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
488378 2l3c cing 1-original 3 AMBER distance NOE simple


#
#
#   11 MET   QE     89 RA   H1'         4
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1617, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,

      rk2=50.0, rk3=50.0, ir6=1, ialtd=0,
 igr1= 164, 165, 166,
 &end
#
#   11 MET   QE     89 RA   H2          5
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1629, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 164, 165, 166,
 &end
#
#   11 MET   QE     90 RU   H2'         5
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1665, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 164, 165, 166,
 &end
#
#   11 MET   QE     95 RG   H1'         5
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1806, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 164, 165, 166,
 &end
#
#   11 MET   QE     96 RU   H1'         6
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1840, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 164, 165, 166,
 &end
#
#   10 LEU   QQD    95 RG   Q5'         5
 &rst
  ixpk= 0, nxpk= 0, iat= 140,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=1800,1801,
 &end
#
#   10 LEU   QQD    95 RG   H4'         5
 &rst
  ixpk= 0, nxpk= 0, iat= 140,1803, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   10 LEU   QB     95 RG   Q5'         6
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 138, 139,
 igr2=1800,1801,
 &end
#
#   10 LEU   QB     95 RG   H4'         6
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1803, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 138, 139,
 &end
#
#   10 LEU   QQD    96 RU   Q5'         6
 &rst
  ixpk= 0, nxpk= 0, iat= 140,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2=1834,1835,
 &end
#
#   10 LEU   QQD    96 RU   H4'         6
 &rst
  ixpk= 0, nxpk= 0, iat= 140,1837, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   58 LYS   QE     95 RG   Q5'         5
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 890, 891,
 igr2=1800,1801,
 &end
#
#   58 LYS   QE     95 RG   H4'         5
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1803, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 890, 891,
 &end
#
#   58 LYS   QE     95 RG   H3'         6
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1823, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 890, 891,
 &end
#
#   58 LYS   QE     94 RU   H2'         5
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1791, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 890, 891,
 &end
#
#   55 LYS   QE     96 RU   Q5'         5
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 836, 837,
 igr2=1834,1835,
 &end
#
#   55 LYS   QE     96 RU   H4'         5
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1837, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 836, 837,
 &end
#
#   55 LYS   QD     96 RU   Q5'         6
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 833, 834,
 igr2=1834,1835,
 &end
#
#   55 LYS   QD     96 RU   H4'         6
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1837, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 833, 834,
 &end
#
#   54 LYS   QE     82 RU   Q5'         7
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.82, r4= 9.32,
 igr1= 814, 815,
 igr2=1388,1389,
 &end
#
#   54 LYS   QE     82 RU   H4'         7
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1391, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1= 814, 815,
 &end
#
#   54 LYS   QE     81 RA   Q5'         5
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 814, 815,
 igr2=1355,1356,
 &end
#
#   54 LYS   QE     81 RA   H4'         5
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1358, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 814, 815,
 &end
#
#   53 THR   QG2    80 RU   H4'         5
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1328, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 793, 794, 795,
 &end
#
#   53 THR   QG2    80 RU   Q5'         5
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 793, 794, 795,
 igr2=1325,1326,
 &end
#
#   53 THR   HB     80 RU   H4'         5
 &rst
  ixpk= 0, nxpk= 0, iat= 791,1328, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   53 THR   HA     80 RU   H4'         5
 &rst
  ixpk= 0, nxpk= 0, iat= 789,1328, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   31 VAL   QQG   105 RU   H1'         4
 &rst
  ixpk= 0, nxpk= 0, iat= 475,2124, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   31 VAL   QQG   104 RG   H8          6
 &rst
  ixpk= 0, nxpk= 0, iat= 475,2093, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   31 VAL   QQG    78 RA   H2          7
 &rst
  ixpk= 0, nxpk= 0, iat= 475,1276, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#   34 PRO   QG   80   RU   H4'         4
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1328, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 519, 520,
 &end
#
#   34 PRO   QG   80   RU   H1'         6
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1331, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 519, 520,
 &end
#
#   34 PRO   QG   80   RU   Q5'         4
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1= 519, 520,
 igr2=1325,1326,
 &end
#
#   34 PRO   QD   80   RU   Q5'         5
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 516, 517,
 igr2=1325,1326,
 &end
#
#   34 PRO   QD   80   RU   H4'         5
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1328, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 516, 517,
 &end
#
#   32 HIS   QB     78 RA   H2          5
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1276, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 492, 493,
 &end
#
#   24 LEU   HB3    25 LEU  H        4.36
 (# AtnosCandid restraints (rbm1-ac2)                   )
 &rst
  ixpk= 0, nxpk= 0, iat= 376, 390, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86,  &end
#
#   25 LEU   H      38 MET  HG2      5.36
 &rst
  ixpk= 0, nxpk= 0, iat= 390, 591, r1= 1.30, r2= 1.80, r3= 5.36, r4= 5.86,  &end
#
#   40 VAL   HA     41 GLU  H        3.55
 &rst
  ixpk= 0, nxpk= 0, iat= 614, 628, r1= 1.30, r2= 1.80, r3= 3.55, r4= 4.05,  &end
#
#   41 GLU   H      41 GLU  HB3      3.83
 &rst
  ixpk= 0, nxpk= 0, iat= 628, 633, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33,  &end
#
#   41 GLU   H      41 GLU  HB2      3.94
 &rst
  ixpk= 0, nxpk= 0, iat= 628, 632, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44,  &end
#
#   40 VAL   HB     41 GLU  H        4.43
 &rst
  ixpk= 0, nxpk= 0, iat= 616, 628, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93,  &end
#
#   41 GLU   H      42 VAL  H        5.01
 &rst
  ixpk= 0, nxpk= 0, iat= 628, 643, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51,  &end
#
#   40 VAL   H      41 GLU  H        4.81
 &rst
  ixpk= 0, nxpk= 0, iat= 612, 628, r1= 1.30, r2= 1.80, r3= 4.81, r4= 5.31,  &end
#
#   23 MET   HG2    41 GLU  H        5.31
 &rst
  ixpk= 0, nxpk= 0, iat= 361, 628, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,  &end
#
#    5 LEU   H       5 LEU  QQD      6.97
 &rst
  ixpk= 0, nxpk= 0, iat=  55,  61, r1= 1.30, r2= 1.80, r3= 6.97, r4= 7.47,  &end
#
#    5 LEU   H       5 LEU  QB       4.08
 &rst
  ixpk= 0, nxpk= 0, iat=  55,  -1, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
 igr2=  59,  60,
 &end
#
#   47 PHE   H      65 ALA  QB       4.93
 &rst
  ixpk= 0, nxpk= 0, iat= 713,  -1, r1= 1.30, r2= 1.80, r3= 5.92, r4= 6.42,
 igr2= 996, 997, 998,
 &end
#
#   47 PHE   H      47 PHE  HD       4.40
 &rst
  ixpk= 0, nxpk= 0, iat= 713,  -1, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
 igr2= 721, 729,
 &end
#
#   46 VAL   H      47 PHE  H        4.72
 &rst
  ixpk= 0, nxpk= 0, iat= 697, 713, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,  &end
#
#   41 GLU   HA     47 PHE  H        4.61
 &rst
  ixpk= 0, nxpk= 0, iat= 630, 713, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,  &end
#
#   40 VAL   HA     47 PHE  H        4.88
 &rst
  ixpk= 0, nxpk= 0, iat= 614, 713, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,  &end
#
#   24 LEU   H      38 MET  HA       5.15
 &rst
  ixpk= 0, nxpk= 0, iat= 371, 586, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,  &end
#
#   38 MET   H      50 SER  HA       4.94
 &rst
  ixpk= 0, nxpk= 0, iat= 584, 757, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,  &end
#
#   38 MET   H      50 SER  QB       5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 584,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 759, 760,
 &end
#
#   25 LEU   QQD    38 MET  H        6.71
 &rst
  ixpk= 0, nxpk= 0, iat= 396, 584, r1= 1.30, r2= 1.80, r3= 6.71, r4= 7.21,  &end
#
#   37 VAL   HB     38 MET  H        4.88
 &rst
  ixpk= 0, nxpk= 0, iat= 572, 584, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,  &end
#
#   37 VAL   QG1    38 MET  H        4.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 584, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 574, 575, 576,
 &end
#
#   38 MET   H      38 MET  HG2      5.16
 &rst
  ixpk= 0, nxpk= 0, iat= 584, 591, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,  &end
#
#   36 PHE   H      50 SER  QB       5.01
 &rst
  ixpk= 0, nxpk= 0, iat= 548,  -1, r1= 1.30, r2= 1.80, r3= 5.62, r4= 6.12,
 igr2= 759, 760,
 &end
#
#   36 PHE   H      36 PHE  HD       4.72
 &rst
  ixpk= 0, nxpk= 0, iat= 548,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr2= 556, 564,
 &end
#
#   21 GLN   H      22 TYR  H        5.02
 &rst
  ixpk= 0, nxpk= 0, iat= 316, 333, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52,  &end
#
#   21 GLN   HB2    22 TYR  H        4.31
 &rst
  ixpk= 0, nxpk= 0, iat= 320, 333, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81,  &end
#
#   22 TYR   H      22 TYR  HD       4.05
 &rst
  ixpk= 0, nxpk= 0, iat= 333,  -1, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05,
 igr2= 341, 350,
 &end
#
#   21 GLN   HA     22 TYR  H        3.39
 &rst
  ixpk= 0, nxpk= 0, iat= 318, 333, r1= 1.30, r2= 1.80, r3= 3.39, r4= 3.89,  &end
#
#   21 GLN   HB3    22 TYR  H        4.27
 &rst
  ixpk= 0, nxpk= 0, iat= 321, 333, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,  &end
#
#   22 TYR   H      40 VAL  QG2      5.36
 &rst
  ixpk= 0, nxpk= 0, iat= 333,  -1, r1= 1.30, r2= 1.80, r3= 6.44, r4= 6.94,
 igr2= 622, 623, 624,
 &end
#
#   42 VAL   H      47 PHE  HD       4.97
 &rst
  ixpk= 0, nxpk= 0, iat= 643,  -1, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08,
 igr2= 721, 729,
 &end
#
#   42 VAL   H      46 VAL  QQG      6.79
 &rst
  ixpk= 0, nxpk= 0, iat= 643, 700, r1= 1.30, r2= 1.80, r3= 6.79, r4= 7.29,  &end
#
#   42 VAL   H      44 GLY  H        5.12
 &rst
  ixpk= 0, nxpk= 0, iat= 643, 673, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,  &end
#
#   42 VAL   H      46 VAL  HA       4.05
 &rst
  ixpk= 0, nxpk= 0, iat= 643, 699, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55,  &end
