TYR  HN      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat=1342,1364, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  86 ALA  HA     89 VAL  HN      6.20                
 &rst
  ixpk= 0, nxpk= 0, iat=1342,1385, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70,  &end
#
#  86 ALA  HA     89 VAL  HB      6.30                
 &rst
  ixpk= 0, nxpk= 0, iat=1342,1389, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,  &end
#
#  86 ALA  HA     89 VAL  QG1     7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=1342,  -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr2=1391,1392,1393,
 &end
#
#  86 ALA  HA     89 VAL  QG2     7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=1342,  -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr2=1395,1396,1397,
 &end
#
#  86 ALA  QB     87 ASN  HN      3.50                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1350, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1=1344,1345,1346,
 &end
#
#  86 ALA  QB     87 ASN  HA      5.00                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1352, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1=1344,1345,1346,
 &end
#
#  86 ALA  QB     89 VAL  HN      5.70                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1385, r1= 1.30, r2= 1.80, r3= 6.85, r4= 7.35,
 igr1=1344,1345,1346,
 &end
#
#  87 ASN  HN     87 ASN  HB2     4.20                
 &rst
  ixpk= 0, nxpk= 0, iat=1350,1354, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,  &end
#
#  87 ASN  HN     87 ASN  HB3     4.20                
 &rst
  ixpk= 0, nxpk= 0, iat=1350,1355, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,  &end
#
#  87 ASN  HN     87 ASN  HD21    5.80                
 &rst
  ixpk= 0, nxpk= 0, iat=1350,1359, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,  &end
#
#  87 ASN  HN     87 ASN  HD22    5.80                
 &rst
  ixpk= 0, nxpk= 0, iat=1350,1360, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,  &end
#
#  87 ASN  HN     87 ASN  QD2     5.25                
 &rst
  ixpk= 0, nxpk= 0, iat=1350,  -1, r1= 1.30, r2= 1.80, r3= 5.89, r4= 6.39,
 igr2=1359,1360,
 &end
#
#  87 ASN  HN     89 VAL  HN      6.20                
 &rst
  ixpk= 0, nxpk= 0, iat=1350,1385, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70,  &end
#
#  87 ASN  HN     89 VAL  QQG     9.06                
 &rst
  ixpk= 0, nxpk= 0, iat=1350,  -1, r1= 1.30, r2= 1.80, r3=12.21, r4=12.71,
 igr2=1391,1392,1393,1395,1396,1397,
 &end
#
#  87 ASN  HN     90 LYS+ HN      6.00                
 &rst
  ixpk= 0, nxpk= 0, iat=1350,1401, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#  87 ASN  HA     87 ASN  HD21    6.60                
 &rst
  ixpk= 0, nxpk= 0, iat=1352,1359, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  87 ASN  HA     87 ASN  HD22    6.60                
 &rst
  ixpk= 0, nxpk= 0, iat=1352,1360, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  87 ASN  HA     90 LYS+ HN      5.90                
 &rst
  ixpk= 0, nxpk= 0, iat=1352,1401, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,  &end
#
#  87 ASN  HA     90 LYS+ QE      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=1352,  -1, r1= 1.30, r2= 1.80, r3= 8.53, r4= 9.03,
 igr2=1414,1415,
 &end
#
#  87 ASN  HB2    88 TYR  HN      4.90                
 &rst
  ixpk= 0, nxpk= 0, iat=1354,1364, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,  &end
#
#  87 ASN  HB2    90 LYS+ HN      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat=1354,1401, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  87 ASN  HB2    90 LYS+ QG      7.50                
 &rst
  ixpk= 0, nxpk= 0, iat=1354,  -1, r1= 1.30, r2= 1.80, r3= 8.42, r4= 8.92,
 igr2=1408,1409,
 &end
#
#  87 ASN  HB3    88 TYR  HN      4.90                
 &rst
  ixpk= 0, nxpk= 0, iat=1355,1364, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,  &end
#
#  87 ASN  HB3    90 LYS+ HN      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat=1355,1401, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  87 ASN  HB3    90 LYS+ QG      7.50                
 &rst
  ixpk= 0, nxpk= 0, iat=1355,  -1, r1= 1.30, r2= 1.80, r3= 8.42, r4= 8.92,
 igr2=1408,1409,
 &end
#
#  87 ASN  QB     88 TYR  HN      4.53                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1364, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,
 igr1=1354,1355,
 &end
#
#  87 ASN  QB     90 LYS+ QG      6.87                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.66, r4= 9.16,
 igr1=1354,1355,
 igr2=1408,1409,
 &end
#
#  87 ASN  QD2    89 VAL  HB      7.47                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1389, r1= 1.30, r2= 1.80, r3= 8.38, r4= 8.88,
 igr1=1359,1360,
 &end
#
#  88 TYR  HN     88 TYR  QE      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=1364,  -1, r1= 1.30, r2= 1.80, r3= 8.53, r4= 9.03,
 igr2=1374,1379,
 &end
#
#  88 TYR  HN     89 VAL  HN      4.80                
 &rst
  ixpk= 0, nxpk= 0, iat=1364,1385, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,  &end
#
#  88 TYR  HN     89 VAL  QG1     7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=1364,  -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr2=1391,1392,1393,
 &end
#
#  88 TYR  HN     89 VAL  QG2     7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=1364,  -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr2=1395,1396,1397,
 &end
#
#  88 TYR  HN     90 LYS+ HN      5.20                
 &rst
  ixpk= 0, nxpk= 0, iat=1364,1401, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,  &end
#
#  88 TYR  HN     91 GLU- HN      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat=1364,1423, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  88 TYR  HA     91 GLU- HN      5.60                
 &rst
  ixpk= 0, nxpk= 0, iat=1366,1423, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,  &end
#
#  88 TYR  HB2    89 VAL  HN      5.20                
 &rst
  ixpk= 0, nxpk= 0, iat=1368,1385, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,  &end
#
#  88 TYR  HB3    89 VAL  HN      5.20                
 &rst
  ixpk= 0, nxpk= 0, iat=1369,1385, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,  &end
#
#  88 TYR  QD     89 VAL  QQG    11.16                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=16.89, r4=17.39,
 igr1=1372,1381,
 igr2=1391,1392,1393,1395,1396,1397,
 &end
#
#  88 TYR  QE     89 VAL  HN      8.50                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1385, r1= 1.30, r2= 1.80, r3= 9.54, r4=10.04,
 igr1=1374,1379,
 &end
#
#  89 VAL  HN     90 LYS+ HN      4.50                
 &rst
  ixpk= 0, nxpk= 0, iat=1385,1401, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  89 VAL  HN     90 LYS+ QG      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=1385,  -1, r1= 1.30, r2= 1.80, r3= 8.53, r4= 9.03,
 igr2=1408,1409,
 &end
#
#  89 VAL  HN     90 LYS+ QD      7.50                
 &rst
  ixpk= 0, nxpk= 0, iat=1385,  -1, r1= 1.30, r2= 1.80, r3= 8.42, r4= 8.92,
 igr2=1411,1412,
 &end
#
#  89 VAL  HN     91 GLU- HN      6.10                
 &rst
  ixpk= 0, nxpk= 0, iat=1385,1423, r1= 1.30, r2= 1.80, r3= 6.10, r4= 6.60,  &end
#
#  89 VAL  HN     92 PHE  QD      8.20                
 &rst
  ixpk= 0, nxpk= 0, iat=1385,  -1, r1= 1.30, r2= 1.80, r3= 9.20, r4= 9.70,
 igr2=1446,1454,
 &end
#
#  89 VAL  HN     96 LEU  QQD     8.97                
 &rst
  ixpk= 0, nxpk= 0, iat=1385,  -1, r1= 1.30, r2= 1.80, r3=12.09, r4=12.59,
 igr2=1518,1519,1520,1514,1515,1516,
 &end
#
#  89 VAL  HA     92 PHE  HN      5.80                
 &rst
  ixpk= 0, nxpk= 0, iat=1387,1438, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,  &end
#
#  89 VAL  HA     92 PHE  QD      7.40                
 &rst
  ixpk= 0, nxpk= 0, iat=1387,  -1, r1= 1.30, r2= 1.80, r3= 8.31, r4= 8.81,
 igr2=1446,1454,
 &end
#
#  89 VAL  HA     96 LEU  QQD     9.17                
 &rst
  ixpk= 0, nxpk= 0, iat=1387,  -1, r1= 1.30, r2= 1.80, r3=12.36, r4=12.86,
 igr2=1518,1519,1520,1514,1515,1516,
 &end
#
#  89 VAL  QG1    90 LYS+ HN      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1401, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
 igr1=1391,1392,1393,
 &end
#
#  89 VAL  QG1    90 LYS+ HA      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1403, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr1=1391,1392,1393,
 &end
#
#  89 VAL  QG1    98 GLY  HN      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1540, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr1=1391,1392,1393,
 &end
#
#  89 VAL  QG2    90 LYS+ HN      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1401, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
 igr1=1395,1396,1397,
 &end
#
#  89 VAL  QG2    90 LYS+ HA      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1403, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr1=1395,1396,1397,
 &end
#
#  89 VAL  QG2    98 GLY  HN      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1540, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr1=1395,1396,1397,
 &end
#
#  89 VAL  QQG    90 LYS+ HN      5.87                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1401, r1= 1.30, r2= 1.80, r3= 7.91, r4= 8.41,
 igr1=1391,1392,1393,1395,1396,1397,
 &end
#
#  89 VAL  QQG    91 GLU- HN      7.56                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1423, r1= 1.30, r2= 1.80, r3=10.19, r4=10.69,
 igr1=1391,1392,1393,1395,1396,1397,
 &end
#
#  89 VAL  QQG    92 PHE  HN      9.16                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1438, r1= 1.30, r2= 1.80, r3=12.35, r4=12.85,
 igr1=1391,1392,1393,1395,1396,1397,
 &end
#
#  89 VAL  QQG    92 PHE  QE     11.16                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=16.89, r4=17.39,
 igr1=1391,1392,1393,1395,1396,1397,
 igr2=1448,1452,
 &end
#
#  89 VAL  QQG    93 SER  HN      9.16                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1458, r1= 1.30, r2= 1.80, r3=12.35, r4=12.85,
 igr1=1391,1392,1393,1395,1396,1397,
 &end
#
#  89 VAL  QQG    97 VAL  HA      9.16                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1526, r1= 1.30, r2= 1.80, r3=12.35, r4=12.85,
 igr1=1391,1392,1393,1395,1396,1397,
 &end
#
#  89 VAL  QQG    98 GLY  QA     10.04                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=15.19, r4=15.69,
 igr1=1391,1392,1393,1395,1396,1397,
 igr2=1542,1543,
 &end
#
#  90 LYS+ HN     90 LYS+ QG      5.80                
 &rst
  ixpk= 0, nxpk= 0, iat=1401,  -1, r1= 1.30, r2= 1.80, r3= 6.51, r4= 7.01,
 igr2=1408,1409,
 &end
#
#  90 LYS+ HN     90 LYS+ QD      6.20                
 &rst
  ixpk= 0, nxpk= 0, iat=1401,  -1, r1= 1.30, r2= 1.80, r3= 6.96, r4= 7.46,
 igr2=1411,1412,
 &end
#
#  90 LYS+ HN     90 LYS+ QE      6.80                
 &rst
  ixpk= 0, nxpk= 0, iat=1401,  -1, r1= 1.30, r2= 1.80, r3= 7.63, r4= 8.13,
 igr2=1414,1415,
 &end
#
#  90 LYS+ HN     91 GLU- HN      4.10                
 &rst
  ixpk= 0, nxpk= 0, iat=1401,1423, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,  &end
#
#  90 LYS+ HN     91 GLU- QG      6.78                
 &rst
  ixpk= 0, nxpk= 0, iat=1401,  -1, r1= 1.30, r2= 1.80, r3= 7.61, r4= 8.11,
 igr2=1430,1431,
 &end
#
#  90 LYS+ HN     92 PHE  HN      4.40                
 &rst
  ixpk= 0, nxpk= 0, iat=1401,1438, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,  &end
#
#  90 LYS+ HN     92 PHE  QE      8.00                
 &rst
  ixpk= 0, nxpk= 0, iat=1401,  -1, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
 igr2=1448,1452,
 &end
#
#  90 LYS+ HA     90 LYS+ QD      6.90                
 &rst
  ixpk= 0, nxpk= 0, iat=1403,  -1, r1= 1.30, r2= 1.80, r3= 7.74, r4= 8.24,
 igr2=1411,1412,
 &end
#
#  90 LYS+ HA     90 LYS+ QE      6.90                
 &rst
  ixpk= 0, nxpk= 0, iat=1403,  -1, r1= 1.30, r2= 1.80, r3= 7.74, r4= 8.24,
 igr2=1414,1415,
 &end
#
#  90 LYS+ HA     93 SER  HN      5.20                
 &rst
  ixpk= 0, nxpk= 0, iat=1403,1458, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,  &end
#
#  90 LYS+ QB     90 LYS+ QE      7.20                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.07, r4= 9.57,
 igr1=1405,1406,
 igr2=1414,1415,
 &end
#
#  90 LYS+ QB     91 GLU- HN      5.70                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1423, r1= 1.30, r2= 1.80, r3= 6.40, r4= 6.90,
 igr1=1405,1406,
 &end
#
#  90 LYS+ QG     91 GLU- HN      6.20                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1423, r1= 1.30, r2= 1.80, r3= 6.96, r4= 7.46,
 igr1=1408,1409,
 &end
#
#  90 LYS+ QG     93 SER  HN      7.00                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1458, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1=1408,1409,
 &end
#
#  90 LYS+ QD     91 GLU- HN      4.50                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1423, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1411,1412,
 &end
#
#  90 LYS+ QD     93 SER  HN      7.30                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1458, r1= 1.30, r2= 1.80, r3= 8.19, r4= 8.69,
 igr1=1411,1412,
 &end
#
#  90 LYS+ QE     91 GLU- HN      7.50                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1423, r1= 1.30, r2= 1.80, r3= 8.42, r4= 8.92,
 igr1=1414,1415,
 &end
#
#  91 GLU- HN     91 GLU- HB2     4.20                
 &rst
  ixpk= 0, nxpk= 0, iat=1423,1427, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,  &end
#
#  91 GLU- HN     91 GLU- HB3     4.20                
 &rst
  ixpk= 0, nxpk= 0, iat=1423,1428, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,  &end
#
#  91 GLU- HN     91 GLU- QB      3.46                
 &rst
  ixpk= 0, nxpk= 0, iat=1423,  -1, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38,
 igr2=1427,1428,
 &end
#
#  91 GLU- HN     91 GLU- HG2     4.30                
 &rst
  ixpk= 0, nxpk= 0, iat=1423,1430, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,  &end
#
#  91 GLU- HN     91 GLU- HG3     4.30                
 &rst
  ixpk= 0, nxpk= 0, iat=1423,1431, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,  &end
#
#  91 GLU- HN     91 GLU- QG      4.11                
 &rst
  ixpk= 0, nxpk= 0, iat=1423,  -1, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,
 igr2=1430,1431,
 &end
#
#  91 GLU- HN     92 PHE  HN      4.00                
 &rst
  ixpk= 0, nxpk= 0, iat=1423,1438, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  91 GLU- HN     92 PHE  QD      8.10                
 &rst
  ixpk= 0, nxpk= 0, iat=1423,  -1, r1= 1.30, r2= 1.80, r3= 9.09, r4= 9.59,
 igr2=1446,1454,
 &end
#
#  91 GLU- HN     92 PHE  QE      8.40                
 &rst
  ixpk= 0, nxpk= 0, iat=1423,  -1, r1= 1.30, r2= 1.80, r3= 9.43, r4= 9.93,
 igr2=1448,1452,
 &end
#
#  91 GLU- HA     92 PHE  HA      5.70                
 &rst
  ixpk= 0, nxpk= 0, iat=1425,1440, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,  &end
#
#  91 GLU- HA     92 PHE  QD      8.10                
 &rst
  ixpk= 0, nxpk= 0, iat=1425,  -1, r1= 1.30, r2= 1.80, r3= 9.09, r4= 9.59,
 igr2=1446,1454,
 &end
#
#  91 GLU- HA     93 SER  HN      5.20                
 &rst
  ixpk= 0, nxpk= 0, iat=1425,1458, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,  &end
#
#  91 GLU- HB2    92 PHE  HN      4.20                
 &rst
  ixpk= 0, nxpk= 0, iat=1427,1438, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,  &end
#
#  91 GLU- HB3    92 PHE  HN      4.20                
 &rst
  ixpk= 0, nxpk= 0, iat=1428,1438, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,  &end
#
#  91 GLU- HG2    92 PHE  HN      6.20                
 &rst
  ixpk= 0, nxpk= 0, iat=1430,1438, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70,  &end
#
#  91 GLU- HG3    92 PHE  HN      6.20                
 &rst
  ixpk= 0, nxpk= 0, iat=1431,1438, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70,  &end
#
#  91 GLU- QG     92 PHE  HN      5.65                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1438, r1= 1.30, r2= 1.80, r3= 6.34, r4= 6.84,
 igr1=1430,1431,
 &end
#
#  92 PHE  HN     92 PHE  QE      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat=1438,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2=1448,1452,
 &end
#
#  92 PHE  HN     92 PHE  HZ      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat=1438,1450, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  92 PHE  HN     93 SER  QB      6.30                
 &rst
  ixpk= 0, nxpk= 0, iat=1438,  -1, r1= 1.30, r2= 1.80, r3= 7.07, r4= 7.57,
 igr2=1462,1463,
 &end
#
#  92 PHE  HN     96 LEU  QB      6.18                
 &rst
  ixpk= 0, nxpk= 0, iat=1438,  -1, r1= 1.30, r2= 1.80, r3= 6.94, r4= 7.44,
 igr2=1509,1510,
 &end
#
#  92 PHE  HN     96 LEU  QQD     8.87                
 &rst
  ixpk= 0, nxpk= 0, iat=1438,  -1, r1= 1.30, r2= 1.80, r3=11.96, r4=12.46,
 igr2=1518,1519,1520,1514,1515,1516,
 &end
#
#  92 PHE  HA     92 PHE  HZ      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat=1440,1450, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  92 PHE  HB2    93 SER  HN      5.40                
 &rst
  ixpk= 0, nxpk= 0, iat=1442,1458, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,  &end
#
#  92 PHE  HB2    96 LEU  HN      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat=1442,1505, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  92 PHE  HB2    96 LEU  QD1    10.74                
 &rst
  ixpk= 0, nxpk= 0, iat=1442,  -1, r1= 1.30, r2= 1.80, r3=12.90, r4=13.40,
 igr2=1514,1515,1516,
 &end
#
#  92 PHE  HB2    96 LEU  QD2    10.74                
 &rst
  ixpk= 0, nxpk= 0, iat=1442,  -1, r1= 1.30, r2= 1.80, r3=12.90, r4=13.40,
 igr2=1518,1519,1520,
 &end
#
#  92 PHE  HB3    93 SER  HN      5.40                
 &rst
  ixpk= 0, nxpk= 0, iat=1443,1458, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,  &end
#
#  92 PHE  HB3    96 LEU  HN      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat=1443,1505, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  92 PHE  HB3    96 LEU  QD1    10.74                
 &rst
  ixpk= 0, nxpk= 0, iat=1443,  -1, r1= 1.30, r2= 1.80, r3=12.90, r4=13.40,
 igr2=1514,1515,1516,
 &end
#
#  92 PHE  HB3    96 LEU  QD2    10.74                
 &rst
  ixpk= 0, nxpk= 0, iat=1443,  -1, r1= 1.30, r2= 1.80, r3=12.90, r4=13.40,
 igr2=1518,1519,1520,
 &end
#
#  92 PHE  QB     93 SER  HA      7.48                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1460, r1= 1.30, r2= 1.80, r3= 8.40, r4= 8.90,
 igr1=1442,1443,
 &end
#
#  92 PHE  QB     96 LEU  HN      6.34                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1505, r1= 1.30, r2= 1.80, r3= 7.12, r4= 7.62,
 igr1=1442,1443,
 &end
#
#  92 PHE  QB     96 LEU  QQD     9.13                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=13.81, r4=14.31,
 igr1=1442,1443,
 igr2=1518,1519,1520,1514,1515,1516,
 &end
#
#  92 PHE  QD     93 SER  HN      7.50                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1458, r1= 1.30, r2= 1.80, r3= 8.42, r4= 8.92,
 igr1=1446,1454,
 &end
#
#  92 PHE  QE     93 SER  HN      8.40                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1458, r1= 1.30, r2= 1.80, r3= 9.43, r4= 9.93,
 igr1=1448,1452,
 &end
#
#  92 PHE  QE     96 LEU  QQD    11.17                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=16.90, r4=17.40,
 igr1=1448,1452,
 igr2=1518,1519,1520,1514,1515,1516,
 &end
#
#  93 SER  HN     94 PRO  HA      5.50                
 &rst
  ixpk= 0, nxpk= 0, iat=1458,1479, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  93 SER  HN     94 PRO  QB      6.68                
 &rst
  ixpk= 0, nxpk= 0, iat=1458,  -1, r1= 1.30, r2= 1.80, r3= 7.50, r4= 8.00,
 igr2=1476,1477,
 &end
#
#  93 SER  HN     95 LYS+ HN      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat=1458,1483, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  93 SER  HN     96 LEU  HN      5.20                
 &rst
  ixpk= 0, nxpk= 0, iat=1458,1505, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,  &end
#
#  93 SER  HN     96 LEU  HB2     5.70                
 &rst
  ixpk= 0, nxpk= 0, iat=1458,1509, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,  &end
#
#  93 SER  HN     96 LEU  HB3     5.70                
 &rst
  ixpk= 0, nxpk= 0, iat=1458,1510, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,  &end
#
#  93 SER  HN     96 LEU  QB      5.38                
 &rst
  ixpk= 0, nxpk= 0, iat=1458,  -1, r1= 1.30, r2= 1.80, r3= 6.04, r4= 6.54,
 igr2=1509,1510,
 &end
#
#  93 SER  HN     96 LEU  QQD     8.07                
 &rst
  ixpk= 0, nxpk= 0, iat=1458,  -1, r1= 1.30, r2= 1.80, r3=10.88, r4=11.38,
 igr2=1518,1519,1520,1514,1515,1516,
 &end
#
#  93 SER  HA     94 PRO  QB      6.23                
 &rst
  ixpk= 0, nxpk= 0, iat=1460,  -1, r1= 1.30, r2= 1.80, r3= 6.99, r4= 7.49,
 igr2=1476,1477,
 &end
#
#  93 SER  HA     95 LYS+ HN      5.90                
 &rst
  ixpk= 0, nxpk= 0, iat=1460,1483, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,  &end
#
#  93 SER  HA     96 LEU  HN      4.80                
 &rst
  ixpk= 0, nxpk= 0, iat=1460,1505, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,  &end