#
#   73 PRO   QG     74 ASN  H        4.86
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1143, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96,
 igr1=1133,1134,
 &end
#
#   73 PRO   HD2    74 ASN  H        5.32
 &rst
  ixpk= 0, nxpk= 0, iat=1130,1143, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82,  &end
#
#   23 MET   H      23 MET  HB3      4.01
 &rst
  ixpk= 0, nxpk= 0, iat= 354, 359, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51,  &end
#
#   22 TYR   HB3    23 MET  H        4.84
 &rst
  ixpk= 0, nxpk= 0, iat= 338, 354, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,  &end
#
#   22 TYR   HD     23 MET  H        5.15
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 354, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28,
 igr1= 341, 350,
 &end
#
#   22 TYR   H      23 MET  H        4.78
 &rst
  ixpk= 0, nxpk= 0, iat= 333, 354, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28,  &end
#
#   23 MET   H      23 MET  HB2      3.92
 &rst
  ixpk= 0, nxpk= 0, iat= 354, 358, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42,  &end
#
#   20 LEU   QD2    23 MET  H        5.35
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 354, r1= 1.30, r2= 1.80, r3= 6.43, r4= 6.93,
 igr1= 310, 311, 312,
 &end
#
#   23 MET   H      40 VAL  HA       5.16
 &rst
  ixpk= 0, nxpk= 0, iat= 354, 614, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,  &end
#
#   23 MET   H      40 VAL  QG2      5.35
 &rst
  ixpk= 0, nxpk= 0, iat= 354,  -1, r1= 1.30, r2= 1.80, r3= 6.43, r4= 6.93,
 igr2= 622, 623, 624,
 &end
#
#   23 MET   H      46 VAL  QQG       7.7
 &rst
  ixpk= 0, nxpk= 0, iat= 354, 700, r1= 1.30, r2= 1.80, r3= 7.70, r4= 8.20,  &end
#
#    8 ASN   H       9 ALA  H        4.22
 &rst
  ixpk= 0, nxpk= 0, iat= 110, 124, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72,  &end
#
#    5 LEU   QQD     8 ASN  H         7.7
 &rst
  ixpk= 0, nxpk= 0, iat=  61, 110, r1= 1.30, r2= 1.80, r3= 7.70, r4= 8.20,  &end
#
#    8 ASN   H      11 MET  QE       5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 110,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 164, 165, 166,
 &end
#
#   65 ALA   H      66 LEU  H        4.17
 &rst
  ixpk= 0, nxpk= 0, iat= 992,1002, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67,  &end
#
#   64 LYS   H      65 ALA  H        3.81
 &rst
  ixpk= 0, nxpk= 0, iat= 970, 992, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31,  &end
#
#   47 PHE   HD     65 ALA  H        4.77
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 992, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85,
 igr1= 721, 729,
 &end
#
#   64 LYS   QB     65 ALA  H        3.68
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 992, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63,
 igr1= 974, 975,
 &end
#
#   47 PHE   HB3    65 ALA  H        5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 718, 992, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   59 LEU   QD2    61 ALA  H        5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 935, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 912, 913, 914,
 &end
#
#   56 LYS   QD     57 ALA  H        4.75
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 867, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83,
 igr1= 855, 856,
 &end
#
#   57 ALA   H      57 ALA  QB       4.05
 &rst
  ixpk= 0, nxpk= 0, iat= 867,  -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
 igr2= 871, 872, 873,
 &end
#
#   54 LYS   HA     57 ALA  H        5.11
 &rst
  ixpk= 0, nxpk= 0, iat= 803, 867, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61,  &end
#
#   49 GLY   HA3    61 ALA  H        3.10
 &rst
  ixpk= 0, nxpk= 0, iat= 751, 935, r1= 1.30, r2= 1.80, r3= 3.10, r4= 3.60,  &end
#
#   41 GLU   HA     46 VAL  H        4.67
 &rst
  ixpk= 0, nxpk= 0, iat= 630, 697, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,  &end
#
#   39 SER   HA     48 GLU  H        5.17
 &rst
  ixpk= 0, nxpk= 0, iat= 603, 733, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67,  &end
#
#   47 PHE   H      48 GLU  H        4.92
 &rst
  ixpk= 0, nxpk= 0, iat= 713, 733, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,  &end
#
#   47 PHE   HB2    48 GLU  H        4.73
 &rst
  ixpk= 0, nxpk= 0, iat= 717, 733, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,  &end
#
#   48 GLU   H      48 GLU  QB       4.03
 &rst
  ixpk= 0, nxpk= 0, iat= 733,  -1, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02,
 igr2= 737, 738,
 &end
#
#   16 ILE   H      17 LYS  H        3.76
 &rst
  ixpk= 0, nxpk= 0, iat= 235, 254, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26,  &end
#
#   16 ILE   HG13   17 LYS  H        4.11
 &rst
  ixpk= 0, nxpk= 0, iat= 246, 254, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,  &end
#
#   17 LYS   H      18 PRO  HD2      5.09
 &rst
  ixpk= 0, nxpk= 0, iat= 254, 277, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,  &end
#
#   17 LYS   H      17 LYS  QG       4.96
 &rst
  ixpk= 0, nxpk= 0, iat= 254,  -1, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07,
 igr2= 261, 262,
 &end
#
#   13 LEU   QD1    17 LYS  H        4.64
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 254, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07,
 igr1= 196, 197, 198,
 &end
#
#   45 GLN   HA     46 VAL  H        3.14
 &rst
  ixpk= 0, nxpk= 0, iat= 682, 697, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,  &end
#
#   46 VAL   H      46 VAL  HB       3.31
 &rst
  ixpk= 0, nxpk= 0, iat= 697, 701, r1= 1.30, r2= 1.80, r3= 3.31, r4= 3.81,  &end
#
#   20 LEU   H      20 LEU  QD1      3.47
 &rst
  ixpk= 0, nxpk= 0, iat= 297,  -1, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67,
 igr2= 306, 307, 308,
 &end
#
#   45 GLN   H      46 VAL  H        4.43
 &rst
  ixpk= 0, nxpk= 0, iat= 680, 697, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93,  &end
#
#   47 PHE   HD     48 GLU  H        4.99
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 733, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,
 igr1= 721, 729,
 &end
#
#    4 VAL   H       4 VAL  HB       4.16
 &rst
  ixpk= 0, nxpk= 0, iat=  39,  43, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66,  &end
#
#    4 VAL   H       4 VAL  QQG      6.74
 &rst
  ixpk= 0, nxpk= 0, iat=  39,  42, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,  &end
#
#   36 PHE   H      37 VAL  H        5.11
 &rst
  ixpk= 0, nxpk= 0, iat= 548, 568, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61,  &end
#
#   36 PHE   HB2    37 VAL  H        4.74
 &rst
  ixpk= 0, nxpk= 0, iat= 552, 568, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,  &end
#
#   20 LEU   HB2    21 GLN  H        4.53
 &rst
  ixpk= 0, nxpk= 0, iat= 301, 316, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,  &end
#
#   21 GLN   H      40 VAL  QG2      5.13
 &rst
  ixpk= 0, nxpk= 0, iat= 316,  -1, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66,
 igr2= 622, 623, 624,
 &end
#
#   41 GLU   HA     45 GLN  H        4.93
 &rst
  ixpk= 0, nxpk= 0, iat= 630, 680, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43,  &end
#
#   43 ASN   HB3    45 GLN  H        5.17
 &rst
  ixpk= 0, nxpk= 0, iat= 664, 680, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67,  &end
#
#   42 VAL   QG2    45 GLN  H        5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 680, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 653, 654, 655,
 &end
#
#   45 GLN   H      47 PHE  HE       5.27
 &rst
  ixpk= 0, nxpk= 0, iat= 680,  -1, r1= 1.30, r2= 1.80, r3= 5.92, r4= 6.42,
 igr2= 723, 727,
 &end
#
#   45 GLN   H      45 GLN  HB3      3.57
 &rst
  ixpk= 0, nxpk= 0, iat= 680, 685, r1= 1.30, r2= 1.80, r3= 3.57, r4= 4.07,  &end
#
#   45 GLN   H      45 GLN  HB2      3.97
 &rst
  ixpk= 0, nxpk= 0, iat= 680, 684, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47,  &end
#
#   42 VAL   H      45 GLN  H        4.07
 &rst
  ixpk= 0, nxpk= 0, iat= 643, 680, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57,  &end
#
#   45 GLN   H      46 VAL  QQG      7.14
 &rst
  ixpk= 0, nxpk= 0, iat= 680, 700, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,  &end
#
#   40 VAL   H      46 VAL  HA       4.90
 &rst
  ixpk= 0, nxpk= 0, iat= 612, 699, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,  &end
#
#   40 VAL   H      47 PHE  H        4.51
 &rst
  ixpk= 0, nxpk= 0, iat= 612, 713, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01,  &end
#
#   36 PHE   HD     37 VAL  H        4.97
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 568, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08,
 igr1= 556, 564,
 &end
#
#   40 VAL   H      48 GLU  HA       4.63
 &rst
  ixpk= 0, nxpk= 0, iat= 612, 735, r1= 1.30, r2= 1.80, r3= 4.63, r4= 5.13,  &end
#
#   39 SER   HB3    40 VAL  H        4.33
 &rst
  ixpk= 0, nxpk= 0, iat= 606, 612, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,  &end
#
#   39 SER   HB2    40 VAL  H        4.45
 &rst
  ixpk= 0, nxpk= 0, iat= 605, 612, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95,  &end
#
#    9 ALA   H      63 GLU  HG2      5.35
 &rst
  ixpk= 0, nxpk= 0, iat= 124, 962, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85,  &end
#
#   13 LEU   H      13 LEU  HB3      4.07
 &rst
  ixpk= 0, nxpk= 0, iat= 187, 192, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57,  &end
#
#   12 GLN   H      13 LEU  H        4.79
 &rst
  ixpk= 0, nxpk= 0, iat= 170, 187, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,  &end
#
#   13 LEU   H      14 ASN  H        4.52
 &rst
  ixpk= 0, nxpk= 0, iat= 187, 206, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02,  &end
#
#   13 LEU   H      13 LEU  HG       5.27
 &rst
  ixpk= 0, nxpk= 0, iat= 187, 194, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77,  &end
#
#   35 LEU   H      35 LEU  QD2      4.86
 &rst
  ixpk= 0, nxpk= 0, iat= 529,  -1, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
 igr2= 542, 543, 544,
 &end
#
#   35 LEU   H      36 PHE  H        5.08
 &rst
  ixpk= 0, nxpk= 0, iat= 529, 548, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,  &end
#
#   69 PHE   H      69 PHE  HD       4.62
 &rst
  ixpk= 0, nxpk= 0, iat=1056,  -1, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,
 igr2=1064,1072,
 &end
#
#   68 SER   HB2    69 PHE  H        4.85
 &rst
  ixpk= 0, nxpk= 0, iat=1049,1056, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,  &end
#
#   69 PHE   H      69 PHE  HB3      3.99
 &rst
  ixpk= 0, nxpk= 0, iat=1056,1061, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49,  &end
#
#   69 PHE   H      69 PHE  HB2      3.86
 &rst
  ixpk= 0, nxpk= 0, iat=1056,1060, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36,  &end
#
#   69 PHE   H      70 VAL  QQG      7.59
 &rst
  ixpk= 0, nxpk= 0, iat=1056,1079, r1= 1.30, r2= 1.80, r3= 7.59, r4= 8.09,  &end
#
#   58 LYS   HG2    59 LEU  H        5.34
 &rst
  ixpk= 0, nxpk= 0, iat= 884, 899, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,  &end
#
#   69 PHE   H      70 VAL  H        4.95
 &rst
  ixpk= 0, nxpk= 0, iat=1056,1076, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,  &end
#
#   70 VAL   H      70 VAL  QQG      6.82
 &rst
  ixpk= 0, nxpk= 0, iat=1076,1079, r1= 1.30, r2= 1.80, r3= 6.82, r4= 7.32,  &end
#
#   63 GLU   HA     66 LEU  H        4.86
 &rst
  ixpk= 0, nxpk= 0, iat= 957,1002, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,  &end
#
#   66 LEU   H      67 ARG  H        4.01
 &rst
  ixpk= 0, nxpk= 0, iat=1002,1021, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51,  &end
#
#   66 LEU   H      66 LEU  HB3      3.42
 &rst
  ixpk= 0, nxpk= 0, iat=1002,1007, r1= 1.30, r2= 1.80, r3= 3.42, r4= 3.92,  &end
#
#   65 ALA   QB     66 LEU  H        4.02
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1002, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
 igr1= 996, 997, 998,
 &end
#
#   60 HIS   HA     62 ALA  H        4.74
 &rst
  ixpk= 0, nxpk= 0, iat= 920, 945, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,  &end
#
#   60 HIS   H      61 ALA  QB       5.46
 &rst
  ixpk= 0, nxpk= 0, iat= 918,  -1, r1= 1.30, r2= 1.80, r3= 6.56, r4= 7.06,
 igr2= 939, 940, 941,
 &end
#
#   59 LEU   HG     60 HIS  H        5.09
 &rst
  ixpk= 0, nxpk= 0, iat= 906, 918, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,  &end
#
#    9 ALA   QB     60 HIS  H        5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 918, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 128, 129, 130,
 &end
#
#   60 HIS   H      60 HIS  HD2      4.58
 &rst
  ixpk= 0, nxpk= 0, iat= 918, 931, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,  &end
#
#   60 HIS   H      63 GLU  HG2      5.26
 &rst
  ixpk= 0, nxpk= 0, iat= 918, 962, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76,  &end
#
#   60 HIS   H      62 ALA  QB       5.39
 &rst
  ixpk= 0, nxpk= 0, iat= 918,  -1, r1= 1.30, r2= 1.80, r3= 6.47, r4= 6.97,
 igr2= 949, 950, 951,
 &end
#
#   63 GLU   HB3    64 LYS  H        4.91
 &rst
  ixpk= 0, nxpk= 0, iat= 960, 970, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,  &end
#
#   64 LYS   H      64 LYS  QB       3.75
 &rst
  ixpk= 0, nxpk= 0, iat= 970,  -1, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71,
 igr2= 974, 975,
 &end
#
#   63 GLU   H      64 LYS  H        4.14
 &rst
  ixpk= 0, nxpk= 0, iat= 955, 970, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64,  &end
#
#   64 LYS   H      65 ALA  QB       4.86
 &rst
  ixpk= 0, nxpk= 0, iat= 970,  -1, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
 igr2= 996, 997, 998,
 &end
#
#   55 LYS   HD2    56 LYS  H        4.90
 &rst
  ixpk= 0, nxpk= 0, iat= 833, 845, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,  &end
#
#   60 HIS   HA     64 LYS  H        5.08
 &rst
  ixpk= 0, nxpk= 0, iat= 920, 970, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,  &end
#
#   13 LEU   QD2    63 GLU  H        5.02
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 955, r1= 1.30, r2= 1.80, r3= 6.03, r4= 6.53,
 igr1= 200, 201, 202,
 &end
#
#   62 ALA   QB     63 GLU  H        4.43
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 955, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82,
 igr1= 949, 950, 951,
 &end
#
#    9 ALA   QB     63 GLU  H        4.73
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 955, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18,
 igr1= 128, 129, 130,
 &end
#
#   58 LYS   H      58 LYS  HG2      5.27
 &rst
  ixpk= 0, nxpk= 0, iat= 877, 884, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77,  &end
#
#   13 LEU   H      16 ILE  H        4.85
 &rst
  ixpk= 0, nxpk= 0, iat= 187, 235, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,  &end
#
#   15 GLU   HB2    16 ILE  H        4.85
 &rst
  ixpk= 0, nxpk= 0, iat= 224, 235, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,  &end
#
#   57 ALA   H      58 LYS  H        4.81
 &rst
  ixpk= 0, nxpk= 0, iat= 867, 877, r1= 1.30, r2= 1.80, r3= 4.81, r4= 5.31,  &end
#
#   10 LEU   HB2    12 GLN  H        5.06
 &rst
  ixpk= 0, nxpk= 0, iat= 138, 170, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,  &end
#
#   11 MET   H      12 GLN  H        4.72
 &rst
  ixpk= 0, nxpk= 0, iat= 153, 170, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,  &end
#
#   11 MET   HB3    12 GLN  H        4.94
 &rst
  ixpk= 0, nxpk= 0, iat= 158, 170, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,  &end
#
#   10 LEU   H      12 GLN  H        4.98
 &rst
  ixpk= 0, nxpk= 0, iat= 134, 170, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48,  &end
#
#   10 LEU   H      11 MET  QE       5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 134,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 164, 165, 166,
 &end
#
#   10 LEU   H      11 MET  H        4.57
 &rst
  ixpk= 0, nxpk= 0, iat= 134, 153, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07,  &end
#
#   11 MET   QG     12 GLN  H        5.40
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 170, r1= 1.30, r2= 1.80, r3= 6.06, r4= 6.56,
 igr1= 160, 161,
 &end
#
#   10 LEU   HB3    12 GLN  H        5.42
 &rst
  ixpk= 0, nxpk= 0, iat= 139, 170, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,  &end
#
#   13 LEU   HG     14 ASN  H        5.20
 &rst
  ixpk= 0, nxpk= 0, iat= 194, 206, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,  &end
#
#   13 LEU   HB2    14 ASN  H        4.85
 &rst
  ixpk= 0, nxpk= 0, iat= 191, 206, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,  &end
#
#   13 LEU   QD1    14 ASN  H        4.79
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 206, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25,
 igr1= 196, 197, 198,
 &end
#
#   67 ARG   H      67 ARG  HB3      3.52
 &rst
  ixpk= 0, nxpk= 0, iat=1021,1026, r1= 1.30, r2= 1.80, r3= 3.52, r4= 4.02,  &end
#
#   66 LEU   QD2    67 ARG  H        5.26
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1021, r1= 1.30, r2= 1.80, r3= 6.32, r4= 6.82,
 igr1=1015,1016,1017,
 &end
#
#   14 ASN   H      15 GLU  H        4.47
 &rst
  ixpk= 0, nxpk= 0, iat= 206, 220, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97,  &end
#
#   11 MET   HA     14 ASN  H        4.84
 &rst
  ixpk= 0, nxpk= 0, iat= 155, 206, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,  &end
#
#   14 ASN   H      14 ASN  QB       4.14
 &rst
  ixpk= 0, nxpk= 0, iat= 206,  -1, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,
 igr2= 210, 211,
 &end
#
#   14 ASN   H      15 GLU  HB2      4.82
 &rst
  ixpk= 0, nxpk= 0, iat= 206, 224, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32,  &end
#
#   22 TYR   HA     39 SER  H        5.14
 &rst
  ixpk= 0, nxpk= 0, iat= 335, 601, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,  &end
#
#   14 ASN   QB     15 GLU  H        5.16
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 220, r1= 1.30, r2= 1.80, r3= 5.79, r4= 6.29,
 igr1= 210, 211,
 &end
#
#   23 MET   HG2    39 SER  H        5.06
 &rst
  ixpk= 0, nxpk= 0, iat= 361, 601, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,  &end
#
#   24 LEU   HA     39 SER  H        4.98
 &rst
  ixpk= 0, nxpk= 0, iat= 373, 601, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48,  &end
#
#   38 MET   HB3    39 SER  H        4.16
 &rst
  ixpk= 0, nxpk= 0, iat= 589, 601, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66,  &end
#
#   39 SER   H      46 VAL  QQG      7.53
 &rst
  ixpk= 0, nxpk= 0, iat= 601, 700, r1= 1.30, r2= 1.80, r3= 7.53, r4= 8.03,  &end
#
#   13 LEU   HB3    15 GLU  H        5.15
 &rst
  ixpk= 0, nxpk= 0, iat= 192, 220, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,  &end
#
#   65 ALA   QB     68 SER  H        5.31
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1045, r1= 1.30, r2= 1.80, r3= 6.38, r4= 6.88,
 igr1= 996, 997, 998,
 &end
#
#   67 ARG   H      68 SER  H        4.06
 &rst
  ixpk= 0, nxpk= 0, iat=1021,1045, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56,  &end
#
#   65 ALA   H      68 SER  H        4.89
 &rst
  ixpk= 0, nxpk= 0, iat= 992,1045, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39,  &end
#
#   37 VAL   QG2    49 GLY  H        5.28
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 748, r1= 1.30, r2= 1.80, r3= 6.34, r4= 6.84,
 igr1= 578, 579, 580,
 &end
#
#   40 VAL   H      49 GLY  H        4.98
 &rst
  ixpk= 0, nxpk= 0, iat= 612, 748, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48,  &end
#
#   39 SER   HA     49 GLY  H        4.38
 &rst
  ixpk= 0, nxpk= 0, iat= 603, 748, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,  &end
#
#   49 GLY   H      50 SER  QB       5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 748,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 759, 760,
 &end
#
#   48 GLU   HG3    49 GLY  H        4.61
 &rst
  ixpk= 0, nxpk= 0, iat= 741, 748, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,  &end
#
#   19 GLY   H      20 LEU  QD1      5.36
 &rst
  ixpk= 0, nxpk= 0, iat= 290,  -1, r1= 1.30, r2= 1.80, r3= 6.44, r4= 6.94,
 igr2= 306, 307, 308,
 &end
#
#   19 GLY   H      20 LEU  H        5.19
 &rst
  ixpk= 0, nxpk= 0, iat= 290, 297, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,  &end
#
#   19 GLY   H      20 LEU  HA       4.89
 &rst
  ixpk= 0, nxpk= 0, iat= 290, 299, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39,  &end
#
#   17 LYS   HB3    19 GLY  H        5.05
 &rst
  ixpk= 0, nxpk= 0, iat= 259, 290, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,  &end
#
#   37 VAL   HA     51 GLY  H        4.57
 &rst
  ixpk= 0, nxpk= 0, iat= 570, 766, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07,  &end
#
#   38 MET   H      51 GLY  H        4.70
 &rst
  ixpk= 0, nxpk= 0, iat= 584, 766, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,  &end
#
#   35 LEU   QD2    51 GLY  H        4.38
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 766, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76,
 igr1= 542, 543, 544,
 &end
#
#   39 SER   HB3    48 GLU  QB       4.74
 &rst
  ixpk= 0, nxpk= 0, iat= 606,  -1, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82,
 igr2= 737, 738,
 &end
#
#   35 LEU   HB3    50 SER  QB       5.46
 &rst
  ixpk= 0, nxpk= 0, iat= 534,  -1, r1= 1.30, r2= 1.80, r3= 6.09, r4= 6.59,
 igr2= 759, 760,
 &end
#
#   50 SER   QB     51 GLY  HA2      4.85
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 768, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94,
 igr1= 759, 760,
 &end
#
#   37 VAL   HB     50 SER  QB       4.78
 &rst
  ixpk= 0, nxpk= 0, iat= 572,  -1, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,
 igr2= 759, 760,
 &end
#
#   39 SER   HB3    48 GLU  HG2      4.70
 &rst
  ixpk= 0, nxpk= 0, iat= 606, 740, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,  &end
#
#   47 PHE   HD     68 SER  HB3      4.52
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1050, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,
 igr1= 721, 729,
 &end
#
#   47 PHE   HE     68 SER  HB3      4.63
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1050, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,