#
#  93 SER  QB     95 LYS+ HN      7.50                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1483, r1= 1.30, r2= 1.80, r3= 8.42, r4= 8.92,
 igr1=1462,1463,
 &end
#
#  93 SER  QB     96 LEU  HN      6.40                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1505, r1= 1.30, r2= 1.80, r3= 7.18, r4= 7.68,
 igr1=1462,1463,
 &end
#
#  93 SER  QB     96 LEU  QB      8.48                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.68, r4=11.18,
 igr1=1462,1463,
 igr2=1509,1510,
 &end
#
#  94 PRO  HA     96 LEU  HN      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat=1479,1505, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  94 PRO  HB2    95 LYS+ HN      4.40                
 &rst
  ixpk= 0, nxpk= 0, iat=1476,1483, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,  &end
#
#  94 PRO  HB3    95 LYS+ HN      4.40                
 &rst
  ixpk= 0, nxpk= 0, iat=1477,1483, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,  &end
#
#  94 PRO  QB     95 LYS+ HN      4.21                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1483, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,
 igr1=1476,1477,
 &end
#
#  94 PRO  HD2    95 LYS+ HN      5.70                
 &rst
  ixpk= 0, nxpk= 0, iat=1470,1483, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,  &end
#
#  94 PRO  HD2    96 LEU  HN      5.80                
 &rst
  ixpk= 0, nxpk= 0, iat=1470,1505, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,  &end
#
#  94 PRO  HD3    95 LYS+ HN      5.70                
 &rst
  ixpk= 0, nxpk= 0, iat=1471,1483, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,  &end
#
#  94 PRO  HD3    96 LEU  HN      5.80                
 &rst
  ixpk= 0, nxpk= 0, iat=1471,1505, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,  &end
#
#  94 PRO  QD     95 LYS+ HN      5.53                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1483, r1= 1.30, r2= 1.80, r3= 6.21, r4= 6.71,
 igr1=1470,1471,
 &end
#
#  94 PRO  QD     96 LEU  HN      5.63                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1505, r1= 1.30, r2= 1.80, r3= 6.32, r4= 6.82,
 igr1=1470,1471,
 &end
#
#  95 LYS+ HN     95 LYS+ QG      5.50                
 &rst
  ixpk= 0, nxpk= 0, iat=1483,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1490,1491,
 &end
#
#  95 LYS+ HN     95 LYS+ QD      5.80                
 &rst
  ixpk= 0, nxpk= 0, iat=1483,  -1, r1= 1.30, r2= 1.80, r3= 6.51, r4= 7.01,
 igr2=1493,1494,
 &end
#
#  95 LYS+ HN     96 LEU  HN      4.20                
 &rst
  ixpk= 0, nxpk= 0, iat=1483,1505, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,  &end
#
#  95 LYS+ HN     96 LEU  QB      6.88                
 &rst
  ixpk= 0, nxpk= 0, iat=1483,  -1, r1= 1.30, r2= 1.80, r3= 7.72, r4= 8.22,
 igr2=1509,1510,
 &end
#
#  95 LYS+ HA     95 LYS+ QD      6.30                
 &rst
  ixpk= 0, nxpk= 0, iat=1485,  -1, r1= 1.30, r2= 1.80, r3= 7.07, r4= 7.57,
 igr2=1493,1494,
 &end
#
#  95 LYS+ QG     96 LEU  HN      6.40                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1505, r1= 1.30, r2= 1.80, r3= 7.18, r4= 7.68,
 igr1=1490,1491,
 &end
#
#  95 LYS+ QD     96 LEU  HN      6.70                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1505, r1= 1.30, r2= 1.80, r3= 7.52, r4= 8.02,
 igr1=1493,1494,
 &end
#
#  96 LEU  HN     96 LEU  HB2     4.00                
 &rst
  ixpk= 0, nxpk= 0, iat=1505,1509, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  96 LEU  HN     96 LEU  HB3     4.00                
 &rst
  ixpk= 0, nxpk= 0, iat=1505,1510, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  96 LEU  HN     96 LEU  QB      3.80                
 &rst
  ixpk= 0, nxpk= 0, iat=1505,  -1, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,
 igr2=1509,1510,
 &end
#
#  96 LEU  HN     96 LEU  HG      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat=1505,1512, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  96 LEU  HN     96 LEU  QD1     5.30                
 &rst
  ixpk= 0, nxpk= 0, iat=1505,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr2=1514,1515,1516,
 &end
#
#  96 LEU  HN     96 LEU  QD2     5.30                
 &rst
  ixpk= 0, nxpk= 0, iat=1505,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr2=1518,1519,1520,
 &end
#
#  96 LEU  HN     96 LEU  QQD     4.86                
 &rst
  ixpk= 0, nxpk= 0, iat=1505,  -1, r1= 1.30, r2= 1.80, r3= 6.55, r4= 7.05,
 igr2=1518,1519,1520,1514,1515,1516,
 &end
#
#  96 LEU  HN     97 VAL  HN      5.10                
 &rst
  ixpk= 0, nxpk= 0, iat=1505,1524, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,  &end
#
#  96 LEU  HA     96 LEU  HG      4.20                
 &rst
  ixpk= 0, nxpk= 0, iat=1507,1512, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,  &end
#
#  96 LEU  HA     96 LEU  QD1     6.00                
 &rst
  ixpk= 0, nxpk= 0, iat=1507,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr2=1514,1515,1516,
 &end
#
#  96 LEU  HA     96 LEU  QD2     6.00                
 &rst
  ixpk= 0, nxpk= 0, iat=1507,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr2=1518,1519,1520,
 &end
#
#  96 LEU  HB2    97 VAL  HN      5.10                
 &rst
  ixpk= 0, nxpk= 0, iat=1509,1524, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,  &end
#
#  96 LEU  HB3    97 VAL  HN      5.10                
 &rst
  ixpk= 0, nxpk= 0, iat=1510,1524, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,  &end
#
#  96 LEU  QB     97 VAL  HN      4.78                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1524, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,
 igr1=1509,1510,
 &end
#
#  96 LEU  QD1    97 VAL  HN      6.90                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1524, r1= 1.30, r2= 1.80, r3= 8.29, r4= 8.79,
 igr1=1514,1515,1516,
 &end
#
#  96 LEU  QD2    97 VAL  HN      6.90                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1524, r1= 1.30, r2= 1.80, r3= 8.29, r4= 8.79,
 igr1=1518,1519,1520,
 &end
#
#  97 VAL  HN     98 GLY  HN      4.60                
 &rst
  ixpk= 0, nxpk= 0, iat=1524,1540, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,  &end
#
#  97 VAL  HB     98 GLY  HN      6.50                
 &rst
  ixpk= 0, nxpk= 0, iat=1528,1540, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,  &end
#
#  97 VAL  HB     99 LEU  QQD     6.67                
 &rst
  ixpk= 0, nxpk= 0, iat=1528,  -1, r1= 1.30, r2= 1.80, r3= 8.99, r4= 9.49,
 igr2=1560,1561,1562,1556,1557,1558,
 &end
#
#  97 VAL  QQG    98 GLY  HN      8.36                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1540, r1= 1.30, r2= 1.80, r3=11.27, r4=11.77,
 igr1=1530,1531,1532,1534,1535,1536,
 &end
#
#  98 GLY  HN     99 LEU  HN      5.80                
 &rst
  ixpk= 0, nxpk= 0, iat=1540,1547, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,  &end
#
#  98 GLY  HN     99 LEU  QQD     9.17                
 &rst
  ixpk= 0, nxpk= 0, iat=1540,  -1, r1= 1.30, r2= 1.80, r3=12.36, r4=12.86,
 igr2=1560,1561,1562,1556,1557,1558,
 &end
#
#  99 LEU  HN     99 LEU  HG      5.50                
 &rst
  ixpk= 0, nxpk= 0, iat=1547,1554, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  99 LEU  HN     99 LEU  QD1     5.90                
 &rst
  ixpk= 0, nxpk= 0, iat=1547,  -1, r1= 1.30, r2= 1.80, r3= 7.09, r4= 7.59,
 igr2=1556,1557,1558,
 &end
#
#  99 LEU  HN     99 LEU  QD2     5.90                
 &rst
  ixpk= 0, nxpk= 0, iat=1547,  -1, r1= 1.30, r2= 1.80, r3= 7.09, r4= 7.59,
 igr2=1560,1561,1562,
 &end
#
#  99 LEU  HN    100 THR  HN      5.30                
 &rst
  ixpk= 0, nxpk= 0, iat=1547,1566, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,  &end
#
#  99 LEU  HA     99 LEU  QD1     7.30                
 &rst
  ixpk= 0, nxpk= 0, iat=1549,  -1, r1= 1.30, r2= 1.80, r3= 8.77, r4= 9.27,
 igr2=1556,1557,1558,
 &end
#
#  99 LEU  HA     99 LEU  QD2     7.30                
 &rst
  ixpk= 0, nxpk= 0, iat=1549,  -1, r1= 1.30, r2= 1.80, r3= 8.77, r4= 9.27,
 igr2=1560,1561,1562,
 &end
#
#  99 LEU  HA    100 THR  QG2     7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=1549,  -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr2=1572,1573,1574,
 &end
#
#  99 LEU  HB2   100 THR  HN      4.60                
 &rst
  ixpk= 0, nxpk= 0, iat=1551,1566, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,  &end
#
#  99 LEU  HB3   100 THR  HN      4.60                
 &rst
  ixpk= 0, nxpk= 0, iat=1552,1566, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,  &end
#
#  99 LEU  QB    100 THR  HN      4.42                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1566, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,
 igr1=1551,1552,
 &end
#
#  99 LEU  HG    100 THR  HN      6.30                
 &rst
  ixpk= 0, nxpk= 0, iat=1554,1566, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,  &end
#
#  99 LEU  QD1   100 THR  HN      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1566, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr1=1556,1557,1558,
 &end
#
#  99 LEU  QD2   100 THR  HN      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1566, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr1=1560,1561,1562,
 &end
#
#  99 LEU  QQD   100 THR  HN      6.49                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1566, r1= 1.30, r2= 1.80, r3= 8.75, r4= 9.25,
 igr1=1560,1561,1562,1556,1557,1558,
 &end
#
# 100 THR  HN    100 THR  QG2     4.70                
 &rst
  ixpk= 0, nxpk= 0, iat=1566,  -1, r1= 1.30, r2= 1.80, r3= 5.64, r4= 6.14,
 igr2=1572,1573,1574,
 &end
#
# 100 THR  HN    100 THR  HG1     5.10                
 &rst
  ixpk= 0, nxpk= 0, iat=1566,1576, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,  &end
#
# 100 THR  HN    101 GLY  HN      5.10                
 &rst
  ixpk= 0, nxpk= 0, iat=1566,1580, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,  &end
#
# 100 THR  HA    101 GLY  HN      3.60                
 &rst
  ixpk= 0, nxpk= 0, iat=1568,1580, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,  &end
#
# 100 THR  HA    106 VAL  QQG     9.16                
 &rst
  ixpk= 0, nxpk= 0, iat=1568,  -1, r1= 1.30, r2= 1.80, r3=12.35, r4=12.85,
 igr2=1661,1662,1663,1665,1666,1667,
 &end
#
# 100 THR  HB    101 GLY  HN      4.20                
 &rst
  ixpk= 0, nxpk= 0, iat=1570,1580, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,  &end
#
# 100 THR  QG2   101 GLY  HN      5.20                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1580, r1= 1.30, r2= 1.80, r3= 6.24, r4= 6.74,
 igr1=1572,1573,1574,
 &end
#
# 100 THR  HG1   101 GLY  HN      4.60                
 &rst
  ixpk= 0, nxpk= 0, iat=1576,1580, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,  &end
#
# 101 GLY  HN    102 THR  HN      4.80                
 &rst
  ixpk= 0, nxpk= 0, iat=1580,1587, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,  &end
#
# 101 GLY  HN    102 THR  HB      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat=1580,1591, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
# 101 GLY  HN    102 THR  QG2     7.00                
 &rst
  ixpk= 0, nxpk= 0, iat=1580,  -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr2=1593,1594,1595,
 &end
#
# 101 GLY  HN    105 GLU- QG      6.00                
 &rst
  ixpk= 0, nxpk= 0, iat=1580,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2=1647,1648,
 &end
#
# 101 GLY  HN    106 VAL  HN      4.80                
 &rst
  ixpk= 0, nxpk= 0, iat=1580,1655, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,  &end
#
# 101 GLY  HN    106 VAL  QG1     7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=1580,  -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr2=1661,1662,1663,
 &end
#
# 101 GLY  HN    106 VAL  QG2     7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=1580,  -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr2=1665,1666,1667,
 &end
#
# 101 GLY  HN    106 VAL  QQG     7.24                
 &rst
  ixpk= 0, nxpk= 0, iat=1580,  -1, r1= 1.30, r2= 1.80, r3= 9.76, r4=10.26,
 igr2=1661,1662,1663,1665,1666,1667,
 &end
#
# 101 GLY  HA2   105 GLU- QG      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=1582,  -1, r1= 1.30, r2= 1.80, r3= 8.53, r4= 9.03,
 igr2=1647,1648,
 &end
#
# 101 GLY  HA3   105 GLU- QG      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=1583,  -1, r1= 1.30, r2= 1.80, r3= 8.53, r4= 9.03,
 igr2=1647,1648,
 &end
#
# 101 GLY  QA    102 THR  QG2     6.68                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.00, r4= 9.50,
 igr1=1582,1583,
 igr2=1593,1594,1595,
 &end
#
# 102 THR  HN    102 THR  QG2     4.60                
 &rst
  ixpk= 0, nxpk= 0, iat=1587,  -1, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02,
 igr2=1593,1594,1595,
 &end
#
# 102 THR  HN    102 THR  HG1     6.00                
 &rst
  ixpk= 0, nxpk= 0, iat=1587,1597, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
# 102 THR  HN    103 ARG+ HN      4.30                
 &rst
  ixpk= 0, nxpk= 0, iat=1587,1601, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,  &end
#
# 102 THR  HN    105 GLU- HN      6.00                
 &rst
  ixpk= 0, nxpk= 0, iat=1587,1640, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
# 102 THR  HN    105 GLU- HA      5.60                
 &rst
  ixpk= 0, nxpk= 0, iat=1587,1642, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,  &end
#
# 102 THR  HN    105 GLU- QB      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=1587,  -1, r1= 1.30, r2= 1.80, r3= 8.53, r4= 9.03,
 igr2=1644,1645,
 &end
#
# 102 THR  HN    105 GLU- QG      6.20                
 &rst
  ixpk= 0, nxpk= 0, iat=1587,  -1, r1= 1.30, r2= 1.80, r3= 6.96, r4= 7.46,
 igr2=1647,1648,
 &end
#
# 102 THR  HN    106 VAL  HN      6.40                
 &rst
  ixpk= 0, nxpk= 0, iat=1587,1655, r1= 1.30, r2= 1.80, r3= 6.40, r4= 6.90,  &end
#
# 102 THR  HN    106 VAL  QG1     7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=1587,  -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr2=1661,1662,1663,
 &end
#
# 102 THR  HN    106 VAL  QG2     7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=1587,  -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr2=1665,1666,1667,
 &end
#
# 102 THR  HA    104 GLU- HN      5.20                
 &rst
  ixpk= 0, nxpk= 0, iat=1589,1625, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,  &end
#
# 102 THR  HA    105 GLU- HN      5.90                
 &rst
  ixpk= 0, nxpk= 0, iat=1589,1640, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,  &end
#
# 102 THR  HB    103 ARG+ HN      4.60                
 &rst
  ixpk= 0, nxpk= 0, iat=1591,1601, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,  &end
#
# 102 THR  QG2   103 ARG+ HN      5.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1601, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1=1593,1594,1595,
 &end
#
# 102 THR  QG2   104 GLU- HN      6.30                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1625, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1=1593,1594,1595,
 &end
#
# 102 THR  QG2   105 GLU- HN      6.70                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1640, r1= 1.30, r2= 1.80, r3= 8.05, r4= 8.55,
 igr1=1593,1594,1595,
 &end
#
# 102 THR  HG1   103 ARG+ HN      6.40                
 &rst
  ixpk= 0, nxpk= 0, iat=1597,1601, r1= 1.30, r2= 1.80, r3= 6.40, r4= 6.90,  &end
#
# 102 THR  HG1   104 GLU- HN      6.20                
 &rst
  ixpk= 0, nxpk= 0, iat=1597,1625, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70,  &end
#
# 102 THR  HG1   105 GLU- HN      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat=1597,1640, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
# 103 ARG+ HN    103 ARG+ QG      5.90                
 &rst
  ixpk= 0, nxpk= 0, iat=1601,  -1, r1= 1.30, r2= 1.80, r3= 6.62, r4= 7.12,
 igr2=1608,1609,
 &end
#
# 103 ARG+ HN    103 ARG+ QD      6.90                
 &rst
  ixpk= 0, nxpk= 0, iat=1601,  -1, r1= 1.30, r2= 1.80, r3= 7.74, r4= 8.24,
 igr2=1611,1612,
 &end
#
# 103 ARG+ HN    103 ARG+ HE      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat=1601,1614, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
# 103 ARG+ HN    104 GLU- HN      4.30                
 &rst
  ixpk= 0, nxpk= 0, iat=1601,1625, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,  &end
#
# 103 ARG+ HN    104 GLU- QB      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=1601,  -1, r1= 1.30, r2= 1.80, r3= 8.53, r4= 9.03,
 igr2=1629,1630,
 &end
#
# 103 ARG+ HN    105 GLU- HN      6.10                
 &rst
  ixpk= 0, nxpk= 0, iat=1601,1640, r1= 1.30, r2= 1.80, r3= 6.10, r4= 6.60,  &end
#
# 103 ARG+ HN    106 VAL  HN      5.90                
 &rst
  ixpk= 0, nxpk= 0, iat=1601,1655, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,  &end
#
# 103 ARG+ HN    106 VAL  HB      4.60                
 &rst
  ixpk= 0, nxpk= 0, iat=1601,1659, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,  &end
#
# 103 ARG+ HN    106 VAL  QQG     9.16                
 &rst
  ixpk= 0, nxpk= 0, iat=1601,  -1, r1= 1.30, r2= 1.80, r3=12.35, r4=12.85,
 igr2=1661,1662,1663,1665,1666,1667,
 &end
#
# 103 ARG+ HA    103 ARG+ QD      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=1603,  -1, r1= 1.30, r2= 1.80, r3= 8.53, r4= 9.03,
 igr2=1611,1612,
 &end
#
# 103 ARG+ HA    103 ARG+ HE      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat=1603,1614, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
# 103 ARG+ HA    105 GLU- HN      6.30                
 &rst
  ixpk= 0, nxpk= 0, iat=1603,1640, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,  &end
#
# 103 ARG+ HA    106 VAL  HN      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat=1603,1655, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
# 103 ARG+ HA    106 VAL  HB      4.50                
 &rst
  ixpk= 0, nxpk= 0, iat=1603,1659, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 103 ARG+ HA    106 VAL  QQG     9.16                
 &rst
  ixpk= 0, nxpk= 0, iat=1603,  -1, r1= 1.30, r2= 1.80, r3=12.35, r4=12.85,
 igr2=1661,1662,1663,1665,1666,1667,
 &end
#
# 103 ARG+ HA    107 ASP- HN      6.20                
 &rst
  ixpk= 0, nxpk= 0, iat=1603,1671, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70,  &end
#
# 103 ARG+ QB    103 ARG+ HE      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1614, r1= 1.30, r2= 1.80, r3= 8.53, r4= 9.03,
 igr1=1605,1606,
 &end
#
# 103 ARG+ QG    104 GLU- HN      6.40                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1625, r1= 1.30, r2= 1.80, r3= 7.18, r4= 7.68,
 igr1=1608,1609,
 &end
#
# 103 ARG+ QD    104 GLU- HN      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1625, r1= 1.30, r2= 1.80, r3= 8.53, r4= 9.03,
 igr1=1611,1612,
 &end
#
# 104 GLU- HN    105 GLU- HN      4.30                
 &rst
  ixpk= 0, nxpk= 0, iat=1625,1640, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,  &end
#
# 104 GLU- HN    106 VAL  QQG     9.16                
 &rst
  ixpk= 0, nxpk= 0, iat=1625,  -1, r1= 1.30, r2= 1.80, r3=12.35, r4=12.85,
 igr2=1661,1662,1663,1665,1666,1667,
 &end
#
# 104 GLU- HA    107 ASP- HN      6.00                
 &rst
  ixpk= 0, nxpk= 0, iat=1627,1671, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
# 105 GLU- HN    105 GLU- QG      5.40                
 &rst
  ixpk= 0, nxpk= 0, iat=1640,  -1, r1= 1.30, r2= 1.80, r3= 6.06, r4= 6.56,
 igr2=1647,1648,
 &end
#
# 105 GLU- HN    106 VAL  HN      4.50                
 &rst
  ixpk= 0, nxpk= 0, iat=1640,1655, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 105 GLU- HN    106 VAL  QG1     7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=1640,  -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr2=1661,1662,1663,
 &end
#
# 105 GLU- HN    106 VAL  QG2     7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=1640,  -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr2=1665,1666,1667,
 &end
#
# 105 GLU- HA    107 ASP- HN      4.40                
 &rst
  ixpk= 0, nxpk= 0, iat=1642,1671, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,  &end
#
# 105 GLU- QB    108 GLN  HN      7.50                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1683, r1= 1.30, r2= 1.80, r3= 8.42, r4= 8.92,
 igr1=1644,1645,
 &end
#
# 105 GLU- QG    106 VAL  HN      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1655, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1647,1648,
 &end
#
# 106 VAL  HN    106 VAL  HB      4.10                
 &rst
  ixpk= 0, nxpk= 0, iat=1655,1659, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,  &end
#
# 106 VAL  HA    108 GLN  HN      5.90                
 &rst
  ixpk= 0, nxpk= 0, iat=1657,1683, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,  &end
#
# 106 VAL  HA    109 VAL  HN      6.30                
 &rst
  ixpk= 0, nxpk= 0, iat=1657,1700, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,  &end
#
# 106 VAL  HA    109 VAL  HB      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat=1657,1704, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
# 106 VAL  HA    109 VAL  QQG     9.16                
 &rst
  ixpk= 0, nxpk= 0, iat=1657,  -1, r1= 1.30, r2= 1.80, r3=12.35, r4=12.85,
 igr2=1706,1707,1708,1710,1711,1712,
 &end
#
# 106 VAL  HB    107 ASP- HN      4.10                
 &rst