 igr1= 723, 727,
 &end
#
#   47 PHE   HE     68 SER  HB2      4.51
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1049, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,
 igr1= 723, 727,
 &end
#
#   47 PHE   HD     68 SER  HB2      4.43
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1049, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47,
 igr1= 721, 729,
 &end
#
#   72 PHE   HA     73 PRO  HA       4.70
 &rst
  ixpk= 0, nxpk= 0, iat=1111,1139, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,  &end
#
#   42 VAL   QG1    73 PRO  HA       4.67
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1139, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 649, 650, 651,
 &end
#
#   69 PHE   HD     70 VAL  HA       5.06
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1078, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18,
 igr1=1064,1072,
 &end
#
#   70 VAL   HA     70 VAL  QQG      5.51
 &rst
  ixpk= 0, nxpk= 0, iat=1078,1079, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01,  &end
#
#   70 VAL   HA     73 PRO  HA       4.73
 &rst
  ixpk= 0, nxpk= 0, iat=1078,1139, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,  &end
#
#   37 VAL   HA     50 SER  QB       3.99
 &rst
  ixpk= 0, nxpk= 0, iat= 570,  -1, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98,
 igr2= 759, 760,
 &end
#
#   41 GLU   HA     46 VAL  HA       3.49
 &rst
  ixpk= 0, nxpk= 0, iat= 630, 699, r1= 1.30, r2= 1.80, r3= 3.49, r4= 3.99,  &end
#
#   36 PHE   HD     54 LYS  HA       5.14
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 803, r1= 1.30, r2= 1.80, r3= 5.77, r4= 6.27,
 igr1= 556, 564,
 &end
#
#   40 VAL   QG2    42 VAL  HA       5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 645, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 622, 623, 624,
 &end
#
#   54 LYS   HA     57 ALA  QB       4.00
 &rst
  ixpk= 0, nxpk= 0, iat= 803,  -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr2= 871, 872, 873,
 &end
#
#   22 TYR   HE     40 VAL  HA       5.12
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 614, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25,
 igr1= 343, 348,
 &end
#
#   22 TYR   HA     40 VAL  HA       4.08
 &rst
  ixpk= 0, nxpk= 0, iat= 335, 614, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58,  &end
#
#   22 TYR   HD     40 VAL  HA       4.78
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 614, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,
 igr1= 341, 350,
 &end
#
#   40 VAL   HA     41 GLU  HB3      5.24
 &rst
  ixpk= 0, nxpk= 0, iat= 614, 633, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,  &end
#
#   47 PHE   HE     68 SER  HA       4.72
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1047, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 723, 727,
 &end
#
#   63 GLU   HA     66 LEU  QD2      4.68
 &rst
  ixpk= 0, nxpk= 0, iat= 957,  -1, r1= 1.30, r2= 1.80, r3= 5.62, r4= 6.12,
 igr2=1015,1016,1017,
 &end
#
#   64 LYS   HA     64 LYS  QE       5.43
 &rst
  ixpk= 0, nxpk= 0, iat= 972,  -1, r1= 1.30, r2= 1.80, r3= 6.09, r4= 6.59,
 igr2= 983, 984,
 &end
#
#   64 LYS   HA     64 LYS  HG3      3.86
 &rst
  ixpk= 0, nxpk= 0, iat= 972, 978, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36,  &end
#
#   69 PHE   HA     69 PHE  HD       4.12
 &rst
  ixpk= 0, nxpk= 0, iat=1058,  -1, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
 igr2=1064,1072,
 &end
#
#   36 PHE   HA     36 PHE  HD       4.54
 &rst
  ixpk= 0, nxpk= 0, iat= 550,  -1, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
 igr2= 556, 564,
 &end
#
#   36 PHE   HA     57 ALA  QB       5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 550,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 871, 872, 873,
 &end
#
#   53 THR   HA     54 LYS  HG3      5.27
 &rst
  ixpk= 0, nxpk= 0, iat= 789, 809, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77,  &end
#
#   60 HIS   HA     60 HIS  HD2      3.97
 &rst
  ixpk= 0, nxpk= 0, iat= 920, 931, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47,  &end
#
#   60 HIS   HA     63 GLU  HB2      4.34
 &rst
  ixpk= 0, nxpk= 0, iat= 920, 959, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84,  &end
#
#   67 ARG   HA     70 VAL  QQG      6.92
 &rst
  ixpk= 0, nxpk= 0, iat=1023,1079, r1= 1.30, r2= 1.80, r3= 6.92, r4= 7.42,  &end
#
#   15 GLU   HA     16 ILE  QG2      5.34
 &rst
  ixpk= 0, nxpk= 0, iat= 222,  -1, r1= 1.30, r2= 1.80, r3= 6.41, r4= 6.91,
 igr2= 241, 242, 243,
 &end
#
#   13 LEU   HA     13 LEU  HG       4.24
 &rst
  ixpk= 0, nxpk= 0, iat= 189, 194, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,  &end
#
#   10 LEU   HA     11 MET  HA       4.88
 &rst
  ixpk= 0, nxpk= 0, iat= 136, 155, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,  &end
#
#   36 PHE   HA     37 VAL  QG1      5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 550,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 574, 575, 576,
 &end
#
#   22 TYR   HA     22 TYR  HE       5.03
 &rst
  ixpk= 0, nxpk= 0, iat= 335,  -1, r1= 1.30, r2= 1.80, r3= 5.65, r4= 6.15,
 igr2= 343, 348,
 &end
#
#   22 TYR   HA     22 TYR  HD       4.17
 &rst
  ixpk= 0, nxpk= 0, iat= 335,  -1, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,
 igr2= 341, 350,
 &end
#
#   20 LEU   QD2    22 TYR  HA       5.35
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 335, r1= 1.30, r2= 1.80, r3= 6.43, r4= 6.93,
 igr1= 310, 311, 312,
 &end
#
#   47 PHE   HA     47 PHE  HD       3.85
 &rst
  ixpk= 0, nxpk= 0, iat= 715,  -1, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82,
 igr2= 721, 729,
 &end
#
#   47 PHE   HA     47 PHE  HE       4.57
 &rst
  ixpk= 0, nxpk= 0, iat= 715,  -1, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63,
 igr2= 723, 727,
 &end
#
#   47 PHE   HA     64 LYS  QD       4.59
 &rst
  ixpk= 0, nxpk= 0, iat= 715,  -1, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,
 igr2= 980, 981,
 &end
#
#   47 PHE   HA     65 ALA  QB       4.76
 &rst
  ixpk= 0, nxpk= 0, iat= 715,  -1, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,
 igr2= 996, 997, 998,
 &end
#
#   13 LEU   HG     14 ASN  HA       3.83
 &rst
  ixpk= 0, nxpk= 0, iat= 194, 208, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33,  &end
#
#   37 VAL   HA     57 ALA  HA       4.91
 &rst
  ixpk= 0, nxpk= 0, iat= 570, 869, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,  &end
#
#   37 VAL   HA     50 SER  HA       3.80
 &rst
  ixpk= 0, nxpk= 0, iat= 570, 757, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30,  &end
#
#   23 MET   HG3    39 SER  HA       5.22
 &rst
  ixpk= 0, nxpk= 0, iat= 362, 603, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,  &end
#
#   39 SER   HA     48 GLU  HG2      4.66
 &rst
  ixpk= 0, nxpk= 0, iat= 603, 740, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,  &end
#
#   39 SER   HA     48 GLU  QB       4.19
 &rst
  ixpk= 0, nxpk= 0, iat= 603,  -1, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,
 igr2= 737, 738,
 &end
#
#   70 VAL   QQG    71 GLN  HA       7.21
 &rst
  ixpk= 0, nxpk= 0, iat=1079,1094, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,  &end
#
#   20 LEU   HA     20 LEU  QD2      3.44
 &rst
  ixpk= 0, nxpk= 0, iat= 299,  -1, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63,
 igr2= 310, 311, 312,
 &end
#
#   57 ALA   HA     60 HIS  HB2      4.43
 &rst
  ixpk= 0, nxpk= 0, iat= 869, 922, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93,  &end
#
#   50 SER   HA     57 ALA  HA       4.55
 &rst
  ixpk= 0, nxpk= 0, iat= 757, 869, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05,  &end
#
#   57 ALA   HA     60 HIS  HB3      4.32
 &rst
  ixpk= 0, nxpk= 0, iat= 869, 923, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82,  &end
#
#   72 PHE   HA     73 PRO  QG       4.48
 &rst
  ixpk= 0, nxpk= 0, iat=1111,  -1, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,
 igr2=1133,1134,
 &end
#
#   17 LYS   QG     20 LEU  HA       5.37
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 299, r1= 1.30, r2= 1.80, r3= 6.03, r4= 6.53,
 igr1= 261, 262,
 &end
#
#    9 ALA   HA     12 GLN  HG3      5.42
 &rst
  ixpk= 0, nxpk= 0, iat= 126, 178, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,  &end
#
#   51 GLY   HA3    57 ALA  HA       4.99
 &rst
  ixpk= 0, nxpk= 0, iat= 769, 869, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49,  &end
#
#   40 VAL   QG2    62 ALA  HA       5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 947, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 622, 623, 624,
 &end
#
#   13 LEU   QD2    62 ALA  HA       3.63
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 947, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86,
 igr1= 200, 201, 202,
 &end
#
#   39 SER   HA     48 GLU  HA       3.59
 &rst
  ixpk= 0, nxpk= 0, iat= 603, 735, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09,  &end
#
#   39 SER   HB3    48 GLU  HA       4.22
 &rst
  ixpk= 0, nxpk= 0, iat= 606, 735, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72,  &end
#
#   39 SER   HB2    48 GLU  HA       4.11
 &rst
  ixpk= 0, nxpk= 0, iat= 605, 735, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,  &end
#
#   41 GLU   HA     42 VAL  QG1      5.53
 &rst
  ixpk= 0, nxpk= 0, iat= 630,  -1, r1= 1.30, r2= 1.80, r3= 6.54, r4= 7.04,
 igr2= 649, 650, 651,
 &end
#
#   41 GLU   HA     47 PHE  HD       5.28
 &rst
  ixpk= 0, nxpk= 0, iat= 630,  -1, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43,
 igr2= 721, 729,
 &end
#
#   21 GLN   HA     40 VAL  QG2      5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 318,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 622, 623, 624,
 &end
#
#   21 GLN   HA     22 TYR  HD       4.93
 &rst
  ixpk= 0, nxpk= 0, iat= 318,  -1, r1= 1.30, r2= 1.80, r3= 5.53, r4= 6.03,
 igr2= 341, 350,
 &end
#
#   45 GLN   HA     47 PHE  HE       5.08
 &rst
  ixpk= 0, nxpk= 0, iat= 682,  -1, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,
 igr2= 723, 727,
 &end
#
#   45 GLN   HA     45 GLN  HG2      3.46
 &rst
  ixpk= 0, nxpk= 0, iat= 682, 687, r1= 1.30, r2= 1.80, r3= 3.46, r4= 3.96,  &end
#
#   35 LEU   HA     36 PHE  HA       4.63
 &rst
  ixpk= 0, nxpk= 0, iat= 531, 550, r1= 1.30, r2= 1.80, r3= 4.63, r4= 5.13,  &end
#
#   47 PHE   HE     65 ALA  HA       4.45
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 994, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49,
 igr1= 723, 727,
 &end
#
#   65 ALA   HA     68 SER  HB3      5.04
 &rst
  ixpk= 0, nxpk= 0, iat= 994,1050, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,  &end
#
#   47 PHE   HB3    65 ALA  HA       5.05
 &rst
  ixpk= 0, nxpk= 0, iat= 718, 994, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,  &end
#
#   65 ALA   HA     68 SER  HB2      4.70
 &rst
  ixpk= 0, nxpk= 0, iat= 994,1049, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,  &end
#
#   47 PHE   HD     65 ALA  HA       4.18
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 994, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19,
 igr1= 721, 729,
 &end
#
#   40 VAL   QG1    65 ALA  HA       5.16
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 994, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70,
 igr1= 618, 619, 620,
 &end
#
#   24 LEU   HA     38 MET  HA       3.94
 &rst
  ixpk= 0, nxpk= 0, iat= 373, 586, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44,  &end
#
#   25 LEU   QB     38 MET  HA       4.67
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 586, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,
 igr1= 394, 395,
 &end
#
#   17 LYS   HA     18 PRO  QD       4.00
 &rst
  ixpk= 0, nxpk= 0, iat= 256,  -1, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87,
 igr2= 277, 278,
 &end
#
#    8 ASN   HA     11 MET  QE       5.48
 &rst
  ixpk= 0, nxpk= 0, iat= 112,  -1, r1= 1.30, r2= 1.80, r3= 6.58, r4= 7.08,
 igr2= 164, 165, 166,
 &end
#
#   69 PHE   HD     73 PRO  HD3      5.19
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1131, r1= 1.30, r2= 1.80, r3= 5.83, r4= 6.33,
 igr1=1064,1072,
 &end
#
#   72 PHE   HA     73 PRO  HD3      3.39
 &rst
  ixpk= 0, nxpk= 0, iat=1111,1131, r1= 1.30, r2= 1.80, r3= 3.39, r4= 3.89,  &end
#
#   69 PHE   HD     73 PRO  HD2      5.17
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1130, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
 igr1=1064,1072,
 &end
#
#   72 PHE   HA     73 PRO  HD2      3.46
 &rst
  ixpk= 0, nxpk= 0, iat=1111,1130, r1= 1.30, r2= 1.80, r3= 3.46, r4= 3.96,  &end
#
#   72 PHE   HB3    73 PRO  HD2      4.30
 &rst
  ixpk= 0, nxpk= 0, iat=1114,1130, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,  &end
#
#   19 GLY   HA2    20 LEU  QD1      5.46
 &rst
  ixpk= 0, nxpk= 0, iat= 292,  -1, r1= 1.30, r2= 1.80, r3= 6.56, r4= 7.06,
 igr2= 306, 307, 308,
 &end
#
#   41 GLU   HG3    44 GLY  HA3      5.17
 &rst
  ixpk= 0, nxpk= 0, iat= 636, 676, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67,  &end
#
#   49 GLY   HA3    60 HIS  HB3      5.19
 &rst
  ixpk= 0, nxpk= 0, iat= 751, 923, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,  &end
#
#   49 GLY   HA3    60 HIS  HB2      4.87
 &rst
  ixpk= 0, nxpk= 0, iat= 751, 922, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37,  &end
#
#   48 GLU   HG2    49 GLY  HA2      4.63
 &rst
  ixpk= 0, nxpk= 0, iat= 740, 750, r1= 1.30, r2= 1.80, r3= 4.63, r4= 5.13,  &end
#
#   49 GLY   HA2    61 ALA  QB       4.89
 &rst
  ixpk= 0, nxpk= 0, iat= 750,  -1, r1= 1.30, r2= 1.80, r3= 5.87, r4= 6.37,
 igr2= 939, 940, 941,
 &end
#
#   35 LEU   HB2    35 LEU  QD1      3.84
 &rst
  ixpk= 0, nxpk= 0, iat= 533,  -1, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,
 igr2= 538, 539, 540,
 &end
#
#   35 LEU   HB2    36 PHE  HA       6.00
 &rst
  ixpk= 0, nxpk= 0, iat= 533, 550, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   67 ARG   HA     67 ARG  QD       3.94
 &rst
  ixpk= 0, nxpk= 0, iat=1023,  -1, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92,
 igr2=1031,1032,
 &end
#
#   66 LEU   QD2    67 ARG  QD       5.16
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.96, r4= 7.46,
 igr1=1015,1016,1017,
 igr2=1031,1032,
 &end
#
#   64 LYS   HA     67 ARG  QD       4.45
 &rst
  ixpk= 0, nxpk= 0, iat= 972,  -1, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49,
 igr2=1031,1032,
 &end
#
#   67 ARG   HB3    67 ARG  QD       3.06
 &rst
  ixpk= 0, nxpk= 0, iat=1026,  -1, r1= 1.30, r2= 1.80, r3= 3.43, r4= 3.93,
 igr2=1031,1032,
 &end
#
#   67 ARG   HB2    67 ARG  QD       3.36
 &rst
  ixpk= 0, nxpk= 0, iat=1025,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr2=1031,1032,
 &end
#
#   56 LYS   QE     60 HIS  HB2      4.49
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 922, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1= 858, 859,
 &end
#
#   56 LYS   HA     56 LYS  QE       4.16
 &rst
  ixpk= 0, nxpk= 0, iat= 847,  -1, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,
 igr2= 858, 859,
 &end
#
#   47 PHE   HB3    65 ALA  QB       4.39
 &rst
  ixpk= 0, nxpk= 0, iat= 718,  -1, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77,
 igr2= 996, 997, 998,
 &end
#
#   46 VAL   HA     47 PHE  HB3      5.60
 &rst
  ixpk= 0, nxpk= 0, iat= 699, 718, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,  &end
#
#   55 LYS   HG2    55 LYS  QE       3.41
 &rst
  ixpk= 0, nxpk= 0, iat= 830,  -1, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33,
 igr2= 836, 837,
 &end
#
#   47 PHE   HB2    65 ALA  QB       5.31
 &rst
  ixpk= 0, nxpk= 0, iat= 717,  -1, r1= 1.30, r2= 1.80, r3= 6.38, r4= 6.88,
 igr2= 996, 997, 998,
 &end
#
#   24 LEU   QD2    36 PHE  HB3      5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 553, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 384, 385, 386,
 &end
#
#   54 LYS   QB     54 LYS  QE       4.32
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94,
 igr1= 805, 806,
 igr2= 814, 815,
 &end
#
#   20 LEU   HB3    20 LEU  QD1      3.77
 &rst
  ixpk= 0, nxpk= 0, iat= 302,  -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
 igr2= 306, 307, 308,
 &end
#
#   20 LEU   HB3    40 VAL  QG2      4.74
 &rst
  ixpk= 0, nxpk= 0, iat= 302,  -1, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
 igr2= 622, 623, 624,
 &end
#
#   66 LEU   HB3    66 LEU  QD2      3.57
 &rst
  ixpk= 0, nxpk= 0, iat=1007,  -1, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79,
 igr2=1015,1016,1017,
 &end
#
#   47 PHE   HB2    64 LYS  QB       4.77
 &rst
  ixpk= 0, nxpk= 0, iat= 717,  -1, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85,
 igr2= 974, 975,
 &end
#
#   54 LYS   HA     54 LYS  QE       5.09
 &rst
  ixpk= 0, nxpk= 0, iat= 803,  -1, r1= 1.30, r2= 1.80, r3= 5.71, r4= 6.21,
 igr2= 814, 815,
 &end
#
#   56 LYS   HA     59 LEU  HB3      3.95
 &rst
  ixpk= 0, nxpk= 0, iat= 847, 904, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45,  &end
#
#   20 LEU   QD2    22 TYR  HB2      5.47
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 337, r1= 1.30, r2= 1.80, r3= 6.57, r4= 7.07,
 igr1= 310, 311, 312,
 &end
#
#    5 LEU   QQD     8 ASN  HB3       7.7
 &rst
  ixpk= 0, nxpk= 0, iat=  61, 115, r1= 1.30, r2= 1.80, r3= 7.70, r4= 8.20,  &end
#
#   42 VAL   QG2    69 PHE  HB2      4.96
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1060, r1= 1.30, r2= 1.80, r3= 5.96, r4= 6.46,
 igr1= 653, 654, 655,
 &end
#
#   69 PHE   HD     72 PHE  HB2      4.40
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1113, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
 igr1=1064,1072,
 &end
#
#   72 PHE   HB2    73 PRO  HD2      5.08
 &rst
  ixpk= 0, nxpk= 0, iat=1113,1130, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,  &end
#
#   16 ILE   HB     66 LEU  HA       5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 239,1004, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   59 LEU   HG     63 GLU  HG2      5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 906, 962, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    9 ALA   QB     63 GLU  HG3      4.18
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 963, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52,
 igr1= 128, 129, 130,
 &end
#
#   63 GLU   HA     63 GLU  HG2      4.14
 &rst
  ixpk= 0, nxpk= 0, iat= 957, 962, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64,  &end
#
#   62 ALA   QB     63 GLU  HG2      5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 962, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 949, 950, 951,
 &end
#
#   39 SER   HA     48 GLU  HG3      4.75
 &rst
  ixpk= 0, nxpk= 0, iat= 603, 741, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25,  &end
#
#   48 GLU   HA     48 GLU  HG3      4.13
 &rst
  ixpk= 0, nxpk= 0, iat= 735, 741, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63,  &end
#
#   39 SER   HB2    48 GLU  HG3      4.54
 &rst
  ixpk= 0, nxpk= 0, iat= 605, 741, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,  &end
#
#   39 SER   HB3    48 GLU  HG3      4.64
 &rst
  ixpk= 0, nxpk= 0, iat= 606, 741, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,  &end
#
#   48 GLU   HA     48 GLU  HG2      4.09
 &rst
  ixpk= 0, nxpk= 0, iat= 735, 740, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59,  &end
#
#   39 SER   HB2    48 GLU  HG2      4.69
 &rst
  ixpk= 0, nxpk= 0, iat= 605, 740, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19,  &end
#
#   41 GLU   HG3    46 VAL  HA       4.37
 &rst
  ixpk= 0, nxpk= 0, iat= 636, 699, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87,  &end
#
#   41 GLU   HA     41 GLU  HG3      3.82
 &rst
  ixpk= 0, nxpk= 0, iat= 630, 636, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32,  &end
#
#   41 GLU   HG3    46 VAL  QQG      6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 636, 700, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#   41 GLU   HA     41 GLU  HG2      3.89
 &rst
  ixpk= 0, nxpk= 0, iat= 630, 635, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39,  &end
#
#   41 GLU   HG2    46 VAL  QQG      6.25
 &rst
  ixpk= 0, nxpk= 0, iat= 635, 700, r1= 1.30, r2= 1.80, r3= 6.25, r4= 6.75,  &end
#
#   22 TYR   HE     40 VAL  HB       4.73
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 616, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,
 igr1= 343, 348,
 &end
#
#   40 VAL   HB     65 ALA  QB       5.17
 &rst
  ixpk= 0, nxpk= 0, iat= 616,  -1, r1= 1.30, r2= 1.80, r3= 6.21, r4= 6.71,
 igr2= 996, 997, 998,
 &end
#
#   22 TYR   HD     40 VAL  HB       4.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 616, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 341, 350,
 &end
#
#   22 TYR   HA     40 VAL  HB       4.77
 &rst
  ixpk= 0, nxpk= 0, iat= 335, 616, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,  &end
#
#   23 MET   HB3    25 LEU  QQD      7.15
 &rst
  ixpk= 0, nxpk= 0, iat= 359, 396, r1= 1.30, r2= 1.80, r3= 7.15, r4= 7.65,  &end
#
#   20 LEU   HB2    21 GLN  HG3      5.31
 &rst
  ixpk= 0, nxpk= 0, iat= 301, 324, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,  &end
#
#   12 GLN   HA     12 GLN  HG3      4.00
 &rst
  ixpk= 0, nxpk= 0, iat= 172, 178, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   12 GLN   HG3    66 LEU  QD2      4.70
 &rst
  ixpk= 0, nxpk= 0, iat= 178,  -1, r1= 1.30, r2= 1.80, r3= 5.64, r4= 6.14,
 igr2=1015,1016,1017,
 &end
#
#   12 GLN   HG3    16 ILE  QD1      5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 178,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 248, 249, 250,
 &end
#
#   42 VAL   HB     69 PHE  HD       3.80
 &rst
  ixpk= 0, nxpk= 0, iat= 647,  -1, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,
 igr2=1064,1072,
 &end
#
#   12 GLN   HA     12 GLN  HG2      3.88
 &rst
  ixpk= 0, nxpk= 0, iat= 172, 177, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38,  &end
#
#   11 MET   HB2    12 GLN  HA       5.08
 &rst
  ixpk= 0, nxpk= 0, iat= 157, 172, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,  &end
#
#   21 GLN   HA     21 GLN  HG3      3.53
 &rst