  ixpk= 0, nxpk= 0, iat=1659,1671, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,  &end
#
# 106 VAL  QG1   107 ASP- HN      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1671, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr1=1661,1662,1663,
 &end
#
# 106 VAL  QG1   110 ALA  HN      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1716, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr1=1661,1662,1663,
 &end
#
# 106 VAL  QG2   107 ASP- HN      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1671, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr1=1665,1666,1667,
 &end
#
# 106 VAL  QG2   110 ALA  HN      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1716, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr1=1665,1666,1667,
 &end
#
# 106 VAL  QQG   107 ASP- HN      7.04                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1671, r1= 1.30, r2= 1.80, r3= 9.49, r4= 9.99,
 igr1=1661,1662,1663,1665,1666,1667,
 &end
#
# 106 VAL  QQG   108 GLN  HN      9.06                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1683, r1= 1.30, r2= 1.80, r3=12.21, r4=12.71,
 igr1=1661,1662,1663,1665,1666,1667,
 &end
#
# 106 VAL  QQG   109 VAL  HN      9.16                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1700, r1= 1.30, r2= 1.80, r3=12.35, r4=12.85,
 igr1=1661,1662,1663,1665,1666,1667,
 &end
#
# 106 VAL  QQG   110 ALA  HN      7.24                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1716, r1= 1.30, r2= 1.80, r3= 9.76, r4=10.26,
 igr1=1661,1662,1663,1665,1666,1667,
 &end
#
# 106 VAL  QQG   110 ALA  QB      8.66                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=14.02, r4=14.52,
 igr1=1661,1662,1663,1665,1666,1667,
 igr2=1720,1721,1722,
 &end
#
# 107 ASP- HN    108 GLN  HN      4.10                
 &rst
  ixpk= 0, nxpk= 0, iat=1671,1683, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,  &end
#
# 107 ASP- HN    109 VAL  HN      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat=1671,1700, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
# 107 ASP- HA    110 ALA  HN      6.10                
 &rst
  ixpk= 0, nxpk= 0, iat=1673,1716, r1= 1.30, r2= 1.80, r3= 6.10, r4= 6.60,  &end
#
# 107 ASP- HA    110 ALA  QB      6.20                
 &rst
  ixpk= 0, nxpk= 0, iat=1673,  -1, r1= 1.30, r2= 1.80, r3= 7.45, r4= 7.95,
 igr2=1720,1721,1722,
 &end
#
# 107 ASP- HA    117 TYR  QE      8.60                
 &rst
  ixpk= 0, nxpk= 0, iat=1673,  -1, r1= 1.30, r2= 1.80, r3= 9.65, r4=10.15,
 igr2=1852,1857,
 &end
#
# 107 ASP- HB2   108 GLN  HN      4.20                
 &rst
  ixpk= 0, nxpk= 0, iat=1675,1683, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,  &end
#
# 107 ASP- HB3   108 GLN  HN      4.20                
 &rst
  ixpk= 0, nxpk= 0, iat=1676,1683, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,  &end
#
# 108 GLN  HN    108 GLN  HG2     5.10                
 &rst
  ixpk= 0, nxpk= 0, iat=1683,1690, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,  &end
#
# 108 GLN  HN    108 GLN  HG3     5.10                
 &rst
  ixpk= 0, nxpk= 0, iat=1683,1691, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,  &end
#
# 108 GLN  HN    108 GLN  QG      4.54                
 &rst
  ixpk= 0, nxpk= 0, iat=1683,  -1, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
 igr2=1690,1691,
 &end
#
# 108 GLN  HN    108 GLN  HE21    5.10                
 &rst
  ixpk= 0, nxpk= 0, iat=1683,1695, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,  &end
#
# 108 GLN  HN    108 GLN  HE22    5.10                
 &rst
  ixpk= 0, nxpk= 0, iat=1683,1696, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,  &end
#
# 108 GLN  HN    108 GLN  QE2     4.88                
 &rst
  ixpk= 0, nxpk= 0, iat=1683,  -1, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98,
 igr2=1695,1696,
 &end
#
# 108 GLN  HN    109 VAL  HN      4.60                
 &rst
  ixpk= 0, nxpk= 0, iat=1683,1700, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,  &end
#
# 108 GLN  HN    109 VAL  QQG     7.26                
 &rst
  ixpk= 0, nxpk= 0, iat=1683,  -1, r1= 1.30, r2= 1.80, r3= 9.79, r4=10.29,
 igr2=1706,1707,1708,1710,1711,1712,
 &end
#
# 108 GLN  HN    110 ALA  HN      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat=1683,1716, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
# 108 GLN  HN    111 ARG+ HN      5.30                
 &rst
  ixpk= 0, nxpk= 0, iat=1683,1726, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,  &end
#
# 108 GLN  HN    111 ARG+ QD      7.20                
 &rst
  ixpk= 0, nxpk= 0, iat=1683,  -1, r1= 1.30, r2= 1.80, r3= 8.08, r4= 8.58,
 igr2=1736,1737,
 &end
#
# 108 GLN  HA    108 GLN  HE21    5.30                
 &rst
  ixpk= 0, nxpk= 0, iat=1685,1695, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,  &end
#
# 108 GLN  HA    108 GLN  HE22    5.30                
 &rst
  ixpk= 0, nxpk= 0, iat=1685,1696, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,  &end
#
# 108 GLN  HA    108 GLN  QE2     4.61                
 &rst
  ixpk= 0, nxpk= 0, iat=1685,  -1, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67,
 igr2=1695,1696,
 &end
#
# 108 GLN  HA    110 ALA  HN      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat=1685,1716, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
# 108 GLN  HA    111 ARG+ QD      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=1685,  -1, r1= 1.30, r2= 1.80, r3= 8.53, r4= 9.03,
 igr2=1736,1737,
 &end
#
# 108 GLN  QB    108 GLN  HE21    6.20                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1695, r1= 1.30, r2= 1.80, r3= 6.96, r4= 7.46,
 igr1=1687,1688,
 &end
#
# 108 GLN  QB    108 GLN  HE22    6.20                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1696, r1= 1.30, r2= 1.80, r3= 6.96, r4= 7.46,
 igr1=1687,1688,
 &end
#
# 108 GLN  QB    112 ALA  HN      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1750, r1= 1.30, r2= 1.80, r3= 8.53, r4= 9.03,
 igr1=1687,1688,
 &end
#
# 108 GLN  HG2   109 VAL  HN      5.80                
 &rst
  ixpk= 0, nxpk= 0, iat=1690,1700, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,  &end
#
# 108 GLN  HG2   112 ALA  HN      6.20                
 &rst
  ixpk= 0, nxpk= 0, iat=1690,1750, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70,  &end
#
# 108 GLN  HG3   109 VAL  HN      5.80                
 &rst
  ixpk= 0, nxpk= 0, iat=1691,1700, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,  &end
#
# 108 GLN  HG3   112 ALA  HN      6.20                
 &rst
  ixpk= 0, nxpk= 0, iat=1691,1750, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70,  &end
#
# 108 GLN  QG    109 VAL  HN      5.30                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1700, r1= 1.30, r2= 1.80, r3= 5.95, r4= 6.45,
 igr1=1690,1691,
 &end
#
# 108 GLN  QG    112 ALA  HN      5.89                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1750, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=1690,1691,
 &end
#
# 108 GLN  HE21  112 ALA  QB      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=1695,  -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr2=1754,1755,1756,
 &end
#
# 108 GLN  HE22  112 ALA  QB      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=1696,  -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr2=1754,1755,1756,
 &end
#
# 108 GLN  QE2   109 VAL  HA      7.17                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1702, r1= 1.30, r2= 1.80, r3= 8.05, r4= 8.55,
 igr1=1695,1696,
 &end
#
# 108 GLN  QE2   112 ALA  QB      7.02                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.46, r4= 9.96,
 igr1=1695,1696,
 igr2=1754,1755,1756,
 &end
#
# 109 VAL  HN    110 ALA  HN      4.40                
 &rst
  ixpk= 0, nxpk= 0, iat=1700,1716, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,  &end
#
# 109 VAL  HN    111 ARG+ HN      6.00                
 &rst
  ixpk= 0, nxpk= 0, iat=1700,1726, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
# 109 VAL  HA    112 ALA  HN      6.10                
 &rst
  ixpk= 0, nxpk= 0, iat=1702,1750, r1= 1.30, r2= 1.80, r3= 6.10, r4= 6.60,  &end
#
# 109 VAL  HA    112 ALA  QB      4.30                
 &rst
  ixpk= 0, nxpk= 0, iat=1702,  -1, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
 igr2=1754,1755,1756,
 &end
#
# 109 VAL  HA    113 TYR  QE      8.60                
 &rst
  ixpk= 0, nxpk= 0, iat=1702,  -1, r1= 1.30, r2= 1.80, r3= 9.65, r4=10.15,
 igr2=1770,1775,
 &end
#
# 109 VAL  HB    110 ALA  HN      4.70                
 &rst
  ixpk= 0, nxpk= 0, iat=1704,1716, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,  &end
#
# 109 VAL  QG1   110 ALA  HN      7.10                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1716, r1= 1.30, r2= 1.80, r3= 8.53, r4= 9.03,
 igr1=1706,1707,1708,
 &end
#
# 109 VAL  QG2   110 ALA  HN      7.10                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1716, r1= 1.30, r2= 1.80, r3= 8.53, r4= 9.03,
 igr1=1710,1711,1712,
 &end
#
# 109 VAL  QQG   110 ALA  HN      6.34                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1716, r1= 1.30, r2= 1.80, r3= 8.55, r4= 9.05,
 igr1=1706,1707,1708,1710,1711,1712,
 &end
#
# 109 VAL  QQG   112 ALA  HN      8.96                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1750, r1= 1.30, r2= 1.80, r3=12.08, r4=12.58,
 igr1=1706,1707,1708,1710,1711,1712,
 &end
#
# 109 VAL  QQG   113 TYR  QD     11.16                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=16.89, r4=17.39,
 igr1=1706,1707,1708,1710,1711,1712,
 igr2=1768,1777,
 &end
#
# 109 VAL  QQG   113 TYR  QE     11.16                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=16.89, r4=17.39,
 igr1=1706,1707,1708,1710,1711,1712,
 igr2=1770,1775,
 &end
#
# 109 VAL  QQG   113 TYR  HH      9.16                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1773, r1= 1.30, r2= 1.80, r3=12.35, r4=12.85,
 igr1=1706,1707,1708,1710,1711,1712,
 &end
#
# 110 ALA  HN    111 ARG+ HN      4.70                
 &rst
  ixpk= 0, nxpk= 0, iat=1716,1726, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,  &end
#
# 110 ALA  HN    111 ARG+ HB2     5.60                
 &rst
  ixpk= 0, nxpk= 0, iat=1716,1730, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,  &end
#
# 110 ALA  HN    111 ARG+ HB3     5.60                
 &rst
  ixpk= 0, nxpk= 0, iat=1716,1731, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,  &end
#
# 110 ALA  HN    111 ARG+ QB      5.24                
 &rst
  ixpk= 0, nxpk= 0, iat=1716,  -1, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
 igr2=1730,1731,
 &end
#
# 110 ALA  HN    112 ALA  HN      5.50                
 &rst
  ixpk= 0, nxpk= 0, iat=1716,1750, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 110 ALA  HN    112 ALA  QB      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=1716,  -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr2=1754,1755,1756,
 &end
#
# 110 ALA  HN    113 TYR  QD      8.60                
 &rst
  ixpk= 0, nxpk= 0, iat=1716,  -1, r1= 1.30, r2= 1.80, r3= 9.65, r4=10.15,
 igr2=1768,1777,
 &end
#
# 110 ALA  HN    115 VAL  QQG     9.16                
 &rst
  ixpk= 0, nxpk= 0, iat=1716,  -1, r1= 1.30, r2= 1.80, r3=12.35, r4=12.85,
 igr2=1811,1812,1813,1815,1816,1817,
 &end
#
# 110 ALA  HA    112 ALA  HN      6.20                
 &rst
  ixpk= 0, nxpk= 0, iat=1718,1750, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70,  &end
#
# 110 ALA  HA    113 TYR  HN      6.40                
 &rst
  ixpk= 0, nxpk= 0, iat=1718,1760, r1= 1.30, r2= 1.80, r3= 6.40, r4= 6.90,  &end
#
# 110 ALA  HA    115 VAL  HB      5.50                
 &rst
  ixpk= 0, nxpk= 0, iat=1718,1809, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 110 ALA  HA    115 VAL  QG1     7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=1718,  -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr2=1811,1812,1813,
 &end
#
# 110 ALA  HA    115 VAL  QG2     7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=1718,  -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr2=1815,1816,1817,
 &end
#
# 110 ALA  QB    111 ARG+ HN      3.80                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1726, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06,
 igr1=1720,1721,1722,
 &end
#
# 110 ALA  QB    117 TYR  QD      9.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=12.94, r4=13.44,
 igr1=1720,1721,1722,
 igr2=1850,1859,
 &end
#
# 110 ALA  QB    117 TYR  QE      9.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=12.94, r4=13.44,
 igr1=1720,1721,1722,
 igr2=1852,1857,
 &end
#
# 111 ARG+ HN    111 ARG+ QB      3.91                
 &rst
  ixpk= 0, nxpk= 0, iat=1726,  -1, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89,
 igr2=1730,1731,
 &end
#
# 111 ARG+ HN    111 ARG+ QG      5.70                
 &rst
  ixpk= 0, nxpk= 0, iat=1726,  -1, r1= 1.30, r2= 1.80, r3= 6.40, r4= 6.90,
 igr2=1733,1734,
 &end
#
# 111 ARG+ HN    111 ARG+ QD      7.30                
 &rst
  ixpk= 0, nxpk= 0, iat=1726,  -1, r1= 1.30, r2= 1.80, r3= 8.19, r4= 8.69,
 igr2=1736,1737,
 &end
#
# 111 ARG+ HN    112 ALA  HN      4.50                
 &rst
  ixpk= 0, nxpk= 0, iat=1726,1750, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 111 ARG+ HA    111 ARG+ QD      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=1728,  -1, r1= 1.30, r2= 1.80, r3= 8.53, r4= 9.03,
 igr2=1736,1737,
 &end
#
# 111 ARG+ HB2   112 ALA  HN      4.70                
 &rst
  ixpk= 0, nxpk= 0, iat=1730,1750, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,  &end
#
# 111 ARG+ HB3   112 ALA  HN      4.70                
 &rst
  ixpk= 0, nxpk= 0, iat=1731,1750, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,  &end
#
# 111 ARG+ QG    112 ALA  HN      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1750, r1= 1.30, r2= 1.80, r3= 8.53, r4= 9.03,
 igr1=1733,1734,
 &end
#
# 111 ARG+ QD    112 ALA  HN      7.30                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1750, r1= 1.30, r2= 1.80, r3= 8.19, r4= 8.69,
 igr1=1736,1737,
 &end
#
# 112 ALA  HN    112 ALA  QB      3.40                
 &rst
  ixpk= 0, nxpk= 0, iat=1750,  -1, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58,
 igr2=1754,1755,1756,
 &end
#
# 112 ALA  HN    113 TYR  QD      8.60                
 &rst
  ixpk= 0, nxpk= 0, iat=1750,  -1, r1= 1.30, r2= 1.80, r3= 9.65, r4=10.15,
 igr2=1768,1777,
 &end
#
# 112 ALA  HN    114 ARG+ HN      6.10                
 &rst
  ixpk= 0, nxpk= 0, iat=1750,1781, r1= 1.30, r2= 1.80, r3= 6.10, r4= 6.60,  &end
#
# 112 ALA  HN    115 VAL  QQG     9.16                
 &rst
  ixpk= 0, nxpk= 0, iat=1750,  -1, r1= 1.30, r2= 1.80, r3=12.35, r4=12.85,
 igr2=1811,1812,1813,1815,1816,1817,
 &end
#
# 112 ALA  HA    113 TYR  QE      8.60                
 &rst
  ixpk= 0, nxpk= 0, iat=1752,  -1, r1= 1.30, r2= 1.80, r3= 9.65, r4=10.15,
 igr2=1770,1775,
 &end
#
# 112 ALA  QB    113 TYR  HN      4.10                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1760, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,
 igr1=1754,1755,1756,
 &end
#
# 112 ALA  QB    113 TYR  QD      9.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=12.94, r4=13.44,
 igr1=1754,1755,1756,
 igr2=1768,1777,
 &end
#
# 112 ALA  QB    113 TYR  QE      9.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=12.94, r4=13.44,
 igr1=1754,1755,1756,
 igr2=1770,1775,
 &end
#
# 112 ALA  QB    113 TYR  HH      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1773, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr1=1754,1755,1756,
 &end
#
# 112 ALA  QB    114 ARG+ HN      5.90                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1781, r1= 1.30, r2= 1.80, r3= 7.09, r4= 7.59,
 igr1=1754,1755,1756,
 &end
#
# 113 TYR  HN    113 TYR  QE      7.20                
 &rst
  ixpk= 0, nxpk= 0, iat=1760,  -1, r1= 1.30, r2= 1.80, r3= 8.08, r4= 8.58,
 igr2=1770,1775,
 &end
#
# 113 TYR  HN    113 TYR  HH      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat=1760,1773, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
# 113 TYR  HN    114 ARG+ HN      4.70                
 &rst
  ixpk= 0, nxpk= 0, iat=1760,1781, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,  &end
#
# 113 TYR  HN    115 VAL  HN      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat=1760,1805, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
# 113 TYR  HN    115 VAL  QQG     9.16                
 &rst
  ixpk= 0, nxpk= 0, iat=1760,  -1, r1= 1.30, r2= 1.80, r3=12.35, r4=12.85,
 igr2=1811,1812,1813,1815,1816,1817,
 &end
#
# 113 TYR  HA    113 TYR  HH      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat=1762,1773, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
# 113 TYR  HA    115 VAL  QQG     9.06                
 &rst
  ixpk= 0, nxpk= 0, iat=1762,  -1, r1= 1.30, r2= 1.80, r3=12.21, r4=12.71,
 igr2=1811,1812,1813,1815,1816,1817,
 &end
#
# 113 TYR  QB    113 TYR  HH      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1773, r1= 1.30, r2= 1.80, r3= 8.53, r4= 9.03,
 igr1=1764,1765,
 &end
#
# 113 TYR  QB    115 VAL  HB      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1809, r1= 1.30, r2= 1.80, r3= 8.53, r4= 9.03,
 igr1=1764,1765,
 &end
#
# 113 TYR  QD    113 TYR  HH      8.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1773, r1= 1.30, r2= 1.80, r3= 9.65, r4=10.15,
 igr1=1768,1777,
 &end
#
# 113 TYR  QD    115 VAL  QQG    11.16                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=16.89, r4=17.39,
 igr1=1768,1777,
 igr2=1811,1812,1813,1815,1816,1817,
 &end
#
# 113 TYR  QE    113 TYR  HH      8.10                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1773, r1= 1.30, r2= 1.80, r3= 9.09, r4= 9.59,
 igr1=1770,1775,
 &end
#
# 113 TYR  QE    115 VAL  QQG    11.16                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=16.89, r4=17.39,
 igr1=1770,1775,
 igr2=1811,1812,1813,1815,1816,1817,
 &end
#
# 113 TYR  HH    137 TYR  QD      8.60                
 &rst
  ixpk= 0, nxpk= 0, iat=1773,  -1, r1= 1.30, r2= 1.80, r3= 9.65, r4=10.15,
 igr2=2159,2168,
 &end
#
# 113 TYR  HH    139 ILE  QG2     7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=1773,  -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr2=2197,2198,2199,
 &end
#
# 113 TYR  HH    139 ILE  HG12    6.60                
 &rst
  ixpk= 0, nxpk= 0, iat=1773,2201, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
# 113 TYR  HH    139 ILE  HG13    6.60                
 &rst
  ixpk= 0, nxpk= 0, iat=1773,2202, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
# 113 TYR  HH    139 ILE  QD1     7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=1773,  -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr2=2204,2205,2206,
 &end
#
# 113 TYR  HH    145 PHE  QD      8.60                
 &rst
  ixpk= 0, nxpk= 0, iat=1773,  -1, r1= 1.30, r2= 1.80, r3= 9.65, r4=10.15,
 igr2=2273,2281,
 &end
#
# 114 ARG+ HN    114 ARG+ HB2     4.10                
 &rst
  ixpk= 0, nxpk= 0, iat=1781,1785, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,  &end
#
# 114 ARG+ HN    114 ARG+ HB3     4.10                
 &rst
  ixpk= 0, nxpk= 0, iat=1781,1786, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,  &end
#
# 114 ARG+ HN    114 ARG+ QD      7.00                
 &rst
  ixpk= 0, nxpk= 0, iat=1781,  -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr2=1791,1792,
 &end
#
# 114 ARG+ HN    115 VAL  HN      4.90                
 &rst
  ixpk= 0, nxpk= 0, iat=1781,1805, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,  &end
#
# 114 ARG+ HN    115 VAL  QQG     9.16                
 &rst
  ixpk= 0, nxpk= 0, iat=1781,  -1, r1= 1.30, r2= 1.80, r3=12.35, r4=12.85,
 igr2=1811,1812,1813,1815,1816,1817,
 &end
#
# 114 ARG+ HA    114 ARG+ QD      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=1783,  -1, r1= 1.30, r2= 1.80, r3= 8.53, r4= 9.03,
 igr2=1791,1792,
 &end
#
# 115 VAL  QG1   117 TYR  QD      9.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=12.94, r4=13.44,
 igr1=1811,1812,1813,
 igr2=1850,1859,
 &end
#
# 115 VAL  QG1   117 TYR  QE      9.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=12.94, r4=13.44,
 igr1=1811,1812,1813,
 igr2=1852,1857,
 &end
#
# 115 VAL  QG2   117 TYR  QD      9.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=12.94, r4=13.44,
 igr1=1815,1816,1817,
 igr2=1850,1859,
 &end
#
# 115 VAL  QG2   117 TYR  QE      9.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=12.94, r4=13.44,
 igr1=1815,1816,1817,
 igr2=1852,1857,
 &end
#
# 115 VAL  QQG   130 VAL  QQG    11.72                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=21.30, r4=21.80,
 igr1=1811,1812,1813,1815,1816,1817,
 igr2=2043,2044,2045,2047,2048,2049,
 &end
#
# 115 VAL  QQG   132 HIS  HA      9.16                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2067, r1= 1.30, r2= 1.80, r3=12.35, r4=12.85,
 igr1=1811,1812,1813,1815,1816,1817,
 &end
#
# 115 VAL  QQG   133 THR  HA      9.16                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2084, r1= 1.30, r2= 1.80, r3=12.35, r4=12.85,
 igr1=1811,1812,1813,1815,1816,1817,
 &end