  ixpk= 0, nxpk= 0, iat= 318, 324, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,  &end
#
#   21 GLN   HA     21 GLN  HG2      3.69
 &rst
  ixpk= 0, nxpk= 0, iat= 318, 323, r1= 1.30, r2= 1.80, r3= 3.69, r4= 4.19,  &end
#
#   45 GLN   HG3    47 PHE  HE       4.60
 &rst
  ixpk= 0, nxpk= 0, iat= 688,  -1, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
 igr2= 723, 727,
 &end
#
#   45 GLN   HA     45 GLN  HG3      3.69
 &rst
  ixpk= 0, nxpk= 0, iat= 682, 688, r1= 1.30, r2= 1.80, r3= 3.69, r4= 4.19,  &end
#
#   44 GLY   HA2    45 GLN  HG3      5.20
 &rst
  ixpk= 0, nxpk= 0, iat= 675, 688, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,  &end
#
#   38 MET   HG3    57 ALA  QB       4.19
 &rst
  ixpk= 0, nxpk= 0, iat= 592,  -1, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,
 igr2= 871, 872, 873,
 &end
#
#   22 TYR   HD     38 MET  HG3      5.40
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 592, r1= 1.30, r2= 1.80, r3= 6.06, r4= 6.56,
 igr1= 341, 350,
 &end
#
#   24 LEU   HA     38 MET  HG3      4.69
 &rst
  ixpk= 0, nxpk= 0, iat= 373, 592, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19,  &end
#
#   25 LEU   QQD    38 MET  HG3      7.47
 &rst
  ixpk= 0, nxpk= 0, iat= 396, 592, r1= 1.30, r2= 1.80, r3= 7.47, r4= 7.97,  &end
#
#   38 MET   HG3    58 LYS  HA       4.81
 &rst
  ixpk= 0, nxpk= 0, iat= 592, 879, r1= 1.30, r2= 1.80, r3= 4.81, r4= 5.31,  &end
#
#   38 MET   HA     38 MET  HG2      4.13
 &rst
  ixpk= 0, nxpk= 0, iat= 586, 591, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63,  &end
#
#   38 MET   HG2    57 ALA  QB       4.64
 &rst
  ixpk= 0, nxpk= 0, iat= 591,  -1, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07,
 igr2= 871, 872, 873,
 &end
#
#   24 LEU   HA     38 MET  HG2      4.52
 &rst
  ixpk= 0, nxpk= 0, iat= 373, 591, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02,  &end
#
#   37 VAL   HA     38 MET  HG2      4.97
 &rst
  ixpk= 0, nxpk= 0, iat= 570, 591, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47,  &end
#
#   37 VAL   HB     50 SER  HA       4.91
 &rst
  ixpk= 0, nxpk= 0, iat= 572, 757, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,  &end
#
#   47 PHE   HD     64 LYS  QB       4.32
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94,
 igr1= 721, 729,
 igr2= 974, 975,
 &end
#
#   17 LYS   HB3    20 LEU  QD1      4.71
 &rst
  ixpk= 0, nxpk= 0, iat= 259,  -1, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96,
 igr2= 306, 307, 308,
 &end
#
#   47 PHE   HE     64 LYS  QB       4.74
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.97, r4= 6.47,
 igr1= 723, 727,
 igr2= 974, 975,
 &end
#
#   64 LYS   QB     64 LYS  QE       5.11
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.44, r4= 6.94,
 igr1= 974, 975,
 igr2= 983, 984,
 &end
#
#   38 MET   HG3    58 LYS  HB2      5.26
 &rst
  ixpk= 0, nxpk= 0, iat= 592, 881, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76,  &end
#
#   22 TYR   HA     23 MET  HG3      5.26
 &rst
  ixpk= 0, nxpk= 0, iat= 335, 362, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76,  &end
#
#   23 MET   HA     23 MET  HG3      3.98
 &rst
  ixpk= 0, nxpk= 0, iat= 356, 362, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48,  &end
#
#   23 MET   HG3    46 VAL  QQG      6.69
 &rst
  ixpk= 0, nxpk= 0, iat= 362, 700, r1= 1.30, r2= 1.80, r3= 6.69, r4= 7.19,  &end
#
#   23 MET   HG2    39 SER  HB2      5.07
 &rst
  ixpk= 0, nxpk= 0, iat= 361, 605, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,  &end
#
#   23 MET   HG2    23 MET  QE       3.69
 &rst
  ixpk= 0, nxpk= 0, iat= 361,  -1, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93,
 igr2= 365, 366, 367,
 &end
#
#   23 MET   HG2    46 VAL  QQG       6.8
 &rst
  ixpk= 0, nxpk= 0, iat= 361, 700, r1= 1.30, r2= 1.80, r3= 6.80, r4= 7.30,  &end
#
#   23 MET   HA     23 MET  HG2      3.70
 &rst
  ixpk= 0, nxpk= 0, iat= 356, 361, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,  &end
#
#   23 MET   HG2    40 VAL  HA       4.84
 &rst
  ixpk= 0, nxpk= 0, iat= 361, 614, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,  &end
#
#   55 LYS   QB     55 LYS  QE       4.72
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.95, r4= 6.45,
 igr1= 827, 828,
 igr2= 836, 837,
 &end
#
#   45 GLN   HB2    47 PHE  HE       4.27
 &rst
  ixpk= 0, nxpk= 0, iat= 684,  -1, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,
 igr2= 723, 727,
 &end
#
#   45 GLN   HB2    47 PHE  HD       4.39
 &rst
  ixpk= 0, nxpk= 0, iat= 684,  -1, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43,
 igr2= 721, 729,
 &end
#
#   58 LYS   HB3    58 LYS  HE2      4.45
 &rst
  ixpk= 0, nxpk= 0, iat= 882, 890, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95,  &end
#
#   11 MET   QG     11 MET  QE       4.44
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
 igr1= 160, 161,
 igr2= 164, 165, 166,
 &end
#
#   42 VAL   QG1    73 PRO  QB       4.99
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 649, 650, 651,
 igr2=1136,1137,
 &end
#
#   69 PHE   HD     73 PRO  QB       5.06
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.38, r4= 6.88,
 igr1=1064,1072,
 igr2=1136,1137,
 &end
#
#   63 GLU   HB3    64 LYS  HA       4.99
 &rst
  ixpk= 0, nxpk= 0, iat= 960, 972, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49,  &end
#
#   60 HIS   HA     63 GLU  HB3      4.20
 &rst
  ixpk= 0, nxpk= 0, iat= 920, 960, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,  &end
#
#    9 ALA   QB     63 GLU  HB3      4.74
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 960, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
 igr1= 128, 129, 130,
 &end
#
#   62 ALA   QB     63 GLU  HB3      5.31
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 960, r1= 1.30, r2= 1.80, r3= 6.38, r4= 6.88,
 igr1= 949, 950, 951,
 &end
#
#   63 GLU   HB3    66 LEU  QD2      5.43
 &rst
  ixpk= 0, nxpk= 0, iat= 960,  -1, r1= 1.30, r2= 1.80, r3= 6.52, r4= 7.02,
 igr2=1015,1016,1017,
 &end
#
#   12 GLN   HA     15 GLU  HB2      4.82
 &rst
  ixpk= 0, nxpk= 0, iat= 172, 224, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32,  &end
#
#   62 ALA   QB     63 GLU  HB2      5.11
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 959, r1= 1.30, r2= 1.80, r3= 6.14, r4= 6.64,
 igr1= 949, 950, 951,
 &end
#
#    9 ALA   QB     63 GLU  HB2      4.59
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 959, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01,
 igr1= 128, 129, 130,
 &end
#
#   47 PHE   HE     64 LYS  QD       5.17
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.51, r4= 7.01,
 igr1= 723, 727,
 igr2= 980, 981,
 &end
#
#   47 PHE   HD     64 LYS  QD       4.59
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28,
 igr1= 721, 729,
 igr2= 980, 981,
 &end
#
#   58 LYS   HB2    58 LYS  HD3      3.44
 &rst
  ixpk= 0, nxpk= 0, iat= 881, 888, r1= 1.30, r2= 1.80, r3= 3.44, r4= 3.94,  &end
#
#   55 LYS   HA     58 LYS  HD3      5.05
 &rst
  ixpk= 0, nxpk= 0, iat= 825, 888, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,  &end
#
#   38 MET   QE     58 LYS  HD3      5.08
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 888, r1= 1.30, r2= 1.80, r3= 6.10, r4= 6.60,
 igr1= 595, 596, 597,
 &end
#
#   58 LYS   HA     58 LYS  HD2      5.28
 &rst
  ixpk= 0, nxpk= 0, iat= 879, 887, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,  &end
#
#   58 LYS   HB2    58 LYS  HD2      3.51
 &rst
  ixpk= 0, nxpk= 0, iat= 881, 887, r1= 1.30, r2= 1.80, r3= 3.51, r4= 4.01,  &end
#
#   55 LYS   HA     58 LYS  HD2      5.47
 &rst
  ixpk= 0, nxpk= 0, iat= 825, 887, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,  &end
#
#   55 LYS   HA     55 LYS  HD3      4.46
 &rst
  ixpk= 0, nxpk= 0, iat= 825, 834, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96,  &end
#
#   55 LYS   HA     55 LYS  HD2      4.77
 &rst
  ixpk= 0, nxpk= 0, iat= 825, 833, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,  &end
#
#   24 LEU   HA     24 LEU  HG       4.24
 &rst
  ixpk= 0, nxpk= 0, iat= 373, 378, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,  &end
#
#   13 LEU   HA     16 ILE  HG12     3.99
 &rst
  ixpk= 0, nxpk= 0, iat= 189, 245, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49,  &end
#
#   56 LYS   HA     56 LYS  HG2      3.77
 &rst
  ixpk= 0, nxpk= 0, iat= 847, 852, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,  &end
#
#   63 GLU   HA     66 LEU  HG       5.02
 &rst
  ixpk= 0, nxpk= 0, iat= 957,1009, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52,  &end
#
#   16 ILE   QD1    66 LEU  HG       5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1009, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 248, 249, 250,
 &end
#
#   59 LEU   HG     63 GLU  HG3      5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 906, 963, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   25 LEU   HG     38 MET  HA       4.79
 &rst
  ixpk= 0, nxpk= 0, iat= 397, 586, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,  &end
#
#   25 LEU   HA     25 LEU  HG       4.24
 &rst
  ixpk= 0, nxpk= 0, iat= 392, 397, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,  &end
#
#   24 LEU   HG     38 MET  HA       5.20
 &rst
  ixpk= 0, nxpk= 0, iat= 378, 586, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,  &end
#
#   35 LEU   HA     35 LEU  HG       4.27
 &rst
  ixpk= 0, nxpk= 0, iat= 531, 536, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,  &end
#
#   47 PHE   HD     64 LYS  HG3      5.08
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 978, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,
 igr1= 721, 729,
 &end
#
#   24 LEU   QD1    36 PHE  HD       4.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 380, 381, 382,
 igr2= 556, 564,
 &end
#
#   24 LEU   QD1    36 PHE  HA       4.98
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 550, r1= 1.30, r2= 1.80, r3= 5.98, r4= 6.48,
 igr1= 380, 381, 382,
 &end
#
#   24 LEU   HA     24 LEU  QD1      3.99
 &rst
  ixpk= 0, nxpk= 0, iat= 373,  -1, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,
 igr2= 380, 381, 382,
 &end
#
#   24 LEU   QD1    54 LYS  QE       4.41
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
 igr1= 380, 381, 382,
 igr2= 814, 815,
 &end
#
#   24 LEU   QD1    38 MET  HG3      4.95
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 592, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
 igr1= 380, 381, 382,
 &end
#
#   24 LEU   HB3    24 LEU  QD1      3.47
 &rst
  ixpk= 0, nxpk= 0, iat= 376,  -1, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67,
 igr2= 380, 381, 382,
 &end
#
#   24 LEU   HB2    24 LEU  QD1      3.74
 &rst
  ixpk= 0, nxpk= 0, iat= 375,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2= 380, 381, 382,
 &end
#
#   13 LEU   QD2    14 ASN  QB       5.15
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.94, r4= 7.44,
 igr1= 200, 201, 202,
 igr2= 210, 211,
 &end
#
#   13 LEU   QD2    22 TYR  HE       5.16
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.96, r4= 7.46,