#
# 115 VAL  QQG   137 TYR  QD     11.16                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=16.89, r4=17.39,
 igr1=1811,1812,1813,1815,1816,1817,
 igr2=2159,2168,
 &end
#
# 115 VAL  QQG   137 TYR  QE     11.16                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=16.89, r4=17.39,
 igr1=1811,1812,1813,1815,1816,1817,
 igr2=2161,2166,
 &end
#
# 116 TYR  QD    132 HIS  HA      8.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2067, r1= 1.30, r2= 1.80, r3= 9.65, r4=10.15,
 igr1=1829,1838,
 &end
#
# 116 TYR  QD    133 THR  QG2     9.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=12.94, r4=13.44,
 igr1=1829,1838,
 igr2=2088,2089,2090,
 &end
#
# 116 TYR  QE    132 HIS  HA      8.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2067, r1= 1.30, r2= 1.80, r3= 9.65, r4=10.15,
 igr1=1831,1836,
 &end
#
# 116 TYR  QE    133 THR  QG2     9.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=12.94, r4=13.44,
 igr1=1831,1836,
 igr2=2088,2089,2090,
 &end
#
# 117 TYR  HA    132 HIS  HA      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat=1844,2067, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
# 117 TYR  QB    130 VAL  QQG    10.16                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=15.37, r4=15.87,
 igr1=1846,1847,
 igr2=2043,2044,2045,2047,2048,2049,
 &end
#
# 117 TYR  QB    132 HIS  HA      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2067, r1= 1.30, r2= 1.80, r3= 8.53, r4= 9.03,
 igr1=1846,1847,
 &end
#
# 117 TYR  QD    118 SER  HN      8.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1863, r1= 1.30, r2= 1.80, r3= 9.65, r4=10.15,
 igr1=1850,1859,
 &end
#
# 117 TYR  QD    132 HIS  HA      8.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2067, r1= 1.30, r2= 1.80, r3= 9.65, r4=10.15,
 igr1=1850,1859,
 &end
#
# 118 SER  HN    130 VAL  QQG     8.76                
 &rst
  ixpk= 0, nxpk= 0, iat=1863,  -1, r1= 1.30, r2= 1.80, r3=11.81, r4=12.31,
 igr2=2043,2044,2045,2047,2048,2049,
 &end
#
# 118 SER  HN    131 ASP- HB2     6.60                
 &rst
  ixpk= 0, nxpk= 0, iat=1863,2057, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
# 118 SER  HN    131 ASP- HB3     6.60                
 &rst
  ixpk= 0, nxpk= 0, iat=1863,2058, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
# 118 SER  HN    132 HIS  HA      5.70                
 &rst
  ixpk= 0, nxpk= 0, iat=1863,2067, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,  &end
#
# 118 SER  HN    132 HIS  QB      6.98                
 &rst
  ixpk= 0, nxpk= 0, iat=1863,  -1, r1= 1.30, r2= 1.80, r3= 7.83, r4= 8.33,
 igr2=2069,2070,
 &end
#
# 118 SER  HB2   131 ASP- HB2     6.60                
 &rst
  ixpk= 0, nxpk= 0, iat=1867,2057, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
# 118 SER  HB2   131 ASP- HB3     6.60                
 &rst
  ixpk= 0, nxpk= 0, iat=1867,2058, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
# 118 SER  HB3   131 ASP- HB2     6.60                
 &rst
  ixpk= 0, nxpk= 0, iat=1868,2057, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
# 118 SER  HB3   131 ASP- HB3     6.60                
 &rst
  ixpk= 0, nxpk= 0, iat=1868,2058, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
# 119 PRO  QB    128 TYR  QD      8.68                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.94, r4=11.44,
 igr1=1881,1882,
 igr2=2005,2014,
 &end
#
# 119 PRO  QB    128 TYR  QE      8.58                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.81, r4=11.31,
 igr1=1881,1882,
 igr2=2007,2012,
 &end
#
# 119 PRO  QB    130 VAL  QQG    10.04                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=15.19, r4=15.69,
 igr1=1881,1882,
 igr2=2043,2044,2045,2047,2048,2049,
 &end
#
# 120 GLY  HN    121 PRO  HD2     6.60                
 &rst
  ixpk= 0, nxpk= 0, iat=1888,1896, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
# 120 GLY  HN    121 PRO  HD3     6.60                
 &rst
  ixpk= 0, nxpk= 0, iat=1888,1897, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
# 120 GLY  HN    128 TYR  QD      8.60                
 &rst
  ixpk= 0, nxpk= 0, iat=1888,  -1, r1= 1.30, r2= 1.80, r3= 9.65, r4=10.15,
 igr2=2005,2014,
 &end
#
# 120 GLY  HN    128 TYR  QE      8.60                
 &rst
  ixpk= 0, nxpk= 0, iat=1888,  -1, r1= 1.30, r2= 1.80, r3= 9.65, r4=10.15,
 igr2=2007,2012,
 &end
#
# 120 GLY  HN    130 VAL  HA      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat=1888,2039, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
# 120 GLY  HN    130 VAL  QG1     7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=1888,  -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr2=2043,2044,2045,
 &end
#
# 120 GLY  HN    130 VAL  QG2     7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=1888,  -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr2=2047,2048,2049,
 &end
#
# 121 PRO  HB2   122 LYS+ HN      4.50                
 &rst
  ixpk= 0, nxpk= 0, iat=1902,1909, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 121 PRO  HB3   122 LYS+ HN      4.50                
 &rst
  ixpk= 0, nxpk= 0, iat=1903,1909, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 121 PRO  QB    122 LYS+ HN      4.31                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1909, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,
 igr1=1902,1903,
 &end
#
# 122 LYS+ HN    122 LYS+ HG2     4.70                
 &rst
  ixpk= 0, nxpk= 0, iat=1909,1916, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,  &end
#
# 122 LYS+ HN    122 LYS+ HG3     4.70                
 &rst
  ixpk= 0, nxpk= 0, iat=1909,1917, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,  &end
#
# 122 LYS+ HN    122 LYS+ QG      4.32                
 &rst
  ixpk= 0, nxpk= 0, iat=1909,  -1, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
 igr2=1916,1917,
 &end
#
# 122 LYS+ HN    122 LYS+ QD      7.50                
 &rst
  ixpk= 0, nxpk= 0, iat=1909,  -1, r1= 1.30, r2= 1.80, r3= 8.42, r4= 8.92,
 igr2=1919,1920,
 &end
#
# 122 LYS+ HN    122 LYS+ HE2     5.70                
 &rst
  ixpk= 0, nxpk= 0, iat=1909,1922, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,  &end
#
# 122 LYS+ HN    122 LYS+ HE3     5.70                
 &rst
  ixpk= 0, nxpk= 0, iat=1909,1923, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,  &end
#
# 122 LYS+ HN    122 LYS+ QE      5.48                
 &rst
  ixpk= 0, nxpk= 0, iat=1909,  -1, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65,
 igr2=1922,1923,
 &end
#
# 122 LYS+ HN    123 ASP- HN      4.80                
 &rst
  ixpk= 0, nxpk= 0, iat=1909,1931, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,  &end
#
# 122 LYS+ HN    128 TYR  QD      8.60                
 &rst
  ixpk= 0, nxpk= 0, iat=1909,  -1, r1= 1.30, r2= 1.80, r3= 9.65, r4=10.15,
 igr2=2005,2014,
 &end
#
# 122 LYS+ HN    128 TYR  QE      8.60                
 &rst
  ixpk= 0, nxpk= 0, iat=1909,  -1, r1= 1.30, r2= 1.80, r3= 9.65, r4=10.15,
 igr2=2007,2012,
 &end
#
# 122 LYS+ HA    122 LYS+ QD      6.80                
 &rst
  ixpk= 0, nxpk= 0, iat=1911,  -1, r1= 1.30, r2= 1.80, r3= 7.63, r4= 8.13,
 igr2=1919,1920,
 &end
#
# 122 LYS+ HA    122 LYS+ HE2     6.60                
 &rst
  ixpk= 0, nxpk= 0, iat=1911,1922, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
# 122 LYS+ HA    122 LYS+ HE3     6.60                
 &rst
  ixpk= 0, nxpk= 0, iat=1911,1923, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
# 122 LYS+ HA    122 LYS+ QE      5.88                
 &rst
  ixpk= 0, nxpk= 0, iat=1911,  -1, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,
 igr2=1922,1923,
 &end
#
# 122 LYS+ QB    122 LYS+ HE2     7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1922, r1= 1.30, r2= 1.80, r3= 8.53, r4= 9.03,
 igr1=1913,1914,
 &end
#
# 122 LYS+ QB    122 LYS+ HE3     7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1923, r1= 1.30, r2= 1.80, r3= 8.53, r4= 9.03,
 igr1=1913,1914,
 &end
#
# 122 LYS+ QB    123 ASP- HN      5.70                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1931, r1= 1.30, r2= 1.80, r3= 6.40, r4= 6.90,
 igr1=1913,1914,
 &end
#
# 122 LYS+ QB    126 GLU- HN      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1970, r1= 1.30, r2= 1.80, r3= 8.53, r4= 9.03,
 igr1=1913,1914,
 &end
#
# 122 LYS+ QB    126 GLU- HA      7.40                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1972, r1= 1.30, r2= 1.80, r3= 8.31, r4= 8.81,
 igr1=1913,1914,
 &end
#
# 122 LYS+ QB    128 TYR  QD      9.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=12.10, r4=12.60,
 igr1=1913,1914,
 igr2=2005,2014,
 &end
#
# 122 LYS+ HG2   123 ASP- HN      6.10                
 &rst
  ixpk= 0, nxpk= 0, iat=1916,1931, r1= 1.30, r2= 1.80, r3= 6.10, r4= 6.60,  &end
#
# 122 LYS+ HG3   123 ASP- HN      6.10                
 &rst
  ixpk= 0, nxpk= 0, iat=1917,1931, r1= 1.30, r2= 1.80, r3= 6.10, r4= 6.60,  &end
#
# 122 LYS+ QD    123 ASP- HN      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1931, r1= 1.30, r2= 1.80, r3= 8.53, r4= 9.03,
 igr1=1919,1920,
 &end
#
# 122 LYS+ QD    126 GLU- HN      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1970, r1= 1.30, r2= 1.80, r3= 8.53, r4= 9.03,
 igr1=1919,1920,
 &end
#
# 122 LYS+ QD    126 GLU- HA      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1972, r1= 1.30, r2= 1.80, r3= 8.53, r4= 9.03,
 igr1=1919,1920,
 &end
#
# 122 LYS+ HE2   123 ASP- HN      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat=1922,1931, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
# 122 LYS+ HE2   128 TYR  QD      8.50                
 &rst
  ixpk= 0, nxpk= 0, iat=1922,  -1, r1= 1.30, r2= 1.80, r3= 9.54, r4=10.04,
 igr2=2005,2014,
 &end
#
# 122 LYS+ HE2   128 TYR  QE      8.60                
 &rst
  ixpk= 0, nxpk= 0, iat=1922,  -1, r1= 1.30, r2= 1.80, r3= 9.65, r4=10.15,
 igr2=2007,2012,
 &end
#
# 122 LYS+ HE3   123 ASP- HN      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat=1923,1931, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
# 122 LYS+ HE3   128 TYR  QD      8.50                
 &rst
  ixpk= 0, nxpk= 0, iat=1923,  -1, r1= 1.30, r2= 1.80, r3= 9.54, r4=10.04,
 igr2=2005,2014,
 &end
#
# 122 LYS+ HE3   128 TYR  QE      8.60                
 &rst
  ixpk= 0, nxpk= 0, iat=1923,  -1, r1= 1.30, r2= 1.80, r3= 9.65, r4=10.15,
 igr2=2007,2012,
 &end
#
# 122 LYS+ QE    123 ASP- HN      5.97                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1931, r1= 1.30, r2= 1.80, r3= 6.70, r4= 7.20,
 igr1=1922,1923,
 &end
#
# 122 LYS+ QE    128 TYR  QD      8.31                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.47, r4=10.97,
 igr1=1922,1923,
 igr2=2005,2014,
 &end
#
# 123 ASP- HN    125 ASP- HN      5.80                
 &rst
  ixpk= 0, nxpk= 0, iat=1931,1958, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,  &end
#
# 123 ASP- HN    126 GLU- HN      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat=1931,1970, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
# 123 ASP- HN    126 GLU- HA      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat=1931,1972, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
# 123 ASP- HN    126 GLU- QG      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=1931,  -1, r1= 1.30, r2= 1.80, r3= 8.53, r4= 9.03,
 igr2=1977,1978,
 &end
#
# 123 ASP- HN    128 TYR  QD      8.60                
 &rst
  ixpk= 0, nxpk= 0, iat=1931,  -1, r1= 1.30, r2= 1.80, r3= 9.65, r4=10.15,
 igr2=2005,2014,
 &end
#
# 123 ASP- HB2   124 GLU- HN      4.80                
 &rst
  ixpk= 0, nxpk= 0, iat=1935,1943, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,  &end
#
# 123 ASP- HB3   124 GLU- HN      4.80                
 &rst
  ixpk= 0, nxpk= 0, iat=1936,1943, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,  &end
#
# 123 ASP- QB    125 ASP- HN      7.18                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1958, r1= 1.30, r2= 1.80, r3= 8.06, r4= 8.56,
 igr1=1935,1936,
 &end
#
# 124 GLU- HN    124 GLU- QG      7.10                
 &rst
  ixpk= 0, nxpk= 0, iat=1943,  -1, r1= 1.30, r2= 1.80, r3= 7.97, r4= 8.47,
 igr2=1950,1951,
 &end
#
# 124 GLU- HN    125 ASP- HN      5.60                
 &rst
  ixpk= 0, nxpk= 0, iat=1943,1958, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,  &end
#
# 124 GLU- HN    126 GLU- HN      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat=1943,1970, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
# 124 GLU- HA    126 GLU- HN      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat=1945,1970, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
# 124 GLU- HB2   125 ASP- HN      5.60                
 &rst
  ixpk= 0, nxpk= 0, iat=1947,1958, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,  &end
#
# 124 GLU- HB3   125 ASP- HN      5.60                
 &rst
  ixpk= 0, nxpk= 0, iat=1948,1958, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,  &end
#
# 124 GLU- QG    125 ASP- HN      7.40                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1958, r1= 1.30, r2= 1.80, r3= 8.31, r4= 8.81,
 igr1=1950,1951,
 &end
#
# 125 ASP- HN    126 GLU- HN      4.50                
 &rst
  ixpk= 0, nxpk= 0, iat=1958,1970, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 125 ASP- HN    127 ASP- HN      6.50                
 &rst
  ixpk= 0, nxpk= 0, iat=1958,1985, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,  &end
#
# 125 ASP- HN    127 ASP- HB2     6.60                
 &rst
  ixpk= 0, nxpk= 0, iat=1958,1989, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
# 125 ASP- HN    127 ASP- HB3     6.60                
 &rst
  ixpk= 0, nxpk= 0, iat=1958,1990, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
# 125 ASP- HN    127 ASP- QB      6.29                
 &rst
  ixpk= 0, nxpk= 0, iat=1958,  -1, r1= 1.30, r2= 1.80, r3= 7.06, r4= 7.56,
 igr2=1989,1990,
 &end
#
# 126 GLU- HN    126 GLU- QG      7.30                
 &rst
  ixpk= 0, nxpk= 0, iat=1970,  -1, r1= 1.30, r2= 1.80, r3= 8.19, r4= 8.69,
 igr2=1977,1978,
 &end
#
# 126 GLU- HN    127 ASP- HN      5.60                
 &rst
  ixpk= 0, nxpk= 0, iat=1970,1985, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,  &end
#
# 127 ASP- HN    128 TYR  QD      8.60                
 &rst
  ixpk= 0, nxpk= 0, iat=1985,  -1, r1= 1.30, r2= 1.80, r3= 9.65, r4=10.15,
 igr2=2005,2014,
 &end
#
# 127 ASP- HA    128 TYR  QD      8.60                
 &rst
  ixpk= 0, nxpk= 0, iat=1987,  -1, r1= 1.30, r2= 1.80, r3= 9.65, r4=10.15,
 igr2=2005,2014,
 &end
#
# 127 ASP- HB2   128 TYR  HN      5.90                
 &rst
  ixpk= 0, nxpk= 0, iat=1989,1997, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,  &end
#
# 127 ASP- HB3   128 TYR  HN      5.90                
 &rst
  ixpk= 0, nxpk= 0, iat=1990,1997, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,  &end
#
# 128 TYR  HN    128 TYR  QE      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=1997,  -1, r1= 1.30, r2= 1.80, r3= 8.53, r4= 9.03,
 igr2=2007,2012,
 &end
#
# 128 TYR  HN    129 ILE  HN      6.10                
 &rst
  ixpk= 0, nxpk= 0, iat=1997,2018, r1= 1.30, r2= 1.80, r3= 6.10, r4= 6.60,  &end
#
# 128 TYR  HN    129 ILE  QG2     7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=1997,  -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr2=2024,2025,2026,
 &end
#
# 128 TYR  QD    129 ILE  HN      8.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2018, r1= 1.30, r2= 1.80, r3= 9.65, r4=10.15,
 igr1=2005,2014,
 &end
#
# 128 TYR  QD    130 VAL  QG1     9.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=12.94, r4=13.44,
 igr1=2005,2014,
 igr2=2043,2044,2045,
 &end
#
# 128 TYR  QD    130 VAL  QG2     9.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=12.94, r4=13.44,
 igr1=2005,2014,
 igr2=2047,2048,2049,
 &end
#
# 129 ILE  HN    129 ILE  QG1     7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=2018,  -1, r1= 1.30, r2= 1.80, r3= 8.53, r4= 9.03,
 igr2=2028,2029,
 &end
#
# 129 ILE  HN    129 ILE  QD1     6.90                
 &rst
  ixpk= 0, nxpk= 0, iat=2018,  -1, r1= 1.30, r2= 1.80, r3= 8.29, r4= 8.79,
 igr2=2031,2032,2033,
 &end
#
# 129 ILE  HB    130 VAL  HN      6.20                
 &rst
  ixpk= 0, nxpk= 0, iat=2022,2037, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70,  &end
#
# 130 VAL  QG1   131 ASP- HN      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2053, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr1=2043,2044,2045,
 &end
#
# 130 VAL  QG2   131 ASP- HN      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2053, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr1=2047,2048,2049,
 &end
#
# 130 VAL  QQG   132 HIS  HN      9.16                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2065, r1= 1.30, r2= 1.80, r3=12.35, r4=12.85,
 igr1=2043,2044,2045,2047,2048,2049,
 &end
#
# 130 VAL  QQG   132 HIS  HA      9.16                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2067, r1= 1.30, r2= 1.80, r3=12.35, r4=12.85,
 igr1=2043,2044,2045,2047,2048,2049,
 &end
#
# 131 ASP- HN    132 HIS  HD2     5.70                
 &rst
  ixpk= 0, nxpk= 0, iat=2053,2078, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,  &end
#
# 131 ASP- HB2   132 HIS  HN      6.30                
 &rst
  ixpk= 0, nxpk= 0, iat=2057,2065, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,  &end
#
# 131 ASP- HB3   132 HIS  HN      6.30                
 &rst
  ixpk= 0, nxpk= 0, iat=2058,2065, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,  &end
#
# 132 HIS  HA    132 HIS  HD1     6.60                
 &rst
  ixpk= 0, nxpk= 0, iat=2067,2073, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
# 132 HIS  HA    132 HIS  HD2     6.40                
 &rst
  ixpk= 0, nxpk= 0, iat=2067,2078, r1= 1.30, r2= 1.80, r3= 6.40, r4= 6.90,  &end
#
# 132 HIS  HA    133 THR  QG2     7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=2067,  -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr2=2088,2089,2090,
 &end
#
# 132 HIS  HB2   133 THR  HN      6.30                
 &rst
  ixpk= 0, nxpk= 0, iat=2069,2082, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,  &end
#
# 132 HIS  HB3   133 THR  HN      6.30                
 &rst
  ixpk= 0, nxpk= 0, iat=2070,2082, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,  &end
#
# 132 HIS  QB    133 THR  HN      5.58                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2082, r1= 1.30, r2= 1.80, r3= 6.26, r4= 6.76,
 igr1=2069,2070,
 &end
#
# 133 THR  HN    133 THR  QG2     4.30                
 &rst
  ixpk= 0, nxpk= 0, iat=2082,  -1, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
 igr2=2088,2089,2090,
 &end
#
# 133 THR  HB    134 ILE  HN      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat=2086,2096, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
# 134 ILE  QG2   151 GLN  QG      8.18                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=11.03, r4=11.53,
 igr1=2102,2103,2104,
 igr2=2371,2372,
 &end
#
# 134 ILE  QG2   151 GLN  HE21    7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2376, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr1=2102,2103,2104,
 &end
#
# 134 ILE  QG2   151 GLN  HE22    7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2377, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr1=2102,2103,2104,
 &end
#
# 134 ILE  QD1   151 GLN  HN      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2364, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr1=2109,2110,2111,
 &end
#
# 134 ILE  QD1   151 GLN  HE21    7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2376, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr1=2109,2110,2111,
 &end
#
# 134 ILE  QD1   151 GLN  HE22    7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2377, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr1=2109,2110,2111,
 &end
#
# 134 ILE  QD1   151 GLN  QE2     7.40                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.98, r4=10.48,
 igr1=2109,2110,2111,
 igr2=2376,2377,
 &end
#
# 135 ILE  HN    135 ILE  QG1     7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=2115,  -1, r1= 1.30, r2= 1.80, r3= 8.53, r4= 9.03,
 igr2=2125,2126,
 &end
#
# 135 ILE  HN    135 ILE  QD1     5.80                
 &rst
  ixpk= 0, nxpk= 0, iat=2115,  -1, r1= 1.30, r2= 1.80, r3= 6.97, r4= 7.47,
 igr2=2128,2129,2130,
 &end
#
# 135 ILE  QG2   136 MET  HA      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2136, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr1=2121,2122,2123,
 &end
#
# 135 ILE  QG2   137 TYR  HA      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2153, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr1=2121,2122,2123,
 &end
#
# 135 ILE  QG2   137 TYR  QD      9.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=12.94, r4=13.44,
 igr1=2121,2122,2123,
 igr2=2159,2168,
 &end
#
# 135 ILE  QG2   137 TYR  QE      8.20                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=11.05, r4=11.55,
 igr1=2121,2122,2123,
 igr2=2161,2166,
 &end
#
# 135 ILE  QG2   148 TYR  HA      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2318, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr1=2121,2122,2123,
 &end
#
# 135 ILE  QG2   148 TYR  HB2     7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2320, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr1=2121,2122,2123,
 &end
#
# 135 ILE  QG2   148 TYR  HB3     7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2321, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr1=2121,2122,2123,
 &end
#
# 135 ILE  QG2   148 TYR  QD      9.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=12.94, r4=13.44,
 igr1=2121,2122,2123,
 igr2=2324,2333,
 &end
#
# 135 ILE  QG2   148 TYR  QE      8.40                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=11.32, r4=11.82,
 igr1=2121,2122,2123,
 igr2=2326,2331,
 &end
#
# 135 ILE  QG2   149 PHE  HN      6.30                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2337, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1=2121,2122,2123,
 &end
#
# 135 ILE  QG2   151 GLN  HN      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2364, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr1=2121,2122,2123,
 &end
#
# 135 ILE  QD1   137 TYR  QE      9.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=12.94, r4=13.44,
 igr1=2128,2129,2130,
 igr2=2161,2166,
 &end
#
# 135 ILE  QD1   148 TYR  QE      9.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=12.94, r4=13.44,
 igr1=2128,2129,2130,
 igr2=2326,2331,
 &end
#
# 136 MET  HN    136 MET  HG2     6.60                
 &rst
  ixpk= 0, nxpk= 0, iat=2134,2141, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
# 136 MET  HN    136 MET  HG3     6.60                
 &rst
  ixpk= 0, nxpk= 0, iat=2134,2142, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
# 136 MET  HN    136 MET  QE      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=2134,  -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr2=2145,2146,2147,
 &end
#
# 136 MET  HN    149 PHE  HN      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat=2134,2337, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
# 136 MET  HN    149 PHE  QD      8.60                
 &rst
  ixpk= 0, nxpk= 0, iat=2134,  -1, r1= 1.30, r2= 1.80, r3= 9.65, r4=10.15,
 igr2=2345,2353,
 &end
#
# 136 MET  HN    149 PHE  QE      8.60                
 &rst
  ixpk= 0, nxpk= 0, iat=2134,  -1, r1= 1.30, r2= 1.80, r3= 9.65, r4=10.15,
 igr2=2347,2351,
 &end
#
# 136 MET  HA    136 MET  QE      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=2136,  -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr2=2145,2146,2147,
 &end
#
# 136 MET  HA    137 TYR  HB2     6.60                
 &rst
  ixpk= 0, nxpk= 0, iat=2136,2155, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
# 136 MET  HA    137 TYR  HB3     6.60                
 &rst
  ixpk= 0, nxpk= 0, iat=2136,2156, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
# 136 MET  HA    137 TYR  QD      8.60                
 &rst
  ixpk= 0, nxpk= 0, iat=2136,  -1, r1= 1.30, r2= 1.80, r3= 9.65, r4=10.15,
 igr2=2159,2168,
 &end
#
# 136 MET  HA    137 TYR  QE      8.60                
 &rst
  ixpk= 0, nxpk= 0, iat=2136,  -1, r1= 1.30, r2= 1.80, r3= 9.65, r4=10.15,
 igr2=2161,2166,
 &end
#
# 136 MET  HB2   136 MET  QE      7.40                
 &rst
  ixpk= 0, nxpk= 0, iat=2138,  -1, r1= 1.30, r2= 1.80, r3= 8.89, r4= 9.39,
 igr2=2145,2146,2147,
 &end
#
# 136 MET  HB2   137 TYR  HN      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat=2138,2151, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
# 136 MET  HB3   136 MET  QE      7.40                
 &rst
  ixpk= 0, nxpk= 0, iat=2139,  -1, r1= 1.30, r2= 1.80, r3= 8.89, r4= 9.39,
 igr2=2145,2146,2147,
 &end
#
# 136 MET  HB3   137 TYR  HN      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat=2139,2151, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
# 136 MET  HG2   137 TYR  HN      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat=2141,2151, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
# 136 MET  HG3   137 TYR  HN      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat=2142,2151, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
# 136 MET  QE    149 PHE  QD      9.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=12.94, r4=13.44,
 igr1=2145,2146,2147,
 igr2=2345,2353,
 &end
#
# 137 TYR  HN    137 TYR  QE      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=2151,  -1, r1= 1.30, r2= 1.80, r3= 8.53, r4= 9.03,
 igr2=2161,2166,
 &end
#
# 137 TYR  HN    138 LEU  HN      6.40                
 &rst
  ixpk= 0, nxpk= 0, iat=2151,2172, r1= 1.30, r2= 1.80, r3= 6.40, r4= 6.90,  &end
#
# 137 TYR  HN    149 PHE  QE      8.60                
 &rst
  ixpk= 0, nxpk= 0, iat=2151,  -1, r1= 1.30, r2= 1.80, r3= 9.65, r4=10.15,
 igr2=2347,2351,
 &end
#
# 137 TYR  HA    148 TYR  HA      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat=2153,2318, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
# 137 TYR  HA    148 TYR  QB      7.48                
 &rst
  ixpk= 0, nxpk= 0, iat=2153,  -1, r1= 1.30, r2= 1.80, r3= 8.40, r4= 8.90,
 igr2=2320,2321,
 &end
#
# 137 TYR  HA    148 TYR  QD      8.60                
 &rst
  ixpk= 0, nxpk= 0, iat=2153,  -1, r1= 1.30, r2= 1.80, r3= 9.65, r4=10.15,
 igr2=2324,2333,
 &end
#
# 137 TYR  HA    149 PHE  HN      6.30                
 &rst
  ixpk= 0, nxpk= 0, iat=2153,2337, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,  &end
#
# 137 TYR  HA    149 PHE  QD      8.60                
 &rst
  ixpk= 0, nxpk= 0, iat=2153,  -1, r1= 1.30, r2= 1.80, r3= 9.65, r4=10.15,
 igr2=2345,2353,
 &end
#
# 137 TYR  HB2   138 LEU  HN      6.20                
 &rst
  ixpk= 0, nxpk= 0, iat=2155,2172, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70,  &end
#
# 137 TYR  HB2   139 ILE  QD1     7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=2155,  -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr2=2204,2205,2206,
 &end
#
# 137 TYR  HB3   138 LEU  HN      6.20                
 &rst
  ixpk= 0, nxpk= 0, iat=2156,2172, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70,  &end
#
# 137 TYR  HB3   139 ILE  QD1     7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=2156,  -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr2=2204,2205,2206,
 &end
#
# 137 TYR  QB    138 LEU  HA      7.48                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2174, r1= 1.30, r2= 1.80, r3= 8.40, r4= 8.90,
 igr1=2155,2156,
 &end
#
# 137 TYR  QB    145 PHE  QE      9.48                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=11.94, r4=12.44,
 igr1=2155,2156,
 igr2=2275,2279,
 &end
#
# 137 TYR  QD    138 LEU  HN      8.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2172, r1= 1.30, r2= 1.80, r3= 9.65, r4=10.15,
 igr1=2159,2168,
 &end
#
# 137 TYR  QD    145 PHE  QE     10.10                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=12.73, r4=13.23,
 igr1=2159,2168,
 igr2=2275,2279,
 &end
#
# 137 TYR  QD    148 TYR  HA      8.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2318, r1= 1.30, r2= 1.80, r3= 9.65, r4=10.15,
 igr1=2159,2168,
 &end
#
# 137 TYR  QE    138 LEU  HN      8.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2172, r1= 1.30, r2= 1.80, r3= 9.65, r4=10.15,
 igr1=2161,2166,
 &end
#
# 137 TYR  QE    149 PHE  HN      8.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2337, r1= 1.30, r2= 1.80, r3= 9.65, r4=10.15,
 igr1=2161,2166,
 &end
#
# 138 LEU  HN    138 LEU  QB      3.85                
 &rst
  ixpk= 0, nxpk= 0, iat=2172,  -1, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82,
 igr2=2176,2177,
 &end
#
# 138 LEU  HN    138 LEU  QD1     6.20                
 &rst
  ixpk= 0, nxpk= 0, iat=2172,  -1, r1= 1.30, r2= 1.80, r3= 7.45, r4= 7.95,
 igr2=2181,2182,2183,
 &end
#
# 138 LEU  HN    138 LEU  QD2     6.20                
 &rst
  ixpk= 0, nxpk= 0, iat=2172,  -1, r1= 1.30, r2= 1.80, r3= 7.45, r4= 7.95,
 igr2=2185,2186,2187,
 &end
#
# 138 LEU  HN    138 LEU  QQD     5.14                
 &rst
  ixpk= 0, nxpk= 0, iat=2172,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr2=2185,2186,2187,2181,2182,2183,
 &end
#
# 138 LEU  HN    139 ILE  HN      5.70                
 &rst
  ixpk= 0, nxpk= 0, iat=2172,2191, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,  &end
#
# 138 LEU  HN    146 LEU  QB      7.48                
 &rst
  ixpk= 0, nxpk= 0, iat=2172,  -1, r1= 1.30, r2= 1.80, r3= 8.40, r4= 8.90,
 igr2=2289,2290,
 &end
#
# 138 LEU  HN    147 ASP- HN      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat=2172,2304, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
# 138 LEU  HN    148 TYR  HA      6.20                
 &rst
  ixpk= 0, nxpk= 0, iat=2172,2318, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70,  &end
#
# 138 LEU  HN    148 TYR  HB2     6.60                
 &rst
  ixpk= 0, nxpk= 0, iat=2172,2320, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
# 138 LEU  HN    148 TYR  HB3     6.60                
 &rst
  ixpk= 0, nxpk= 0, iat=2172,2321, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
# 138 LEU  HA    138 LEU  QD1     7.00                
 &rst
  ixpk= 0, nxpk= 0, iat=2174,  -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr2=2181,2182,2183,
 &end
#
# 138 LEU  HA    138 LEU  QD2     7.00                
 &rst
  ixpk= 0, nxpk= 0, iat=2174,  -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr2=2185,2186,2187,
 &end
#
# 138 LEU  HA    139 ILE  QD1     7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=2174,  -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr2=2204,2205,2206,
 &end
#
# 138 LEU  HB2   146 LEU  HN      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat=2176,2285, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
# 138 LEU  HB2   147 ASP- HN      5.00                
 &rst
  ixpk= 0, nxpk= 0, iat=2176,2304, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 138 LEU  HB2   147 ASP- HB2     8.35                
 &rst
  ixpk= 0, nxpk= 0, iat=2176,2308, r1= 1.30, r2= 1.80, r3= 8.35, r4= 8.85,  &end
#
# 138 LEU  HB2   147 ASP- HB3     8.35                
 &rst
  ixpk= 0, nxpk= 0, iat=2176,2309, r1= 1.30, r2= 1.80, r3= 8.35, r4= 8.85,  &end
#
# 138 LEU  HB2   149 PHE  QE      8.60                
 &rst
  ixpk= 0, nxpk= 0, iat=2176,  -1, r1= 1.30, r2= 1.80, r3= 9.65, r4=10.15,
 igr2=2347,2351,
 &end
#
# 138 LEU  HB3   146 LEU  HN      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat=2177,2285, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
# 138 LEU  HB3   147 ASP- HN      5.00                
 &rst
  ixpk= 0, nxpk= 0, iat=2177,2304, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 138 LEU  HB3   147 ASP- HB2     8.35                
 &rst
  ixpk= 0, nxpk= 0, iat=2177,2308, r1= 1.30, r2= 1.80, r3= 8.35, r4= 8.85,  &end
#
# 138 LEU  HB3   147 ASP- HB3     8.35                
 &rst
  ixpk= 0, nxpk= 0, iat=2177,2309, r1= 1.30, r2= 1.80, r3= 8.35, r4= 8.85,  &end
#
# 138 LEU  HB3   149 PHE  QE      8.60                
 &rst
  ixpk= 0, nxpk= 0, iat=2177,  -1, r1= 1.30, r2= 1.80, r3= 9.65, r4=10.15,
 igr2=2347,2351,
 &end
#
# 138 LEU  QB    146 LEU  HN      6.06                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2285, r1= 1.30, r2= 1.80, r3= 6.80, r4= 7.30,
 igr1=2176,2177,
 &end
#
# 138 LEU  QB    147 ASP- HN      4.63                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2304, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,
 igr1=2176,2177,
 &end
#
# 138 LEU  QB    147 ASP- QB      7.42                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.35, r4= 9.85,
 igr1=2176,2177,
 igr2=2308,2309,
 &end
#
# 138 LEU  QB    162 ILE  QD1     8.48                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=11.43, r4=11.93,
 igr1=2176,2177,
 igr2=2548,2549,2550,
 &end
#
# 138 LEU  QD1   139 ILE  HN      6.70                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2191, r1= 1.30, r2= 1.80, r3= 8.05, r4= 8.55,
 igr1=2181,2182,2183,
 &end
#
# 138 LEU  QD1   147 ASP- HN      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2304, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr1=2181,2182,2183,
 &end
#
# 138 LEU  QD1   147 ASP- HB2    10.74                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2308, r1= 1.30, r2= 1.80, r3=12.90, r4=13.40,
 igr1=2181,2182,2183,
 &end
#
# 138 LEU  QD1   147 ASP- HB3    10.74                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2309, r1= 1.30, r2= 1.80, r3=12.90, r4=13.40,
 igr1=2181,2182,2183,
 &end
#
# 138 LEU  QD1   162 ILE  HA      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2537, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr1=2181,2182,2183,
 &end
#
# 138 LEU  QD2   139 ILE  HN      6.70                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2191, r1= 1.30, r2= 1.80, r3= 8.05, r4= 8.55,
 igr1=2185,2186,2187,
 &end
#
# 138 LEU  QD2   147 ASP- HN      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2304, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr1=2185,2186,2187,
 &end
#
# 138 LEU  QD2   147 ASP- HB2    10.74                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2308, r1= 1.30, r2= 1.80, r3=12.90, r4=13.40,
 igr1=2185,2186,2187,
 &end
#
# 138 LEU  QD2   147 ASP- HB3    10.74                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2309, r1= 1.30, r2= 1.80, r3=12.90, r4=13.40,
 igr1=2185,2186,2187,
 &end
#
# 138 LEU  QD2   162 ILE  HA      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2537, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr1=2185,2186,2187,
 &end
#
# 138 LEU  QQD   139 ILE  HN      6.26                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2191, r1= 1.30, r2= 1.80, r3= 8.44, r4= 8.94,
 igr1=2185,2186,2187,2181,2182,2183,
 &end
#
# 138 LEU  QQD   146 LEU  HN      8.07                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2285, r1= 1.30, r2= 1.80, r3=10.88, r4=11.38,
 igr1=2185,2186,2187,2181,2182,2183,
 &end
#
# 138 LEU  QQD   146 LEU  QQD     9.94                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=18.06, r4=18.56,
 igr1=2185,2186,2187,2181,2182,2183,
 igr2=2298,2299,2300,2294,2295,2296,
 &end
#
# 138 LEU  QQD   147 ASP- HN      6.85                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2304, r1= 1.30, r2= 1.80, r3= 9.23, r4= 9.73,
 igr1=2185,2186,2187,2181,2182,2183,
 &end
#
# 138 LEU  QQD   147 ASP- QB      9.13                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=13.81, r4=14.31,
 igr1=2185,2186,2187,2181,2182,2183,
 igr2=2308,2309,
 &end
#
# 138 LEU  QQD   149 PHE  QE     11.17                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=16.90, r4=17.40,
 igr1=2185,2186,2187,2181,2182,2183,
 igr2=2347,2351,
 &end
#
# 138 LEU  QQD   162 ILE  HA      7.33                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2537, r1= 1.30, r2= 1.80, r3= 9.88, r4=10.38,
 igr1=2185,2186,2187,2181,2182,2183,
 &end
#
# 138 LEU  QQD   165 HIST HD2     9.17                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2591, r1= 1.30, r2= 1.80, r3=12.36, r4=12.86,
 igr1=2185,2186,2187,2181,2182,2183,
 &end
#
# 139 ILE  HN    139 ILE  HG12    6.00                
 &rst
  ixpk= 0, nxpk= 0, iat=2191,2201, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
# 139 ILE  HN    139 ILE  HG13    6.00                
 &rst
  ixpk= 0, nxpk= 0, iat=2191,2202, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
# 139 ILE  HN    139 ILE  QG1     5.45                
 &rst
  ixpk= 0, nxpk= 0, iat=2191,  -1, r1= 1.30, r2= 1.80, r3= 6.12, r4= 6.62,
 igr2=2201,2202,
 &end
#
# 139 ILE  HN    139 ILE  QD1     5.40                
 &rst
  ixpk= 0, nxpk= 0, iat=2191,  -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
 igr2=2204,2205,2206,
 &end
#
# 139 ILE  HN    140 GLY  HN      6.50                
 &rst
  ixpk= 0, nxpk= 0, iat=2191,2210, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,  &end
#
# 139 ILE  HN    146 LEU  HN      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat=2191,2285, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
# 139 ILE  HN    147 ASP- HN      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat=2191,2304, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
# 139 ILE  HA    146 LEU  HN      5.60                
 &rst
  ixpk= 0, nxpk= 0, iat=2193,2285, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,  &end
#
# 139 ILE  HA    147 ASP- HN      6.10                
 &rst
  ixpk= 0, nxpk= 0, iat=2193,2304, r1= 1.30, r2= 1.80, r3= 6.10, r4= 6.60,  &end
#
# 139 ILE  HB    139 ILE  QG1     2.64                
 &rst
  ixpk= 0, nxpk= 0, iat=2195,  -1, r1= 1.30, r2= 1.80, r3= 2.96, r4= 3.46,
 igr2=2201,2202,
 &end
#
# 139 ILE  HB    140 GLY  HN      5.30                
 &rst
  ixpk= 0, nxpk= 0, iat=2195,2210, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,  &end
#
# 139 ILE  HB    143 GLY  HN      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat=2195,2243, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
# 139 ILE  HB    146 LEU  HN      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat=2195,2285, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
# 139 ILE  QG2   139 ILE  QD1     4.40                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.35, r4= 6.85,
 igr1=2197,2198,2199,
 igr2=2204,2205,2206,
 &end
#
# 139 ILE  QG2   140 GLY  HN      6.80                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2210, r1= 1.30, r2= 1.80, r3= 8.17, r4= 8.67,
 igr1=2197,2198,2199,
 &end
#
# 139 ILE  QG2   143 GLY  HN      6.40                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2243, r1= 1.30, r2= 1.80, r3= 7.69, r4= 8.19,
 igr1=2197,2198,2199,
 &end
#
# 139 ILE  QG2   143 GLY  HA2     7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2245, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr1=2197,2198,2199,
 &end
#
# 139 ILE  QG2   143 GLY  HA3     7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2246, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr1=2197,2198,2199,
 &end
#
# 139 ILE  HG12  140 GLY  HN      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat=2201,2210, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
# 139 ILE  HG12  145 PHE  QD      8.60                
 &rst
  ixpk= 0, nxpk= 0, iat=2201,  -1, r1= 1.30, r2= 1.80, r3= 9.65, r4=10.15,
 igr2=2273,2281,
 &end
#
# 139 ILE  HG12  145 PHE  QE      8.60                
 &rst
  ixpk= 0, nxpk= 0, iat=2201,  -1, r1= 1.30, r2= 1.80, r3= 9.65, r4=10.15,
 igr2=2275,2279,
 &end
#
# 139 ILE  HG13  140 GLY  HN      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat=2202,2210, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
# 139 ILE  HG13  145 PHE  QD      8.60                
 &rst
  ixpk= 0, nxpk= 0, iat=2202,  -1, r1= 1.30, r2= 1.80, r3= 9.65, r4=10.15,
 igr2=2273,2281,
 &end
#
# 139 ILE  HG13  145 PHE  QE      8.60                
 &rst
  ixpk= 0, nxpk= 0, iat=2202,  -1, r1= 1.30, r2= 1.80, r3= 9.65, r4=10.15,
 igr2=2275,2279,
 &end
#
# 139 ILE  QG1   140 GLY  HN      6.10                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2210, r1= 1.30, r2= 1.80, r3= 6.85, r4= 7.35,
 igr1=2201,2202,
 &end
#
# 139 ILE  QG1   143 GLY  HN      7.38                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2243, r1= 1.30, r2= 1.80, r3= 8.28, r4= 8.78,
 igr1=2201,2202,
 &end
#
# 139 ILE  QD1   140 GLY  HN      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2210, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr1=2204,2205,2206,
 &end
#
# 139 ILE  QD1   145 PHE  HA      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2267, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr1=2204,2205,2206,
 &end
#
# 139 ILE  QD1   145 PHE  QB      8.48                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=11.43, r4=11.93,
 igr1=2204,2205,2206,
 igr2=2269,2270,
 &end
#
# 139 ILE  QD1   145 PHE  QD      9.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=12.94, r4=13.44,
 igr1=2204,2205,2206,
 igr2=2273,2281,
 &end
#
# 139 ILE  QD1   145 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=2204,2205,2206,
 igr2=2275,2279,
 &end
#
# 139 ILE  QD1   146 LEU  HN      7.40                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2285, r1= 1.30, r2= 1.80, r3= 8.89, r4= 9.39,
 igr1=2204,2205,2206,
 &end
#
# 139 ILE  QD1   147 ASP- HN      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2304, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr1=2204,2205,2206,
 &end
#
# 140 GLY  HN    143 GLY  HN      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat=2210,2243, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
# 140 GLY  HN    144 GLU- HN      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat=2210,2250, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
# 140 GLY  HN    145 PHE  HA      5.50                
 &rst
  ixpk= 0, nxpk= 0, iat=2210,2267, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 140 GLY  HN    146 LEU  QQD     9.17                
 &rst
  ixpk= 0, nxpk= 0, iat=2210,  -1, r1= 1.30, r2= 1.80, r3=12.36, r4=12.86,
 igr2=2298,2299,2300,2294,2295,2296,
 &end
#
# 140 GLY  QA    146 LEU  QB      8.48                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.68, r4=11.18,
 igr1=2212,2213,
 igr2=2289,2290,
 &end
#
# 140 GLY  QA    146 LEU  QD1     8.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=11.59, r4=12.09,
 igr1=2212,2213,