 igr1= 200, 201, 202,
 igr2= 343, 348,
 &end
#
#   13 LEU   HB3    13 LEU  QD2      3.88
 &rst
  ixpk= 0, nxpk= 0, iat= 192,  -1, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,
 igr2= 200, 201, 202,
 &end
#
#   13 LEU   QD2    62 ALA  QB       3.62
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
 igr1= 200, 201, 202,
 igr2= 949, 950, 951,
 &end
#
#   20 LEU   QD1    22 TYR  HE       4.55
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.13, r4= 6.63,
 igr1= 306, 307, 308,
 igr2= 343, 348,
 &end
#
#   20 LEU   QD1    22 TYR  HD       5.11
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.89, r4= 7.39,
 igr1= 306, 307, 308,
 igr2= 341, 350,
 &end
#
#   17 LYS   HA     20 LEU  QD1      5.28
 &rst
  ixpk= 0, nxpk= 0, iat= 256,  -1, r1= 1.30, r2= 1.80, r3= 6.34, r4= 6.84,
 igr2= 306, 307, 308,
 &end
#
#   20 LEU   HA     20 LEU  QD1      4.35
 &rst
  ixpk= 0, nxpk= 0, iat= 299,  -1, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
 igr2= 306, 307, 308,
 &end
#
#   20 LEU   QD1    40 VAL  QG2      4.08
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
 igr1= 306, 307, 308,
 igr2= 622, 623, 624,
 &end
#
#   17 LYS   QG     20 LEU  HG       5.38
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 304, r1= 1.30, r2= 1.80, r3= 6.04, r4= 6.54,
 igr1= 261, 262,
 &end
#
#   47 PHE   HD     64 LYS  HG2      5.20
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 977, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
 igr1= 721, 729,
 &end
#
#   64 LYS   HG2    64 LYS  QE       4.20
 &rst
  ixpk= 0, nxpk= 0, iat= 977,  -1, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
 igr2= 983, 984,
 &end
#
#   55 LYS   HA     55 LYS  HG3      4.23
 &rst
  ixpk= 0, nxpk= 0, iat= 825, 831, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73,  &end
#
#   55 LYS   HA     55 LYS  HG2      4.04
 &rst
  ixpk= 0, nxpk= 0, iat= 825, 830, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,  &end
#
#   56 LYS   HA     59 LEU  QD1      3.55
 &rst
  ixpk= 0, nxpk= 0, iat= 847,  -1, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76,
 igr2= 908, 909, 910,
 &end
#
#   59 LEU   QD1    63 GLU  HG3      5.16
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 963, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70,
 igr1= 908, 909, 910,
 &end
#
#   59 LEU   HB3    59 LEU  QD1      3.68
 &rst
  ixpk= 0, nxpk= 0, iat= 904,  -1, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92,
 igr2= 908, 909, 910,
 &end
#
#   10 LEU   QD1    59 LEU  QD1      4.27
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66,
 igr1= 143, 144, 145,
 igr2= 908, 909, 910,
 &end
#
#   13 LEU   QD2    16 ILE  QD1      4.75
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.85, r4= 7.35,
 igr1= 200, 201, 202,
 igr2= 248, 249, 250,
 &end
#
#   25 LEU   QQD    37 VAL  HA       7.29
 &rst
  ixpk= 0, nxpk= 0, iat= 396, 570, r1= 1.30, r2= 1.80, r3= 7.29, r4= 7.79,  &end
#
#   25 LEU   QQD    39 SER  HA       6.48
 &rst
  ixpk= 0, nxpk= 0, iat= 396, 603, r1= 1.30, r2= 1.80, r3= 6.48, r4= 6.98,  &end
#
#   23 MET   HA     25 LEU  QQD       7.7
 &rst
  ixpk= 0, nxpk= 0, iat= 356, 396, r1= 1.30, r2= 1.80, r3= 7.70, r4= 8.20,  &end
#
#   10 LEU   QD2    11 MET  QE       5.21
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.51, r4= 8.01,
 igr1= 147, 148, 149,
 igr2= 164, 165, 166,
 &end
#
#   24 LEU   QD2    54 LYS  HA       5.07
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 803, r1= 1.30, r2= 1.80, r3= 6.09, r4= 6.59,
 igr1= 384, 385, 386,
 &end
#
#   24 LEU   QD2    54 LYS  HG2      5.24
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 808, r1= 1.30, r2= 1.80, r3= 6.29, r4= 6.79,
 igr1= 384, 385, 386,
 &end
#
#   24 LEU   QD2    36 PHE  HD       3.84
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68,
 igr1= 384, 385, 386,
 igr2= 556, 564,
 &end
#
#   24 LEU   QD2    38 MET  HA       4.27
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 586, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63,
 igr1= 384, 385, 386,
 &end
#
#   24 LEU   QD2    36 PHE  HA       4.12
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 550, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr1= 384, 385, 386,
 &end
#
#   24 LEU   HA     24 LEU  QD2      3.47
 &rst
  ixpk= 0, nxpk= 0, iat= 373,  -1, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67,
 igr2= 384, 385, 386,
 &end
#
#   24 LEU   QD2    54 LYS  QE       4.10
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.53, r4= 6.03,
 igr1= 384, 385, 386,
 igr2= 814, 815,
 &end
#
#   24 LEU   QD2    38 MET  HG3      4.16
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 592, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
 igr1= 384, 385, 386,
 &end
#
#   24 LEU   QD2    38 MET  HG2      4.32
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 591, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,
 igr1= 384, 385, 386,
 &end
#
#   25 LEU   QQD    48 GLU  HA       6.66
 &rst
  ixpk= 0, nxpk= 0, iat= 396, 735, r1= 1.30, r2= 1.80, r3= 6.66, r4= 7.16,  &end
#
#   25 LEU   HA     25 LEU  QQD      5.89
 &rst
  ixpk= 0, nxpk= 0, iat= 392, 396, r1= 1.30, r2= 1.80, r3= 5.89, r4= 6.39,  &end
#
#   25 LEU   QQD    39 SER  HB3      5.79
 &rst
  ixpk= 0, nxpk= 0, iat= 396, 606, r1= 1.30, r2= 1.80, r3= 5.79, r4= 6.29,  &end
#
#   25 LEU   QQD    39 SER  HB2      5.67
 &rst
  ixpk= 0, nxpk= 0, iat= 396, 605, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,  &end
#
#   25 LEU   QQD    37 VAL  HB       5.69
 &rst
  ixpk= 0, nxpk= 0, iat= 396, 572, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,  &end
#
#   25 LEU   QQD    48 GLU  QB       6.43
 &rst
  ixpk= 0, nxpk= 0, iat= 396,  -1, r1= 1.30, r2= 1.80, r3= 7.22, r4= 7.72,
 igr2= 737, 738,
 &end
#
#   25 LEU   QB     25 LEU  QQD      5.16
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 396, r1= 1.30, r2= 1.80, r3= 5.79, r4= 6.29,
 igr1= 394, 395,
 &end
#
#   10 LEU   HA     10 LEU  QD2      3.70
 &rst
  ixpk= 0, nxpk= 0, iat= 136,  -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
 igr2= 147, 148, 149,
 &end
#
#   58 LYS   HG2    59 LEU  HA       3.41
 &rst
  ixpk= 0, nxpk= 0, iat= 884, 901, r1= 1.30, r2= 1.80, r3= 3.41, r4= 3.91,  &end
#
#   23 MET   HB2    25 LEU  QQD      5.71
 &rst
  ixpk= 0, nxpk= 0, iat= 358, 396, r1= 1.30, r2= 1.80, r3= 5.71, r4= 6.21,  &end
#
#   58 LYS   HB3    58 LYS  HG2      2.82
 &rst
  ixpk= 0, nxpk= 0, iat= 882, 884, r1= 1.30, r2= 1.80, r3= 2.82, r4= 3.32,  &end
#
#   35 LEU   QD1    50 SER  QB       3.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 538, 539, 540,
 igr2= 759, 760,
 &end
#
#   35 LEU   QD1    50 SER  HA       5.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 757, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 538, 539, 540,
 &end
#
#   35 LEU   QD1    36 PHE  HA       4.52
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 550, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,
 igr1= 538, 539, 540,
 &end
#
#   35 LEU   HA     35 LEU  QD1      3.91
 &rst
  ixpk= 0, nxpk= 0, iat= 531,  -1, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,
 igr2= 538, 539, 540,
 &end
#
#   35 LEU   HB3    35 LEU  QD1      3.45
 &rst
  ixpk= 0, nxpk= 0, iat= 534,  -1, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64,
 igr2= 538, 539, 540,
 &end
#
#   59 LEU   QD2    63 GLU  HG3      4.79
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 963, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25,
 igr1= 912, 913, 914,
 &end
#
#   59 LEU   HA     59 LEU  QD2      3.54
 &rst
  ixpk= 0, nxpk= 0, iat= 901,  -1, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75,
 igr2= 912, 913, 914,
 &end
#
#   59 LEU   QD2    63 GLU  HG2      4.90
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 962, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
 igr1= 912, 913, 914,
 &end
#
#   10 LEU   HA     10 LEU  QD1      3.65
 &rst
  ixpk= 0, nxpk= 0, iat= 136,  -1, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,
 igr2= 143, 144, 145,
 &end
#
#   10 LEU   QD1    58 LYS  HE2      5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 890, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 143, 144, 145,
 &end
#
#   10 LEU   HB2    10 LEU  QD1      3.29
 &rst
  ixpk= 0, nxpk= 0, iat= 138,  -1, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45,
 igr2= 143, 144, 145,
 &end
#
#   10 LEU   QD1    59 LEU  QD2      3.71
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85,
 igr1= 143, 144, 145,
 igr2= 912, 913, 914,
 &end
#
#   13 LEU   QD1    69 PHE  HE       4.52
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.09, r4= 6.59,
 igr1= 196, 197, 198,
 igr2=1066,1070,
 &end
#
#   13 LEU   QD1    22 TYR  HE       5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 196, 197, 198,
 igr2= 343, 348,
 &end
#
#   13 LEU   HA     13 LEU  QD1      3.66
 &rst
  ixpk= 0, nxpk= 0, iat= 189,  -1, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,
 igr2= 196, 197, 198,
 &end
#
#   13 LEU   QD1    62 ALA  HA       4.03
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 947, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,
 igr1= 196, 197, 198,
 &end
#
#   13 LEU   HB3    13 LEU  QD1      3.86
 &rst
  ixpk= 0, nxpk= 0, iat= 192,  -1, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,
 igr2= 196, 197, 198,
 &end
#
#   13 LEU   HB2    13 LEU  QD1      3.34
 &rst
  ixpk= 0, nxpk= 0, iat= 191,  -1, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51,
 igr2= 196, 197, 198,
 &end
#
#   13 LEU   QD1    16 ILE  QD1      4.74
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.84, r4= 7.34,
 igr1= 196, 197, 198,
 igr2= 248, 249, 250,
 &end
#
#   20 LEU   QD2    22 TYR  HE       5.04
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.79, r4= 7.29,
 igr1= 310, 311, 312,
 igr2= 343, 348,
 &end
#
#   20 LEU   HB2    20 LEU  QD2      2.80
 &rst
  ixpk= 0, nxpk= 0, iat= 301,  -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr2= 310, 311, 312,
 &end
#
#   35 LEU   QD2    50 SER  QB       3.30
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95,
 igr1= 542, 543, 544,
 igr2= 759, 760,
 &end
#
#   53 THR   HA     53 THR  QG2      4.06
 &rst
  ixpk= 0, nxpk= 0, iat= 789,  -1, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,
 igr2= 793, 794, 795,
 &end
#
#   13 LEU   QD1    14 ASN  HA       4.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 208, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 196, 197, 198,
 &end
#
#   20 LEU   QD2    42 VAL  HA       4.63
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 645, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
 igr1= 310, 311, 312,
 &end
#
#   35 LEU   QD2    50 SER  HA       4.51
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 757, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,
 igr1= 542, 543, 544,
 &end
#
#   35 LEU   HA     35 LEU  QD2      2.96
 &rst
  ixpk= 0, nxpk= 0, iat= 531,  -1, r1= 1.30, r2= 1.80, r3= 3.55, r4= 4.05,
 igr2= 542, 543, 544,
 &end
#
#   35 LEU   HB3    35 LEU  QD2      3.18
 &rst