 igr2=2294,2295,2296,
 &end
#
# 140 GLY  QA    146 LEU  QD2     8.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=11.59, r4=12.09,
 igr1=2212,2213,
 igr2=2298,2299,2300,
 &end
#
# 141 PRO  HA    143 GLY  HN      5.40                
 &rst
  ixpk= 0, nxpk= 0, iat=2227,2243, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,  &end
#
# 141 PRO  HB2   142 ASP- HN      3.90                
 &rst
  ixpk= 0, nxpk= 0, iat=2224,2231, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40,  &end
#
# 141 PRO  HB2   143 GLY  HN      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat=2224,2243, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
# 141 PRO  HB3   142 ASP- HN      3.90                
 &rst
  ixpk= 0, nxpk= 0, iat=2225,2231, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40,  &end
#
# 141 PRO  HB3   143 GLY  HN      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat=2225,2243, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
# 141 PRO  QG    143 GLY  HN      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2243, r1= 1.30, r2= 1.80, r3= 8.53, r4= 9.03,
 igr1=2221,2222,
 &end
#
# 142 ASP- HN    143 GLY  HN      4.20                
 &rst
  ixpk= 0, nxpk= 0, iat=2231,2243, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,  &end
#
# 142 ASP- HN    143 GLY  HA2     6.60                
 &rst
  ixpk= 0, nxpk= 0, iat=2231,2245, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
# 142 ASP- HN    143 GLY  HA3     6.60                
 &rst
  ixpk= 0, nxpk= 0, iat=2231,2246, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
# 142 ASP- HB2   143 GLY  HN      5.60                
 &rst
  ixpk= 0, nxpk= 0, iat=2235,2243, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,  &end
#
# 142 ASP- HB3   143 GLY  HN      5.60                
 &rst
  ixpk= 0, nxpk= 0, iat=2236,2243, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,  &end
#
# 143 GLY  HN    144 GLU- HN      4.80                
 &rst
  ixpk= 0, nxpk= 0, iat=2243,2250, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,  &end
#
# 145 PHE  HN    145 PHE  QE      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=2265,  -1, r1= 1.30, r2= 1.80, r3= 8.53, r4= 9.03,
 igr2=2275,2279,
 &end
#
# 145 PHE  HN    146 LEU  HN      5.50                
 &rst
  ixpk= 0, nxpk= 0, iat=2265,2285, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 145 PHE  HB2   146 LEU  HN      6.50                
 &rst
  ixpk= 0, nxpk= 0, iat=2269,2285, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,  &end
#
# 145 PHE  HB3   146 LEU  HN      6.50                
 &rst
  ixpk= 0, nxpk= 0, iat=2270,2285, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,  &end
#
# 145 PHE  QB    146 LEU  HA      7.48                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2287, r1= 1.30, r2= 1.80, r3= 8.40, r4= 8.90,
 igr1=2269,2270,
 &end
#
# 145 PHE  QE    147 ASP- HA      7.70                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2306, r1= 1.30, r2= 1.80, r3= 8.64, r4= 9.14,
 igr1=2275,2279,
 &end
#
# 146 LEU  HN    146 LEU  HG      5.50                
 &rst
  ixpk= 0, nxpk= 0, iat=2285,2292, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 146 LEU  HN    146 LEU  QD1     7.00                
 &rst
  ixpk= 0, nxpk= 0, iat=2285,  -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr2=2294,2295,2296,
 &end
#
# 146 LEU  HN    146 LEU  QD2     7.00                
 &rst
  ixpk= 0, nxpk= 0, iat=2285,  -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr2=2298,2299,2300,
 &end
#
# 146 LEU  HN    146 LEU  QQD     6.33                
 &rst
  ixpk= 0, nxpk= 0, iat=2285,  -1, r1= 1.30, r2= 1.80, r3= 8.53, r4= 9.03,
 igr2=2298,2299,2300,2294,2295,2296,
 &end
#
# 146 LEU  HN    147 ASP- HN      4.70                
 &rst
  ixpk= 0, nxpk= 0, iat=2285,2304, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,  &end
#
# 146 LEU  HA    146 LEU  QD1     5.40                
 &rst
  ixpk= 0, nxpk= 0, iat=2287,  -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
 igr2=2294,2295,2296,
 &end
#
# 146 LEU  HA    146 LEU  QD2     5.40                
 &rst
  ixpk= 0, nxpk= 0, iat=2287,  -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
 igr2=2298,2299,2300,
 &end
#
# 146 LEU  HA    147 ASP- QB      7.48                
 &rst
  ixpk= 0, nxpk= 0, iat=2287,  -1, r1= 1.30, r2= 1.80, r3= 8.40, r4= 8.90,
 igr2=2308,2309,
 &end
#
# 146 LEU  HA    165 HIST HE1     6.60                
 &rst
  ixpk= 0, nxpk= 0, iat=2287,2587, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
# 146 LEU  QB    165 HIST HE1     7.48                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2587, r1= 1.30, r2= 1.80, r3= 8.40, r4= 8.90,
 igr1=2289,2290,
 &end
#
# 146 LEU  QD1   165 HIST HA      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2580, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr1=2294,2295,2296,
 &end
#
# 146 LEU  QD1   165 HIST HB2     7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2582, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr1=2294,2295,2296,
 &end
#
# 146 LEU  QD1   165 HIST HB3     7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2583, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr1=2294,2295,2296,
 &end
#
# 146 LEU  QD2   165 HIST HA      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2580, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr1=2298,2299,2300,
 &end
#
# 146 LEU  QD2   165 HIST HB2     7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2582, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr1=2298,2299,2300,
 &end
#
# 146 LEU  QD2   165 HIST HB3     7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2583, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr1=2298,2299,2300,
 &end
#
# 146 LEU  QQD   147 ASP- HN      7.97                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2304, r1= 1.30, r2= 1.80, r3=10.74, r4=11.24,
 igr1=2298,2299,2300,2294,2295,2296,
 &end
#
# 146 LEU  QQD   165 HIST HD2     9.17                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2591, r1= 1.30, r2= 1.80, r3=12.36, r4=12.86,
 igr1=2298,2299,2300,2294,2295,2296,
 &end
#
# 146 LEU  QQD   165 HIST HE1     9.17                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2587, r1= 1.30, r2= 1.80, r3=12.36, r4=12.86,
 igr1=2298,2299,2300,2294,2295,2296,
 &end
#
# 147 ASP- HN    148 TYR  HN      5.40                
 &rst
  ixpk= 0, nxpk= 0, iat=2304,2316, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,  &end
#
# 147 ASP- HB2   148 TYR  HN      4.60                
 &rst
  ixpk= 0, nxpk= 0, iat=2308,2316, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,  &end
#
# 147 ASP- HB2   165 HIST HE1     6.10                
 &rst
  ixpk= 0, nxpk= 0, iat=2308,2587, r1= 1.30, r2= 1.80, r3= 6.10, r4= 6.60,  &end
#
# 147 ASP- HB3   148 TYR  HN      4.60                
 &rst
  ixpk= 0, nxpk= 0, iat=2309,2316, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,  &end
#
# 147 ASP- HB3   165 HIST HE1     6.10                
 &rst
  ixpk= 0, nxpk= 0, iat=2309,2587, r1= 1.30, r2= 1.80, r3= 6.10, r4= 6.60,  &end
#
# 147 ASP- QB    148 TYR  HN      4.37                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2316, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,
 igr1=2308,2309,
 &end
#
# 147 ASP- QB    149 PHE  QE      9.48                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=11.94, r4=12.44,
 igr1=2308,2309,
 igr2=2347,2351,
 &end
#
# 147 ASP- QB    165 HIST HE1     5.69                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2587, r1= 1.30, r2= 1.80, r3= 6.39, r4= 6.89,
 igr1=2308,2309,
 &end
#
# 148 TYR  HN    148 TYR  QE      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=2316,  -1, r1= 1.30, r2= 1.80, r3= 8.53, r4= 9.03,
 igr2=2326,2331,
 &end
#
# 148 TYR  HN    149 PHE  HN      6.40                
 &rst
  ixpk= 0, nxpk= 0, iat=2316,2337, r1= 1.30, r2= 1.80, r3= 6.40, r4= 6.90,  &end
#
# 148 TYR  HN    149 PHE  QD      8.30                
 &rst
  ixpk= 0, nxpk= 0, iat=2316,  -1, r1= 1.30, r2= 1.80, r3= 9.32, r4= 9.82,
 igr2=2345,2353,
 &end
#
# 148 TYR  HN    149 PHE  QE      8.60                
 &rst
  ixpk= 0, nxpk= 0, iat=2316,  -1, r1= 1.30, r2= 1.80, r3= 9.65, r4=10.15,
 igr2=2347,2351,
 &end
#
# 148 TYR  HA    149 PHE  QD      8.60                
 &rst
  ixpk= 0, nxpk= 0, iat=2318,  -1, r1= 1.30, r2= 1.80, r3= 9.65, r4=10.15,
 igr2=2345,2353,
 &end
#
# 148 TYR  HB2   149 PHE  HN      5.30                
 &rst
  ixpk= 0, nxpk= 0, iat=2320,2337, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,  &end
#
# 148 TYR  HB3   149 PHE  HN      5.30                
 &rst
  ixpk= 0, nxpk= 0, iat=2321,2337, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,  &end
#
# 148 TYR  QD    149 PHE  HN      8.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2337, r1= 1.30, r2= 1.80, r3= 9.65, r4=10.15,
 igr1=2324,2333,
 &end
#
# 148 TYR  QE    149 PHE  HN      8.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2337, r1= 1.30, r2= 1.80, r3= 9.65, r4=10.15,
 igr1=2326,2331,
 &end
#
# 149 PHE  HN    149 PHE  QE      7.20                
 &rst
  ixpk= 0, nxpk= 0, iat=2337,  -1, r1= 1.30, r2= 1.80, r3= 8.08, r4= 8.58,
 igr2=2347,2351,
 &end
#
# 149 PHE  HN    150 GLY  HN      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat=2337,2357, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
# 149 PHE  HB2   150 GLY  HN      5.60                
 &rst
  ixpk= 0, nxpk= 0, iat=2341,2357, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,  &end
#
# 149 PHE  HB3   150 GLY  HN      5.60                
 &rst
  ixpk= 0, nxpk= 0, iat=2342,2357, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,  &end
#
# 149 PHE  QB    153 LYS+ QB      8.35                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.52, r4=11.02,
 igr1=2341,2342,
 igr2=2399,2400,
 &end
#
# 149 PHE  QD    150 GLY  HN      8.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2357, r1= 1.30, r2= 1.80, r3= 9.65, r4=10.15,
 igr1=2345,2353,
 &end
#
# 149 PHE  QD    153 LYS+ QG      9.28                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=11.69, r4=12.19,
 igr1=2345,2353,
 igr2=2402,2403,
 &end
#
# 149 PHE  QD    158 ILE  HN      8.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2485, r1= 1.30, r2= 1.80, r3= 9.65, r4=10.15,
 igr1=2345,2353,
 &end
#
# 149 PHE  QD    158 ILE  HA      8.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2487, r1= 1.30, r2= 1.80, r3= 9.65, r4=10.15,
 igr1=2345,2353,
 &end
#
# 149 PHE  QD    158 ILE  QG2     9.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=12.94, r4=13.44,
 igr1=2345,2353,
 igr2=2491,2492,2493,
 &end
#
# 149 PHE  QD    158 ILE  QD1     9.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=12.94, r4=13.44,
 igr1=2345,2353,
 igr2=2498,2499,2500,
 &end
#
# 149 PHE  QD    161 SER  HN      8.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2524, r1= 1.30, r2= 1.80, r3= 9.65, r4=10.15,
 igr1=2345,2353,
 &end
#
# 149 PHE  QD    161 SER  QB      9.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=12.10, r4=12.60,
 igr1=2345,2353,
 igr2=2528,2529,
 &end
#
# 149 PHE  QD    162 ILE  HN      8.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2535, r1= 1.30, r2= 1.80, r3= 9.65, r4=10.15,
 igr1=2345,2353,
 &end
#
# 149 PHE  QD    162 ILE  QG1     9.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=12.10, r4=12.60,
 igr1=2345,2353,
 igr2=2545,2546,
 &end
#
# 149 PHE  QD    162 ILE  QD1     9.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=12.94, r4=13.44,
 igr1=2345,2353,
 igr2=2548,2549,2550,
 &end
#
# 149 PHE  QE    150 GLY  HN      8.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2357, r1= 1.30, r2= 1.80, r3= 9.65, r4=10.15,
 igr1=2347,2351,
 &end
#
# 149 PHE  QE    153 LYS+ QG      8.98                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=11.31, r4=11.81,
 igr1=2347,2351,
 igr2=2402,2403,
 &end
#
# 149 PHE  QE    158 ILE  HA      8.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2487, r1= 1.30, r2= 1.80, r3= 9.65, r4=10.15,
 igr1=2347,2351,
 &end
#
# 149 PHE  QE    158 ILE  QG2     9.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=12.94, r4=13.44,
 igr1=2347,2351,
 igr2=2491,2492,2493,
 &end
#
# 149 PHE  QE    161 SER  HN      8.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2524, r1= 1.30, r2= 1.80, r3= 9.65, r4=10.15,
 igr1=2347,2351,
 &end
#
# 149 PHE  QE    161 SER  QB      9.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=12.10, r4=12.60,
 igr1=2347,2351,
 igr2=2528,2529,
 &end
#
# 149 PHE  QE    162 ILE  HN      8.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2535, r1= 1.30, r2= 1.80, r3= 9.65, r4=10.15,
 igr1=2347,2351,
 &end
#
# 149 PHE  QE    162 ILE  QG2     9.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=12.94, r4=13.44,
 igr1=2347,2351,
 igr2=2541,2542,2543,
 &end
#
# 149 PHE  QE    162 ILE  QD1     9.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=12.94, r4=13.44,
 igr1=2347,2351,
 igr2=2548,2549,2550,
 &end
#
# 150 GLY  HN    151 GLN  HN      5.20                
 &rst
  ixpk= 0, nxpk= 0, iat=2357,2364, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,  &end
#
# 150 GLY  HN    153 LYS+ HB2     6.60                
 &rst
  ixpk= 0, nxpk= 0, iat=2357,2399, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
# 150 GLY  HN    153 LYS+ HB3     6.60                
 &rst
  ixpk= 0, nxpk= 0, iat=2357,2400, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
# 150 GLY  HN    153 LYS+ QG      7.18                
 &rst
  ixpk= 0, nxpk= 0, iat=2357,  -1, r1= 1.30, r2= 1.80, r3= 8.06, r4= 8.56,
 igr2=2402,2403,
 &end
#
# 151 GLN  HN    151 GLN  HG2     6.60                
 &rst
  ixpk= 0, nxpk= 0, iat=2364,2371, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
# 151 GLN  HN    151 GLN  HG3     6.60                
 &rst
  ixpk= 0, nxpk= 0, iat=2364,2372, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
# 151 GLN  HN    151 GLN  QG      5.88                
 &rst
  ixpk= 0, nxpk= 0, iat=2364,  -1, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,
 igr2=2371,2372,
 &end
#
# 151 GLN  HN    151 GLN  HE21    6.60                
 &rst
  ixpk= 0, nxpk= 0, iat=2364,2376, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
# 151 GLN  HN    151 GLN  HE22    6.60                
 &rst
  ixpk= 0, nxpk= 0, iat=2364,2377, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
# 151 GLN  HN    152 ASN  HN      5.70                
 &rst
  ixpk= 0, nxpk= 0, iat=2364,2381, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,  &end
#
# 151 GLN  HA    151 GLN  HE21    6.60                
 &rst
  ixpk= 0, nxpk= 0, iat=2366,2376, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
# 151 GLN  HA    151 GLN  HE22    6.60                
 &rst
  ixpk= 0, nxpk= 0, iat=2366,2377, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
# 151 GLN  HB2   151 GLN  HE21    6.40                
 &rst
  ixpk= 0, nxpk= 0, iat=2368,2376, r1= 1.30, r2= 1.80, r3= 6.40, r4= 6.90,  &end
#
# 151 GLN  HB2   151 GLN  HE22    6.40                
 &rst
  ixpk= 0, nxpk= 0, iat=2368,2377, r1= 1.30, r2= 1.80, r3= 6.40, r4= 6.90,  &end
#
# 151 GLN  HB2   152 ASN  HN      4.90                
 &rst
  ixpk= 0, nxpk= 0, iat=2368,2381, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,  &end
#
# 151 GLN  HB3   151 GLN  HE21    6.40                
 &rst
  ixpk= 0, nxpk= 0, iat=2369,2376, r1= 1.30, r2= 1.80, r3= 6.40, r4= 6.90,  &end
#
# 151 GLN  HB3   151 GLN  HE22    6.40                
 &rst
  ixpk= 0, nxpk= 0, iat=2369,2377, r1= 1.30, r2= 1.80, r3= 6.40, r4= 6.90,  &end
#
# 151 GLN  HB3   152 ASN  HN      4.90                
 &rst
  ixpk= 0, nxpk= 0, iat=2369,2381, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,  &end
#
# 151 GLN  QB    152 ASN  HN      4.39                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2381, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43,
 igr1=2368,2369,
 &end
#
# 151 GLN  HG2   152 ASN  HN      6.10                
 &rst
  ixpk= 0, nxpk= 0, iat=2371,2381, r1= 1.30, r2= 1.80, r3= 6.10, r4= 6.60,  &end
#
# 151 GLN  HG3   152 ASN  HN      6.10                
 &rst
  ixpk= 0, nxpk= 0, iat=2372,2381, r1= 1.30, r2= 1.80, r3= 6.10, r4= 6.60,  &end
#
# 152 ASN  HN    152 ASN  HD21    6.00                
 &rst
  ixpk= 0, nxpk= 0, iat=2381,2390, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
# 152 ASN  HN    152 ASN  HD22    6.00                
 &rst
  ixpk= 0, nxpk= 0, iat=2381,2391, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
# 152 ASN  HN    152 ASN  QD2     5.59                
 &rst
  ixpk= 0, nxpk= 0, iat=2381,  -1, r1= 1.30, r2= 1.80, r3= 6.27, r4= 6.77,
 igr2=2390,2391,
 &end
#
# 152 ASN  HN    153 LYS+ HN      4.40                
 &rst
  ixpk= 0, nxpk= 0, iat=2381,2395, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,  &end
#
# 152 ASN  HA    152 ASN  HD21    5.50                
 &rst
  ixpk= 0, nxpk= 0, iat=2383,2390, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 152 ASN  HA    152 ASN  HD22    5.50                
 &rst
  ixpk= 0, nxpk= 0, iat=2383,2391, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 152 ASN  HB2   153 LYS+ HN      5.80                
 &rst
  ixpk= 0, nxpk= 0, iat=2385,2395, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,  &end
#
# 152 ASN  HB3   153 LYS+ HN      5.80                
 &rst
  ixpk= 0, nxpk= 0, iat=2386,2395, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,  &end
#
# 152 ASN  QD2   153 LYS+ HN      6.97                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2395, r1= 1.30, r2= 1.80, r3= 7.82, r4= 8.32,
 igr1=2390,2391,
 &end
#
# 153 LYS+ HN    153 LYS+ HB2     4.10                
 &rst
  ixpk= 0, nxpk= 0, iat=2395,2399, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,  &end
#
# 153 LYS+ HN    153 LYS+ HB3     4.10                
 &rst
  ixpk= 0, nxpk= 0, iat=2395,2400, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,  &end
#
# 153 LYS+ HN    153 LYS+ HG2     4.60                
 &rst
  ixpk= 0, nxpk= 0, iat=2395,2402, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,  &end
#
# 153 LYS+ HN    153 LYS+ HG3     4.60                
 &rst
  ixpk= 0, nxpk= 0, iat=2395,2403, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,  &end
#
# 153 LYS+ HN    153 LYS+ QG      4.32                
 &rst
  ixpk= 0, nxpk= 0, iat=2395,  -1, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
 igr2=2402,2403,
 &end
#
# 153 LYS+ HN    153 LYS+ QE      6.80                
 &rst
  ixpk= 0, nxpk= 0, iat=2395,  -1, r1= 1.30, r2= 1.80, r3= 7.63, r4= 8.13,
 igr2=2408,2409,
 &end
#
# 153 LYS+ HN    154 ARG+ HN      4.80                
 &rst
  ixpk= 0, nxpk= 0, iat=2395,2417, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,  &end
#
# 153 LYS+ HN    158 ILE  QD1     7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=2395,  -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr2=2498,2499,2500,
 &end
#
# 153 LYS+ HA    153 LYS+ QE      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=2397,  -1, r1= 1.30, r2= 1.80, r3= 8.53, r4= 9.03,
 igr2=2408,2409,
 &end
#
# 153 LYS+ HA    157 GLU- HN      6.50                
 &rst
  ixpk= 0, nxpk= 0, iat=2397,2470, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,  &end
#
# 153 LYS+ HB2   153 LYS+ QE      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=2399,  -1, r1= 1.30, r2= 1.80, r3= 8.53, r4= 9.03,
 igr2=2408,2409,
 &end
#
# 153 LYS+ HB2   158 ILE  QG1     7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=2399,  -1, r1= 1.30, r2= 1.80, r3= 8.53, r4= 9.03,
 igr2=2495,2496,
 &end
#
# 153 LYS+ HB2   158 ILE  QD1     7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=2399,  -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr2=2498,2499,2500,
 &end
#
# 153 LYS+ HB3   153 LYS+ QE      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=2400,  -1, r1= 1.30, r2= 1.80, r3= 8.53, r4= 9.03,
 igr2=2408,2409,
 &end
#
# 153 LYS+ HB3   158 ILE  QG1     7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=2400,  -1, r1= 1.30, r2= 1.80, r3= 8.53, r4= 9.03,
 igr2=2495,2496,
 &end
#
# 153 LYS+ HB3   158 ILE  QD1     7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=2400,  -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr2=2498,2499,2500,
 &end
#
# 153 LYS+ QB    153 LYS+ QE      6.84                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.62, r4= 9.12,
 igr1=2399,2400,
 igr2=2408,2409,
 &end
#
# 153 LYS+ QB    154 ARG+ HN      5.08                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2417, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,
 igr1=2399,2400,
 &end
#
# 154 ARG+ HN    154 ARG+ HG2     5.50                
 &rst
  ixpk= 0, nxpk= 0, iat=2417,2424, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 154 ARG+ HN    154 ARG+ HG3     5.50                
 &rst
  ixpk= 0, nxpk= 0, iat=2417,2425, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 154 ARG+ HN    154 ARG+ QG      4.81                
 &rst
  ixpk= 0, nxpk= 0, iat=2417,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2=2424,2425,
 &end
#
# 154 ARG+ HN    154 ARG+ QD      7.10                
 &rst
  ixpk= 0, nxpk= 0, iat=2417,  -1, r1= 1.30, r2= 1.80, r3= 7.97, r4= 8.47,
 igr2=2427,2428,
 &end
#
# 154 ARG+ HN    157 GLU- HN      6.40                
 &rst
  ixpk= 0, nxpk= 0, iat=2417,2470, r1= 1.30, r2= 1.80, r3= 6.40, r4= 6.90,  &end
#
# 154 ARG+ HN    157 GLU- QG      6.80                
 &rst
  ixpk= 0, nxpk= 0, iat=2417,  -1, r1= 1.30, r2= 1.80, r3= 7.63, r4= 8.13,
 igr2=2477,2478,
 &end
#
# 154 ARG+ HA    154 ARG+ QD      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=2419,  -1, r1= 1.30, r2= 1.80, r3= 8.53, r4= 9.03,
 igr2=2427,2428,
 &end
#
# 154 ARG+ HA    156 GLY  HN      6.20                
 &rst
  ixpk= 0, nxpk= 0, iat=2419,2463, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70,  &end
#
# 154 ARG+ HA    158 ILE  QD1     7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=2419,  -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr2=2498,2499,2500,
 &end
#
# 154 ARG+ HB2   155 LYS+ HN      6.00                
 &rst
  ixpk= 0, nxpk= 0, iat=2421,2441, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
# 154 ARG+ HB2   156 GLY  HN      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat=2421,2463, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
# 154 ARG+ HB3   155 LYS+ HN      6.00                
 &rst
  ixpk= 0, nxpk= 0, iat=2422,2441, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
# 154 ARG+ HB3   156 GLY  HN      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat=2422,2463, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
# 154 ARG+ QB    156 GLY  HN      6.15                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2463, r1= 1.30, r2= 1.80, r3= 6.90, r4= 7.40,
 igr1=2421,2422,
 &end
#
# 154 ARG+ HG2   155 LYS+ HN      5.60                
 &rst
  ixpk= 0, nxpk= 0, iat=2424,2441, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,  &end
#
# 154 ARG+ HG3   155 LYS+ HN      5.60                
 &rst
  ixpk= 0, nxpk= 0, iat=2425,2441, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,  &end
#
# 154 ARG+ QD    155 LYS+ HN      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2441, r1= 1.30, r2= 1.80, r3= 8.53, r4= 9.03,
 igr1=2427,2428,
 &end
#
# 154 ARG+ QD    156 GLY  HN      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2463, r1= 1.30, r2= 1.80, r3= 8.53, r4= 9.03,
 igr1=2427,2428,
 &end
#
# 154 ARG+ QD    156 GLY  QA      8.48                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.68, r4=11.18,
 igr1=2427,2428,
 igr2=2465,2466,
 &end
#
# 154 ARG+ QD    157 GLU- HN      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2470, r1= 1.30, r2= 1.80, r3= 8.53, r4= 9.03,
 igr1=2427,2428,
 &end
#
# 155 LYS+ HN    155 LYS+ HB2     2.90                
 &rst
  ixpk= 0, nxpk= 0, iat=2441,2445, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40,  &end
#
# 155 LYS+ HN    155 LYS+ HB3     2.90                
 &rst
  ixpk= 0, nxpk= 0, iat=2441,2446, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40,  &end
#
# 155 LYS+ HN    155 LYS+ QB      2.51                
 &rst
  ixpk= 0, nxpk= 0, iat=2441,  -1, r1= 1.30, r2= 1.80, r3= 2.82, r4= 3.32,
 igr2=2445,2446,
 &end
#
# 155 LYS+ HN    155 LYS+ QG      7.40                
 &rst
  ixpk= 0, nxpk= 0, iat=2441,  -1, r1= 1.30, r2= 1.80, r3= 8.31, r4= 8.81,
 igr2=2448,2449,
 &end
#
# 155 LYS+ HN    155 LYS+ HD2     5.60                
 &rst
  ixpk= 0, nxpk= 0, iat=2441,2451, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,  &end
#
# 155 LYS+ HN    155 LYS+ HD3     5.60                
 &rst
  ixpk= 0, nxpk= 0, iat=2441,2452, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,  &end
#
# 155 LYS+ HN    155 LYS+ QD      5.19                
 &rst
  ixpk= 0, nxpk= 0, iat=2441,  -1, r1= 1.30, r2= 1.80, r3= 5.83, r4= 6.33,
 igr2=2451,2452,
 &end
#
# 155 LYS+ HN    155 LYS+ QE      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=2441,  -1, r1= 1.30, r2= 1.80, r3= 8.53, r4= 9.03,
 igr2=2454,2455,
 &end
#
# 155 LYS+ HN    156 GLY  HN      4.80                
 &rst
  ixpk= 0, nxpk= 0, iat=2441,2463, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,  &end
#
# 155 LYS+ HN    156 GLY  HA2     5.60                
 &rst
  ixpk= 0, nxpk= 0, iat=2441,2465, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,  &end
#
# 155 LYS+ HN    156 GLY  HA3     5.60                
 &rst
  ixpk= 0, nxpk= 0, iat=2441,2466, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,  &end
#
# 155 LYS+ HN    156 GLY  QA      5.24                
 &rst
  ixpk= 0, nxpk= 0, iat=2441,  -1, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
 igr2=2465,2466,
 &end
#
# 155 LYS+ HN    157 GLU- HN      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat=2441,2470, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
# 155 LYS+ HN    157 GLU- QG      7.10                
 &rst
  ixpk= 0, nxpk= 0, iat=2441,  -1, r1= 1.30, r2= 1.80, r3= 7.97, r4= 8.47,
 igr2=2477,2478,
 &end
#
# 155 LYS+ HN    158 ILE  HN      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat=2441,2485, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
# 155 LYS+ HN    158 ILE  QG2     7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=2441,  -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr2=2491,2492,2493,
 &end
#
# 155 LYS+ HN    158 ILE  QD1     7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=2441,  -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr2=2498,2499,2500,
 &end
#
# 155 LYS+ HA    155 LYS+ HD2     6.30                
 &rst
  ixpk= 0, nxpk= 0, iat=2443,2451, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,  &end
#
# 155 LYS+ HA    155 LYS+ HD3     6.30                
 &rst
  ixpk= 0, nxpk= 0, iat=2443,2452, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,  &end
#
# 155 LYS+ HA    155 LYS+ QE      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=2443,  -1, r1= 1.30, r2= 1.80, r3= 8.53, r4= 9.03,
 igr2=2454,2455,
 &end
#
# 155 LYS+ HA    157 GLU- HN      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat=2443,2470, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
# 155 LYS+ HA    158 ILE  HN      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat=2443,2485, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
# 155 LYS+ HA    158 ILE  HB      5.50                
 &rst
  ixpk= 0, nxpk= 0, iat=2443,2489, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 155 LYS+ HA    158 ILE  QG2     7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=2443,  -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr2=2491,2492,2493,
 &end
#
# 155 LYS+ HA    158 ILE  QD1     7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=2443,  -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr2=2498,2499,2500,
 &end
#
# 155 LYS+ HA    159 ALA  HN      6.30                
 &rst
  ixpk= 0, nxpk= 0, iat=2443,2504, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,  &end
#
# 155 LYS+ HB2   155 LYS+ QE      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=2445,  -1, r1= 1.30, r2= 1.80, r3= 8.53, r4= 9.03,
 igr2=2454,2455,
 &end
#
# 155 LYS+ HB2   156 GLY  HN      4.50                
 &rst
  ixpk= 0, nxpk= 0, iat=2445,2463, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 155 LYS+ HB2   157 GLU- HN      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat=2445,2470, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
# 155 LYS+ HB3   155 LYS+ QE      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=2446,  -1, r1= 1.30, r2= 1.80, r3= 8.53, r4= 9.03,
 igr2=2454,2455,
 &end
#
# 155 LYS+ HB3   156 GLY  HN      4.50                
 &rst
  ixpk= 0, nxpk= 0, iat=2446,2463, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 155 LYS+ HB3   157 GLU- HN      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat=2446,2470, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
# 155 LYS+ QG    156 GLY  HN      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2463, r1= 1.30, r2= 1.80, r3= 8.53, r4= 9.03,
 igr1=2448,2449,
 &end
#
# 155 LYS+ HD2   156 GLY  HN      5.10                
 &rst
  ixpk= 0, nxpk= 0, iat=2451,2463, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,  &end
#
# 155 LYS+ HD2   156 GLY  HA2     6.20                
 &rst
  ixpk= 0, nxpk= 0, iat=2451,2465, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70,  &end
#
# 155 LYS+ HD2   156 GLY  HA3     6.20                
 &rst
  ixpk= 0, nxpk= 0, iat=2451,2466, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70,  &end
#
# 155 LYS+ HD2   157 GLU- HN      6.30                
 &rst
  ixpk= 0, nxpk= 0, iat=2451,2470, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,  &end
#
# 155 LYS+ HD3   156 GLY  HN      5.10                
 &rst
  ixpk= 0, nxpk= 0, iat=2452,2463, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,  &end
#
# 155 LYS+ HD3   156 GLY  HA2     6.20                
 &rst
  ixpk= 0, nxpk= 0, iat=2452,2465, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70,  &end
#
# 155 LYS+ HD3   156 GLY  HA3     6.20                
 &rst
  ixpk= 0, nxpk= 0, iat=2452,2466, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70,  &end
#
# 155 LYS+ HD3   157 GLU- HN      6.30                
 &rst
  ixpk= 0, nxpk= 0, iat=2452,2470, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,  &end
#
# 155 LYS+ QD    156 GLY  QA      5.38                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.78, r4= 7.28,
 igr1=2451,2452,
 igr2=2465,2466,
 &end
#
# 155 LYS+ QD    158 ILE  HN      5.48                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2485, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65,
 igr1=2451,2452,
 &end
#
# 155 LYS+ QD    159 ALA  HN      5.78                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2504, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
 igr1=2451,2452,
 &end
#
# 155 LYS+ QE    156 GLY  HN      7.20                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2463, r1= 1.30, r2= 1.80, r3= 8.08, r4= 8.58,
 igr1=2454,2455,
 &end
#
# 156 GLY  HN    157 GLU- HN      4.70                
 &rst
  ixpk= 0, nxpk= 0, iat=2463,2470, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,  &end
#
# 156 GLY  HN    157 GLU- HA      5.50                
 &rst
  ixpk= 0, nxpk= 0, iat=2463,2472, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 156 GLY  HN    157 GLU- QG      6.70                
 &rst
  ixpk= 0, nxpk= 0, iat=2463,  -1, r1= 1.30, r2= 1.80, r3= 7.52, r4= 8.02,
 igr2=2477,2478,
 &end
#
# 156 GLY  HN    158 ILE  HN      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat=2463,2485, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
# 156 GLY  HN    158 ILE  QD1     7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=2463,  -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr2=2498,2499,2500,
 &end
#
# 156 GLY  HN    159 ALA  HN      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat=2463,2504, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
# 156 GLY  HN    160 ALA  HN      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat=2463,2514, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
# 156 GLY  HA2   159 ALA  QB      5.90                
 &rst
  ixpk= 0, nxpk= 0, iat=2465,  -1, r1= 1.30, r2= 1.80, r3= 7.09, r4= 7.59,
 igr2=2508,2509,2510,
 &end
#
# 156 GLY  HA2   160 ALA  HN      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat=2465,2514, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
# 156 GLY  HA3   159 ALA  QB      5.90                
 &rst
  ixpk= 0, nxpk= 0, iat=2466,  -1, r1= 1.30, r2= 1.80, r3= 7.09, r4= 7.59,
 igr2=2508,2509,2510,
 &end
#
# 156 GLY  HA3   160 ALA  HN      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat=2466,2514, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
# 156 GLY  QA    159 ALA  HN      7.18                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2504, r1= 1.30, r2= 1.80, r3= 8.06, r4= 8.56,
 igr1=2465,2466,
 &end
#
# 157 GLU- HN    157 GLU- QG      5.30                
 &rst
  ixpk= 0, nxpk= 0, iat=2470,  -1, r1= 1.30, r2= 1.80, r3= 5.95, r4= 6.45,
 igr2=2477,2478,
 &end
#
# 157 GLU- HN    158 ILE  HN      4.70                
 &rst
  ixpk= 0, nxpk= 0, iat=2470,2485, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,  &end
#
# 157 GLU- HN    158 ILE  QG2     7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=2470,  -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr2=2491,2492,2493,
 &end
#
# 157 GLU- HN    158 ILE  QD1     7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=2470,  -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr2=2498,2499,2500,
 &end
#
# 157 GLU- HN    159 ALA  HN      6.30                
 &rst
  ixpk= 0, nxpk= 0, iat=2470,2504, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,  &end
#
# 157 GLU- HN    160 ALA  HN      6.50                
 &rst
  ixpk= 0, nxpk= 0, iat=2470,2514, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,  &end
#
# 157 GLU- HA    160 ALA  HN      5.30                
 &rst
  ixpk= 0, nxpk= 0, iat=2472,2514, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,  &end
#
# 157 GLU- HA    160 ALA  QB      4.50                
 &rst
  ixpk= 0, nxpk= 0, iat=2472,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2=2518,2519,2520,
 &end
#
# 157 GLU- QB    161 SER  HN      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2524, r1= 1.30, r2= 1.80, r3= 8.53, r4= 9.03,
 igr1=2474,2475,
 &end
#
# 157 GLU- QG    158 ILE  HN      6.30                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2485, r1= 1.30, r2= 1.80, r3= 7.07, r4= 7.57,
 igr1=2477,2478,
 &end
#
# 157 GLU- QG    159 ALA  HN      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2504, r1= 1.30, r2= 1.80, r3= 8.53, r4= 9.03,
 igr1=2477,2478,
 &end
#
# 158 ILE  HN    158 ILE  QG1     7.30                
 &rst
  ixpk= 0, nxpk= 0, iat=2485,  -1, r1= 1.30, r2= 1.80, r3= 8.19, r4= 8.69,
 igr2=2495,2496,
 &end
#
# 158 ILE  HN    158 ILE  QD1     5.30                
 &rst
  ixpk= 0, nxpk= 0, iat=2485,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr2=2498,2499,2500,
 &end
#
# 158 ILE  HN    159 ALA  HN      4.50                
 &rst
  ixpk= 0, nxpk= 0, iat=2485,2504, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 158 ILE  HA    160 ALA  HN      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat=2487,2514, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
# 158 ILE  HA    161 SER  HN      5.80                
 &rst
  ixpk= 0, nxpk= 0, iat=2487,2524, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,  &end
#
# 158 ILE  HA    161 SER  QB      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=2487,  -1, r1= 1.30, r2= 1.80, r3= 8.53, r4= 9.03,
 igr2=2528,2529,
 &end
#
# 158 ILE  HB    159 ALA  HN      4.10                
 &rst
  ixpk= 0, nxpk= 0, iat=2489,2504, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,  &end
#
# 158 ILE  QG2   159 ALA  HN      7.10                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2504, r1= 1.30, r2= 1.80, r3= 8.53, r4= 9.03,
 igr1=2491,2492,2493,
 &end
#
# 158 ILE  QG2   160 ALA  HN      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2514, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr1=2491,2492,2493,
 &end
#
# 158 ILE  QG2   161 SER  HN      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2524, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr1=2491,2492,2493,
 &end
#
# 158 ILE  QG2   161 SER  QB      8.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=11.59, r4=12.09,
 igr1=2491,2492,2493,
 igr2=2528,2529,
 &end
#
# 158 ILE  QG2   162 ILE  HN      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2535, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr1=2491,2492,2493,
 &end
#
# 158 ILE  QG2   162 ILE  HA      6.40                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2537, r1= 1.30, r2= 1.80, r3= 7.69, r4= 8.19,
 igr1=2491,2492,2493,
 &end
#
# 158 ILE  QG2   162 ILE  QG1     8.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=11.59, r4=12.09,
 igr1=2491,2492,2493,
 igr2=2545,2546,
 &end
#
# 158 ILE  QG2   162 ILE  QD1     8.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=12.40, r4=12.90,
 igr1=2491,2492,2493,
 igr2=2548,2549,2550,
 &end
#
# 158 ILE  QG2   163 ALA  HN      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2554, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr1=2491,2492,2493,
 &end
#
# 158 ILE  QG1   159 ALA  HN      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2504, r1= 1.30, r2= 1.80, r3= 8.53, r4= 9.03,
 igr1=2495,2496,
 &end
#
# 158 ILE  QD1   159 ALA  HN      6.30                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2504, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1=2498,2499,2500,
 &end
#
# 159 ALA  HN    159 ALA  QB      3.40                
 &rst
  ixpk= 0, nxpk= 0, iat=2504,  -1, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58,
 igr2=2508,2509,2510,
 &end
#
# 159 ALA  HN    160 ALA  HN      4.10                
 &rst
  ixpk= 0, nxpk= 0, iat=2504,2514, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,  &end
#
# 159 ALA  HN    161 SER  HN      6.20                
 &rst
  ixpk= 0, nxpk= 0, iat=2504,2524, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70,  &end
#
# 159 ALA  HA    161 SER  HN      6.00                
 &rst
  ixpk= 0, nxpk= 0, iat=2506,2524, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
# 159 ALA  HA    162 ILE  HB      5.60                
 &rst
  ixpk= 0, nxpk= 0, iat=2506,2539, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,  &end
#
# 159 ALA  HA    162 ILE  QD1     7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=2506,  -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr2=2548,2549,2550,
 &end
#
# 159 ALA  QB    161 SER  HN      6.10                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2524, r1= 1.30, r2= 1.80, r3= 7.33, r4= 7.83,
 igr1=2508,2509,2510,
 &end
#
# 159 ALA  QB    162 ILE  HN      6.00                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2535, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1=2508,2509,2510,
 &end
#
# 160 ALA  HN    160 ALA  QB      3.40                
 &rst
  ixpk= 0, nxpk= 0, iat=2514,  -1, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58,
 igr2=2518,2519,2520,
 &end
#
# 160 ALA  HN    161 SER  HN      3.40                
 &rst
  ixpk= 0, nxpk= 0, iat=2514,2524, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90,  &end
#
# 160 ALA  HN    162 ILE  HN      6.30                
 &rst
  ixpk= 0, nxpk= 0, iat=2514,2535, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,  &end
#
# 160 ALA  HA    163 ALA  HN      6.20                
 &rst
  ixpk= 0, nxpk= 0, iat=2516,2554, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70,  &end
#
# 160 ALA  HA    163 ALA  QB      4.60                
 &rst
  ixpk= 0, nxpk= 0, iat=2516,  -1, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02,
 igr2=2558,2559,2560,
 &end
#
# 160 ALA  QB    161 SER  HN      3.40                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2524, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58,
 igr1=2518,2519,2520,
 &end
#
# 160 ALA  QB    162 ILE  HN      6.30                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2535, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1=2518,2519,2520,
 &end
#
# 161 SER  HN    162 ILE  HN      4.40                
 &rst
  ixpk= 0, nxpk= 0, iat=2524,2535, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,  &end
#
# 161 SER  HN    162 ILE  HB      5.10                
 &rst
  ixpk= 0, nxpk= 0, iat=2524,2539, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,  &end
#
# 161 SER  HN    162 ILE  QG2     7.40                
 &rst
  ixpk= 0, nxpk= 0, iat=2524,  -1, r1= 1.30, r2= 1.80, r3= 8.89, r4= 9.39,
 igr2=2541,2542,2543,
 &end
#
# 161 SER  HN    162 ILE  QG1     7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=2524,  -1, r1= 1.30, r2= 1.80, r3= 8.53, r4= 9.03,
 igr2=2545,2546,
 &end
#
# 161 SER  HN    162 ILE  QD1     7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=2524,  -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr2=2548,2549,2550,
 &end
#
# 161 SER  HN    163 ALA  HN      6.50                
 &rst
  ixpk= 0, nxpk= 0, iat=2524,2554, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,  &end
#
# 161 SER  HA    163 ALA  HN      5.50                
 &rst
  ixpk= 0, nxpk= 0, iat=2526,2554, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 161 SER  HA    164 THR  HN      4.80                
 &rst
  ixpk= 0, nxpk= 0, iat=2526,2564, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,  &end
#
# 161 SER  HA    164 THR  QG2     7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=2526,  -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr2=2570,2571,2572,
 &end
#
# 162 ILE  HN    162 ILE  QG1     6.90                
 &rst
  ixpk= 0, nxpk= 0, iat=2535,  -1, r1= 1.30, r2= 1.80, r3= 7.74, r4= 8.24,
 igr2=2545,2546,
 &end
#
# 162 ILE  HN    162 ILE  QD1     5.30                
 &rst
  ixpk= 0, nxpk= 0, iat=2535,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr2=2548,2549,2550,
 &end
#
# 162 ILE  HN    163 ALA  HN      4.80                
 &rst
  ixpk= 0, nxpk= 0, iat=2535,2554, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,  &end
#
# 162 ILE  HN    164 THR  HN      6.50                
 &rst
  ixpk= 0, nxpk= 0, iat=2535,2564, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,  &end
#
# 162 ILE  HN    165 HIST HD2     6.60                
 &rst
  ixpk= 0, nxpk= 0, iat=2535,2591, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
# 162 ILE  HA    165 HIST HN      6.00                
 &rst
  ixpk= 0, nxpk= 0, iat=2537,2578, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
# 162 ILE  HA    165 HIST HB2     6.20                
 &rst
  ixpk= 0, nxpk= 0, iat=2537,2582, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70,  &end
#
# 162 ILE  HA    165 HIST HB3     6.20                
 &rst
  ixpk= 0, nxpk= 0, iat=2537,2583, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70,  &end
#
# 162 ILE  HA    165 HIST QB      5.75                
 &rst
  ixpk= 0, nxpk= 0, iat=2537,  -1, r1= 1.30, r2= 1.80, r3= 6.45, r4= 6.95,
 igr2=2582,2583,
 &end
#
# 162 ILE  HA    165 HIST HD2     5.50                
 &rst
  ixpk= 0, nxpk= 0, iat=2537,2591, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 162 ILE  HA    165 HIST HE1     6.60                
 &rst
  ixpk= 0, nxpk= 0, iat=2537,2587, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
# 162 ILE  HA    166 MET  HN      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat=2537,2595, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
# 162 ILE  HA    166 MET  QB      7.48                
 &rst
  ixpk= 0, nxpk= 0, iat=2537,  -1, r1= 1.30, r2= 1.80, r3= 8.40, r4= 8.90,
 igr2=2599,2600,
 &end
#
# 162 ILE  HB    163 ALA  HN      4.30                
 &rst
  ixpk= 0, nxpk= 0, iat=2539,2554, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,  &end
#
# 162 ILE  HB    164 THR  HN      5.80                
 &rst
  ixpk= 0, nxpk= 0, iat=2539,2564, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,  &end
#
# 162 ILE  QG2   163 ALA  HN      5.90                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2554, r1= 1.30, r2= 1.80, r3= 7.09, r4= 7.59,
 igr1=2541,2542,2543,
 &end
#
# 162 ILE  QG2   164 THR  HN      6.70                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2564, r1= 1.30, r2= 1.80, r3= 8.05, r4= 8.55,
 igr1=2541,2542,2543,
 &end
#
# 162 ILE  QG2   165 HIST HN      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2578, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
 igr1=2541,2542,2543,
 &end
#
# 162 ILE  QG1   163 ALA  HN      7.30                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2554, r1= 1.30, r2= 1.80, r3= 8.19, r4= 8.69,
 igr1=2545,2546,
 &end
#
# 162 ILE  QG1   165 HIST HD2     7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2591, r1= 1.30, r2= 1.80, r3= 8.53, r4= 9.03,
 igr1=2545,2546,
 &end
#
# 162 ILE  QD1   163 ALA  HN      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2554, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
 igr1=2548,2549,2550,
 &end
#
# 162 ILE  QD1   163 ALA  HA      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2556, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr1=2548,2549,2550,
 &end
#
# 163 ALA  HN    163 ALA  QB      3.40                
 &rst
  ixpk= 0, nxpk= 0, iat=2554,  -1, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58,
 igr2=2558,2559,2560,
 &end
#
# 163 ALA  HN    164 THR  HN      4.40                
 &rst
  ixpk= 0, nxpk= 0, iat=2554,2564, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,  &end
#
# 163 ALA  HA    166 MET  HN      6.00                
 &rst
  ixpk= 0, nxpk= 0, iat=2556,2595, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
# 163 ALA  HA    166 MET  HB2     5.70                
 &rst
  ixpk= 0, nxpk= 0, iat=2556,2599, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,  &end
#
# 163 ALA  HA    166 MET  HB3     5.70                
 &rst
  ixpk= 0, nxpk= 0, iat=2556,2600, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,  &end
#
# 163 ALA  HA    166 MET  QB      5.34                
 &rst
  ixpk= 0, nxpk= 0, iat=2556,  -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
 igr2=2599,2600,
 &end
#
# 163 ALA  HA    167 ARG+ HN      5.00                
 &rst
  ixpk= 0, nxpk= 0, iat=2556,2612, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 163 ALA  QB    164 THR  HN      3.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2564, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82,
 igr1=2558,2559,2560,
 &end
#
# 163 ALA  QB    165 HIST HN      6.50                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2578, r1= 1.30, r2= 1.80, r3= 7.81, r4= 8.31,
 igr1=2558,2559,2560,
 &end
#
# 164 THR  HN    164 THR  HB      4.00                
 &rst
  ixpk= 0, nxpk= 0, iat=2564,2568, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
# 164 THR  HN    164 THR  QG2     4.50                
 &rst
  ixpk= 0, nxpk= 0, iat=2564,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2=2570,2571,2572,
 &end
#
# 164 THR  HN    165 HIST HN      3.50                
 &rst
  ixpk= 0, nxpk= 0, iat=2564,2578, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
# 164 THR  HN    165 HIST HB2     6.60                
 &rst
  ixpk= 0, nxpk= 0, iat=2564,2582, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
# 164 THR  HN    165 HIST HB3     6.60                
 &rst
  ixpk= 0, nxpk= 0, iat=2564,2583, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
# 164 THR  HN    165 HIST QB      6.39                
 &rst
  ixpk= 0, nxpk= 0, iat=2564,  -1, r1= 1.30, r2= 1.80, r3= 7.17, r4= 7.67,
 igr2=2582,2583,
 &end
#
# 164 THR  HN    165 HIST HD2     6.10                
 &rst
  ixpk= 0, nxpk= 0, iat=2564,2591, r1= 1.30, r2= 1.80, r3= 6.10, r4= 6.60,  &end
#
# 164 THR  HA    166 MET  HN      6.00                
 &rst
  ixpk= 0, nxpk= 0, iat=2566,2595, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
# 164 THR  HA    166 MET  QB      5.78                
 &rst
  ixpk= 0, nxpk= 0, iat=2566,  -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
 igr2=2599,2600,
 &end
#
# 164 THR  HA    167 ARG+ HN      5.70                
 &rst
  ixpk= 0, nxpk= 0, iat=2566,2612, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,  &end
#
# 164 THR  HB    165 HIST HN      4.00                
 &rst
  ixpk= 0, nxpk= 0, iat=2568,2578, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
# 164 THR  QG2   165 HIST HN      6.40                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2578, r1= 1.30, r2= 1.80, r3= 7.69, r4= 8.19,
 igr1=2570,2571,2572,
 &end
#
# 165 HIST HN    165 HIST HD2     4.80                
 &rst
  ixpk= 0, nxpk= 0, iat=2578,2591, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,  &end
#
# 165 HIST HN    165 HIST HE1     6.60                
 &rst
  ixpk= 0, nxpk= 0, iat=2578,2587, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
# 165 HIST HN    167 ARG+ HN      5.90                
 &rst
  ixpk= 0, nxpk= 0, iat=2578,2612, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,  &end
#
# 165 HIST HN    168 PRO  QG      7.48                
 &rst
  ixpk= 0, nxpk= 0, iat=2578,  -1, r1= 1.30, r2= 1.80, r3= 8.40, r4= 8.90,
 igr2=2640,2641,
 &end
#
# 165 HIST HA    165 HIST HD2     6.60                
 &rst
  ixpk= 0, nxpk= 0, iat=2580,2591, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
# 165 HIST HA    165 HIST HE1     6.60                
 &rst
  ixpk= 0, nxpk= 0, iat=2580,2587, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
# 165 HIST HA    168 PRO  HB2     5.30                
 &rst
  ixpk= 0, nxpk= 0, iat=2580,2643, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,  &end
#
# 165 HIST HA    168 PRO  HB3     5.30                
 &rst
  ixpk= 0, nxpk= 0, iat=2580,2644, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,  &end
#
# 165 HIST HA    168 PRO  QG      7.48                
 &rst
  ixpk= 0, nxpk= 0, iat=2580,  -1, r1= 1.30, r2= 1.80, r3= 8.40, r4= 8.90,
 igr2=2640,2641,
 &end
#
# 165 HIST HB2   166 MET  HN      4.90                
 &rst
  ixpk= 0, nxpk= 0, iat=2582,2595, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,  &end
#
# 165 HIST HB3   166 MET  HN      4.90                
 &rst
  ixpk= 0, nxpk= 0, iat=2583,2595, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,  &end
#
# 166 MET  HN    166 MET  HG2     5.70                
 &rst
  ixpk= 0, nxpk= 0, iat=2595,2602, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,  &end
#
# 166 MET  HN    166 MET  HG3     5.70                
 &rst
  ixpk= 0, nxpk= 0, iat=2595,2603, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,  &end
#
# 166 MET  HN    166 MET  QE      5.20                
 &rst
  ixpk= 0, nxpk= 0, iat=2595,  -1, r1= 1.30, r2= 1.80, r3= 6.24, r4= 6.74,
 igr2=2606,2607,2608,
 &end
#
# 166 MET  HN    167 ARG+ HN      4.80                
 &rst
  ixpk= 0, nxpk= 0, iat=2595,2612, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,  &end
#
# 166 MET  HN    169 TYR  QD      8.60                
 &rst
  ixpk= 0, nxpk= 0, iat=2595,  -1, r1= 1.30, r2= 1.80, r3= 9.65, r4=10.15,
 igr2=2658,2667,
 &end
#
# 166 MET  HA    166 MET  QE      6.80                
 &rst
  ixpk= 0, nxpk= 0, iat=2597,  -1, r1= 1.30, r2= 1.80, r3= 8.17, r4= 8.67,
 igr2=2606,2607,2608,
 &end
#
# 166 MET  HA    169 TYR  HN      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat=2597,2650, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
# 166 MET  HB2   166 MET  QE      5.30                
 &rst
  ixpk= 0, nxpk= 0, iat=2599,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr2=2606,2607,2608,
 &end
#
# 166 MET  HB2   167 ARG+ HN      4.00                
 &rst
  ixpk= 0, nxpk= 0, iat=2599,2612, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
# 166 MET  HB3   166 MET  QE      5.30                
 &rst
  ixpk= 0, nxpk= 0, iat=2600,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr2=2606,2607,2608,
 &end
#
# 166 MET  HB3   167 ARG+ HN      4.00                
 &rst
  ixpk= 0, nxpk= 0, iat=2600,2612, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
# 166 MET  QB    167 ARG+ HN      3.56                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2612, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
 igr1=2599,2600,
 &end
#
# 166 MET  QE    167 ARG+ HN      6.30                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2612, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1=2606,2607,2608,
 &end
#
# 167 ARG+ HN    167 ARG+ QD      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat=2612,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2=2622,2623,
 &end
#
# 168 PRO  HB2   169 TYR  QD      8.60                
 &rst
  ixpk= 0, nxpk= 0, iat=2643,  -1, r1= 1.30, r2= 1.80, r3= 9.65, r4=10.15,
 igr2=2658,2667,
 &end
#
# 168 PRO  HB2   169 TYR  QE      8.60                
 &rst
  ixpk= 0, nxpk= 0, iat=2643,  -1, r1= 1.30, r2= 1.80, r3= 9.65, r4=10.15,
 igr2=2660,2665,
 &end
#
# 168 PRO  HB3   169 TYR  QD      8.60                
 &rst
  ixpk= 0, nxpk= 0, iat=2644,  -1, r1= 1.30, r2= 1.80, r3= 9.65, r4=10.15,
 igr2=2658,2667,
 &end
#
# 168 PRO  HB3   169 TYR  QE      8.60                
 &rst
  ixpk= 0, nxpk= 0, iat=2644,  -1, r1= 1.30, r2= 1.80, r3= 9.65, r4=10.15,
 igr2=2660,2665,
 &end
#
# 168 PRO  QB    169 TYR  QD      8.21                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.34, r4=10.84,
 igr1=2643,2644,
 igr2=2658,2667,
 &end
#
# 168 PRO  HG2   169 TYR  QD      8.60                
 &rst
  ixpk= 0, nxpk= 0, iat=2640,  -1, r1= 1.30, r2= 1.80, r3= 9.65, r4=10.15,
 igr2=2658,2667,
 &end
#
# 168 PRO  HG2   169 TYR  QE      8.60                
 &rst
  ixpk= 0, nxpk= 0, iat=2640,  -1, r1= 1.30, r2= 1.80, r3= 9.65, r4=10.15,
 igr2=2660,2665,
 &end
#
# 168 PRO  HG3   169 TYR  QD      8.60                
 &rst
  ixpk= 0, nxpk= 0, iat=2641,  -1, r1= 1.30, r2= 1.80, r3= 9.65, r4=10.15,
 igr2=2658,2667,
 &end
#
# 168 PRO  HG3   169 TYR  QE      8.60                
 &rst
  ixpk= 0, nxpk= 0, iat=2641,  -1, r1= 1.30, r2= 1.80, r3= 9.65, r4=10.15,
 igr2=2660,2665,
 &end
#
# 168 PRO  QG    169 TYR  QD      8.41                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.60, r4=11.10,
 igr1=2640,2641,
 igr2=2658,2667,
 &end
#
# 168 PRO  QD    169 TYR  QD      9.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=12.10, r4=12.60,
 igr1=2637,2638,
 igr2=2658,2667,
 &end
#
# 168 PRO  QD    169 TYR  QE      9.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=12.10, r4=12.60,
 igr1=2637,2638,
 igr2=2660,2665,
 &end
#
# 169 TYR  HN    169 TYR  QE      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=2650,  -1, r1= 1.30, r2= 1.80, r3= 8.53, r4= 9.03,
 igr2=2660,2665,
 &end
#
# 169 TYR  HN    170 ARG+ HN      4.70                
 &rst
  ixpk= 0, nxpk= 0, iat=2650,2671, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,  &end
#
# 169 TYR  HN    171 LYS+ HN      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat=2650,2695, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
# 169 TYR  HB2   170 ARG+ HN      6.00                
 &rst
  ixpk= 0, nxpk= 0, iat=2654,2671, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
# 169 TYR  HB3   170 ARG+ HN      6.00                
 &rst
  ixpk= 0, nxpk= 0, iat=2655,2671, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
# 169 TYR  QB    171 LYS+ HN      6.88                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2695, r1= 1.30, r2= 1.80, r3= 7.72, r4= 8.22,
 igr1=2654,2655,
 &end
#
# 169 TYR  QD    170 ARG+ HN      8.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2671, r1= 1.30, r2= 1.80, r3= 9.65, r4=10.15,
 igr1=2658,2667,
 &end
#
# 169 TYR  QE    170 ARG+ HN      7.50                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2671, r1= 1.30, r2= 1.80, r3= 8.42, r4= 8.92,
 igr1=2660,2665,
 &end
#
# 170 ARG+ HN    170 ARG+ HG2     5.80                
 &rst
  ixpk= 0, nxpk= 0, iat=2671,2678, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,  &end
#
# 170 ARG+ HN    170 ARG+ HG3     5.80                
 &rst
  ixpk= 0, nxpk= 0, iat=2671,2679, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,  &end
#
# 170 ARG+ HN    170 ARG+ QD      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=2671,  -1, r1= 1.30, r2= 1.80, r3= 8.53, r4= 9.03,
 igr2=2681,2682,
 &end
#
# 170 ARG+ HN    171 LYS+ HN      4.90                
 &rst
  ixpk= 0, nxpk= 0, iat=2671,2695, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,  &end
#
# 170 ARG+ HA    170 ARG+ QD      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=2673,  -1, r1= 1.30, r2= 1.80, r3= 8.53, r4= 9.03,
 igr2=2681,2682,
 &end
#
# 170 ARG+ HA    171 LYS+ HN      3.50                
 &rst
  ixpk= 0, nxpk= 0, iat=2673,2695, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
# 170 ARG+ QD    171 LYS+ HN      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2695, r1= 1.30, r2= 1.80, r3= 8.53, r4= 9.03,
 igr1=2681,2682,
 &end
#
# 171 LYS+ HN    171 LYS+ HB2     4.20                
 &rst
  ixpk= 0, nxpk= 0, iat=2695,2699, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,  &end
#
# 171 LYS+ HN    171 LYS+ HB3     4.20                
 &rst
  ixpk= 0, nxpk= 0, iat=2695,2700, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,  &end
#
# 171 LYS+ HN    171 LYS+ HG2     5.90                
 &rst
  ixpk= 0, nxpk= 0, iat=2695,2702, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,  &end
#
# 171 LYS+ HN    171 LYS+ HG3     5.90                
 &rst
  ixpk= 0, nxpk= 0, iat=2695,2703, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,  &end
#
# 171 LYS+ HN    171 LYS+ QD      6.90                
 &rst
  ixpk= 0, nxpk= 0, iat=2695,  -1, r1= 1.30, r2= 1.80, r3= 7.74, r4= 8.24,
 igr2=2705,2706,
 &end
#
# 171 LYS+ HN    171 LYS+ QE      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=2695,  -1, r1= 1.30, r2= 1.80, r3= 8.53, r4= 9.03,
 igr2=2708,2709,
 &end
#
# 171 LYS+ HA    171 LYS+ QD      6.30                
 &rst
  ixpk= 0, nxpk= 0, iat=2697,  -1, r1= 1.30, r2= 1.80, r3= 7.07, r4= 7.57,
 igr2=2705,2706,
 &end
#
# 171 LYS+ HA    171 LYS+ QE      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=2697,  -1, r1= 1.30, r2= 1.80, r3= 8.53, r4= 9.03,
 igr2=2708,2709,
 &end
#
# 171 LYS+ HB2   172 LYS+ HN      4.00                
 &rst
  ixpk= 0, nxpk= 0, iat=2699,2717, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
# 171 LYS+ HB3   172 LYS+ HN      4.00                
 &rst
  ixpk= 0, nxpk= 0, iat=2700,2717, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
# 171 LYS+ QB    171 LYS+ QD      3.62                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06,
 igr1=2699,2700,
 igr2=2705,2706,
 &end
#
# 171 LYS+ QB    171 LYS+ QE      6.98                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.79, r4= 9.29,
 igr1=2699,2700,
 igr2=2708,2709,
 &end
#
# 171 LYS+ QB    172 LYS+ HN      3.51                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2717, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44,
 igr1=2699,2700,
 &end
#
# 171 LYS+ QB    173 SER  HN      7.48                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2739, r1= 1.30, r2= 1.80, r3= 8.40, r4= 8.90,
 igr1=2699,2700,
 &end
#
# 171 LYS+ QG    172 LYS+ HN      6.48                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2717, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr1=2702,2703,
 &end
#
# 171 LYS+ QD    172 LYS+ HN      3.40                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2717, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32,
 igr1=2705,2706,
 &end
#
# 172 LYS+ HN    172 LYS+ HB2     4.10                
 &rst
  ixpk= 0, nxpk= 0, iat=2717,2721, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,  &end
#
# 172 LYS+ HN    172 LYS+ HB3     4.10                
 &rst
  ixpk= 0, nxpk= 0, iat=2717,2722, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,  &end
#
# 172 LYS+ HN    172 LYS+ QB      3.57                
 &rst
  ixpk= 0, nxpk= 0, iat=2717,  -1, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51,
 igr2=2721,2722,
 &end
#
# 172 LYS+ HN    172 LYS+ QG      4.08                
 &rst
  ixpk= 0, nxpk= 0, iat=2717,  -1, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
 igr2=2724,2725,
 &end
#
# 172 LYS+ HN    172 LYS+ QD      7.20                
 &rst
  ixpk= 0, nxpk= 0, iat=2717,  -1, r1= 1.30, r2= 1.80, r3= 8.08, r4= 8.58,
 igr2=2727,2728,
 &end
#
# 172 LYS+ HN    172 LYS+ QE      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=2717,  -1, r1= 1.30, r2= 1.80, r3= 8.53, r4= 9.03,
 igr2=2730,2731,
 &end
#
# 172 LYS+ HN    173 SER  HN      4.60                
 &rst
  ixpk= 0, nxpk= 0, iat=2717,2739, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,  &end
#
# 172 LYS+ HA    172 LYS+ QD      6.30                
 &rst
  ixpk= 0, nxpk= 0, iat=2719,  -1, r1= 1.30, r2= 1.80, r3= 7.07, r4= 7.57,
 igr2=2727,2728,
 &end
#
# 172 LYS+ HA    172 LYS+ QE      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=2719,  -1, r1= 1.30, r2= 1.80, r3= 8.53, r4= 9.03,
 igr2=2730,2731,
 &end
#
# 172 LYS+ HA    173 SER  HN      3.60                
 &rst
  ixpk= 0, nxpk= 0, iat=2719,2739, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,  &end
#
# 172 LYS+ HB2   172 LYS+ QD      3.40                
 &rst
  ixpk= 0, nxpk= 0, iat=2721,  -1, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32,
 igr2=2727,2728,
 &end
#
# 172 LYS+ HB2   172 LYS+ QE      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=2721,  -1, r1= 1.30, r2= 1.80, r3= 8.53, r4= 9.03,
 igr2=2730,2731,
 &end
#
# 172 LYS+ HB2   173 SER  HN      5.70                
 &rst
  ixpk= 0, nxpk= 0, iat=2721,2739, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,  &end
#
# 172 LYS+ HB3   172 LYS+ QD      3.40                
 &rst
  ixpk= 0, nxpk= 0, iat=2722,  -1, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32,
 igr2=2727,2728,
 &end
#
# 172 LYS+ HB3   172 LYS+ QE      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=2722,  -1, r1= 1.30, r2= 1.80, r3= 8.53, r4= 9.03,
 igr2=2730,2731,
 &end
#
# 172 LYS+ HB3   173 SER  HN      5.70                
 &rst
  ixpk= 0, nxpk= 0, iat=2722,2739, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,  &end
#
# 172 LYS+ QB    172 LYS+ QG      2.44                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.07, r4= 3.57,
 igr1=2721,2722,
 igr2=2724,2725,
 &end
#
# 172 LYS+ QB    173 SER  HN      5.48                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2739, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65,
 igr1=2721,2722,
 &end
#
# 172 LYS+ HG2   173 SER  HN      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat=2724,2739, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
# 172 LYS+ HG3   173 SER  HN      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat=2725,2739, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
# 172 LYS+ QG    173 SER  HN      6.39                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2739, r1= 1.30, r2= 1.80, r3= 7.17, r4= 7.67,
 igr1=2724,2725,
 &end
#
# 172 LYS+ QE    173 SER  HN      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2739, r1= 1.30, r2= 1.80, r3= 8.53, r4= 9.03,
 igr1=2730,2731,
 &end


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