  ixpk= 0, nxpk= 0, iat= 534,  -1, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32,
 igr2= 542, 543, 544,
 &end
#
#   42 VAL   QG2    69 PHE  HD       4.25
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.73, r4= 6.23,
 igr1= 653, 654, 655,
 igr2=1064,1072,
 &end
#
#   42 VAL   QG2    69 PHE  HE       3.92
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
 igr1= 653, 654, 655,
 igr2=1066,1070,
 &end
#
#   41 GLU   HA     42 VAL  QG2      4.99
 &rst
  ixpk= 0, nxpk= 0, iat= 630,  -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
 igr2= 653, 654, 655,
 &end
#
#   42 VAL   HA     42 VAL  QG2      3.61
 &rst
  ixpk= 0, nxpk= 0, iat= 645,  -1, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84,
 igr2= 653, 654, 655,
 &end
#
#   40 VAL   QG2    42 VAL  QG2      3.99
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25,
 igr1= 622, 623, 624,
 igr2= 653, 654, 655,
 &end
#
#   40 VAL   QG2    47 PHE  HD       5.47
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.37, r4= 7.87,
 igr1= 622, 623, 624,
 igr2= 721, 729,
 &end
#
#   37 VAL   QG2    50 SER  HA       4.38
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 757, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76,
 igr1= 578, 579, 580,
 &end
#
#   37 VAL   HA     37 VAL  QG2      3.70
 &rst
  ixpk= 0, nxpk= 0, iat= 570,  -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
 igr2= 578, 579, 580,
 &end
#
#   24 LEU   HA     37 VAL  QG2      5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 373,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 578, 579, 580,
 &end
#
#   37 VAL   QG2    50 SER  QB       4.14
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08,
 igr1= 578, 579, 580,
 igr2= 759, 760,
 &end
#
#   37 VAL   QG2    38 MET  HA       5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 586, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 578, 579, 580,
 &end
#
#   41 GLU   HA     46 VAL  QQG       5.6
 &rst
  ixpk= 0, nxpk= 0, iat= 630, 700, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,  &end
#
#   39 SER   HA     46 VAL  QQG       6.4
 &rst
  ixpk= 0, nxpk= 0, iat= 603, 700, r1= 1.30, r2= 1.80, r3= 6.40, r4= 6.90,  &end
#
#   46 VAL   QQG    47 PHE  HA       6.71
 &rst
  ixpk= 0, nxpk= 0, iat= 700, 715, r1= 1.30, r2= 1.80, r3= 6.71, r4= 7.21,  &end
#
#   46 VAL   HA     46 VAL  QQG      5.17
 &rst
  ixpk= 0, nxpk= 0, iat= 699, 700, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67,  &end
#
#   39 SER   HB2    46 VAL  QQG      5.79
 &rst
  ixpk= 0, nxpk= 0, iat= 605, 700, r1= 1.30, r2= 1.80, r3= 5.79, r4= 6.29,  &end
#
#   40 VAL   QG2    41 GLU  HA       5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 630, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 622, 623, 624,
 &end
#
#   22 TYR   HD     40 VAL  QG2      4.52
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.09, r4= 6.59,
 igr1= 341, 350,
 igr2= 622, 623, 624,
 &end
#
#   22 TYR   HE     40 VAL  QG2      4.55
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.13, r4= 6.63,
 igr1= 343, 348,
 igr2= 622, 623, 624,
 &end
#
#   22 TYR   HA     40 VAL  QG2      4.48
 &rst
  ixpk= 0, nxpk= 0, iat= 335,  -1, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88,
 igr2= 622, 623, 624,
 &end
#
#   40 VAL   HA     40 VAL  QG2      3.65
 &rst
  ixpk= 0, nxpk= 0, iat= 614,  -1, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,
 igr2= 622, 623, 624,
 &end
#
#   20 LEU   HA     40 VAL  QG2      5.04
 &rst
  ixpk= 0, nxpk= 0, iat= 299,  -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
 igr2= 622, 623, 624,
 &end
#
#   22 TYR   HB3    40 VAL  QG2      5.21
 &rst
  ixpk= 0, nxpk= 0, iat= 338,  -1, r1= 1.30, r2= 1.80, r3= 6.26, r4= 6.76,
 igr2= 622, 623, 624,
 &end
#
#   20 LEU   HG     40 VAL  QG2      4.33
 &rst
  ixpk= 0, nxpk= 0, iat= 304,  -1, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,
 igr2= 622, 623, 624,
 &end
#
#   20 LEU   QD2    40 VAL  QG2      3.81
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99,
 igr1= 310, 311, 312,
 igr2= 622, 623, 624,
 &end
#
#   24 LEU   QD2    37 VAL  QG2      4.87
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.58, r4= 7.08,
 igr1= 384, 385, 386,
 igr2= 578, 579, 580,
 &end
#
#   42 VAL   QG1    69 PHE  HD       3.93
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 649, 650, 651,
 igr2=1064,1072,
 &end
#
#   42 VAL   QG1    69 PHE  HE       3.73
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,
 igr1= 649, 650, 651,
 igr2=1066,1070,
 &end
#
#   42 VAL   HA     42 VAL  QG1      3.52
 &rst
  ixpk= 0, nxpk= 0, iat= 645,  -1, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73,
 igr2= 649, 650, 651,
 &end
#
#   42 VAL   QG1    43 ASN  HB3      4.32
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 664, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,
 igr1= 649, 650, 651,
 &end
#
#   42 VAL   QG1    43 ASN  HB2      4.05
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 663, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
 igr1= 649, 650, 651,
 &end
#
#   40 VAL   QG2    42 VAL  QG1      5.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 622, 623, 624,
 igr2= 649, 650, 651,
 &end
#
#   35 LEU   HG     37 VAL  QG2      4.76
 &rst
  ixpk= 0, nxpk= 0, iat= 536,  -1, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,
 igr2= 578, 579, 580,
 &end
#
#   46 VAL   QQG    47 PHE  HE       7.31
 &rst
  ixpk= 0, nxpk= 0, iat= 700,  -1, r1= 1.30, r2= 1.80, r3= 8.21, r4= 8.71,
 igr2= 723, 727,
 &end
#
#   23 MET   QE     46 VAL  QQG      5.54
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 700, r1= 1.30, r2= 1.80, r3= 6.65, r4= 7.15,
 igr1= 365, 366, 367,
 &end
#
#   37 VAL   QG1    50 SER  HA       4.02
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 757, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
 igr1= 574, 575, 576,
 &end
#
#   37 VAL   HA     37 VAL  QG1      3.53
 &rst
  ixpk= 0, nxpk= 0, iat= 570,  -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr2= 574, 575, 576,
 &end
#
#   37 VAL   QG1    50 SER  QB       3.42
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,
 igr1= 574, 575, 576,
 igr2= 759, 760,
 &end
#
#   36 PHE   HB3    37 VAL  QG1      5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 553,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 574, 575, 576,
 &end
#
#   70 VAL   QQG    73 PRO  QB       7.11
 &rst
  ixpk= 0, nxpk= 0, iat=1079,  -1, r1= 1.30, r2= 1.80, r3= 7.98, r4= 8.48,
 igr2=1136,1137,
 &end
#
#   16 ILE   QG2    70 VAL  QQG      5.64
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1079, r1= 1.30, r2= 1.80, r3= 6.77, r4= 7.27,
 igr1= 241, 242, 243,
 &end
#
#   69 PHE   HD     70 VAL  QQG       7.2
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1079, r1= 1.30, r2= 1.80, r3= 8.08, r4= 8.58,
 igr1=1064,1072,
 &end
#
#   67 ARG   QD     70 VAL  QQG      7.29
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1079, r1= 1.30, r2= 1.80, r3= 8.18, r4= 8.68,
 igr1=1031,1032,
 &end
#
#   69 PHE   HB2    70 VAL  QQG       7.7
 &rst
  ixpk= 0, nxpk= 0, iat=1060,1079, r1= 1.30, r2= 1.80, r3= 7.70, r4= 8.20,  &end
#
#    8 ASN   HA      9 ALA  QB       5.18
 &rst
  ixpk= 0, nxpk= 0, iat= 112,  -1, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
 igr2= 128, 129, 130,
 &end
#
#    9 ALA   QB     63 GLU  HA       3.91
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 957, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,
 igr1= 128, 129, 130,
 &end
#
#    9 ALA   QB     63 GLU  HG2      4.27
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 962, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63,
 igr1= 128, 129, 130,
 &end
#
#    9 ALA   QB     62 ALA  QB       3.74
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1= 128, 129, 130,
 igr2= 949, 950, 951,
 &end
#
#    9 ALA   QB     66 LEU  QD2      4.08
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
 igr1= 128, 129, 130,
 igr2=1015,1016,1017,
 &end
#
#    9 ALA   QB     60 HIS  HA       5.12
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 920, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65,
 igr1= 128, 129, 130,
 &end
#
#   16 ILE   QD1    65 ALA  QB       5.38
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.76, r4= 8.26,
 igr1= 248, 249, 250,
 igr2= 996, 997, 998,
 &end
#
#   51 GLY   HA2    57 ALA  QB       4.97
 &rst
  ixpk= 0, nxpk= 0, iat= 768,  -1, r1= 1.30, r2= 1.80, r3= 5.97, r4= 6.47,
 igr2= 871, 872, 873,
 &end
#
#   47 PHE   HE     65 ALA  QB       4.45
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 723, 727,
 igr2= 996, 997, 998,
 &end
#
#   47 PHE   HD     65 ALA  QB       4.01
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.41, r4= 5.91,
 igr1= 721, 729,
 igr2= 996, 997, 998,
 &end
#
#   62 ALA   HA     65 ALA  QB       3.70
 &rst
  ixpk= 0, nxpk= 0, iat= 947,  -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
 igr2= 996, 997, 998,
 &end
#
#   40 VAL   QG2    65 ALA  QB       5.15
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.43, r4= 7.93,
 igr1= 622, 623, 624,
 igr2= 996, 997, 998,
 &end
#
#   40 VAL   QG1    47 PHE  HE       5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 618, 619, 620,
 igr2= 723, 727,
 &end
#
#   40 VAL   QG1    47 PHE  HD       4.35
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36,
 igr1= 618, 619, 620,
 igr2= 721, 729,
 &end
#
#   22 TYR   HD     40 VAL  QG1      4.62
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.23, r4= 6.73,
 igr1= 341, 350,
 igr2= 618, 619, 620,
 &end
#
#   22 TYR   HE     40 VAL  QG1      4.24
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,
 igr1= 343, 348,
 igr2= 618, 619, 620,
 &end
#
#   22 TYR   HA     40 VAL  QG1      5.12
 &rst
  ixpk= 0, nxpk= 0, iat= 335,  -1, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65,
 igr2= 618, 619, 620,
 &end
#
#   40 VAL   QG1    47 PHE  HA       4.58
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 715, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
 igr1= 618, 619, 620,
 &end
#
#   40 VAL   HA     40 VAL  QG1      4.08
 &rst
  ixpk= 0, nxpk= 0, iat= 614,  -1, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,
 igr2= 618, 619, 620,
 &end
#
#   40 VAL   QG1    62 ALA  HA       4.31
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 947, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68,
 igr1= 618, 619, 620,
 &end
#
#   40 VAL   QG1    47 PHE  HB3      4.39
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 718, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77,
 igr1= 618, 619, 620,
 &end
#
#   40 VAL   QG1    47 PHE  HB2      4.16
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 717, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
 igr1= 618, 619, 620,
 &end
#
#   40 VAL   QG1    61 ALA  QB       3.84
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,
 igr1= 618, 619, 620,
 igr2= 939, 940, 941,
 &end
#
#   36 PHE   HD     57 ALA  QB       4.98
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.71, r4= 7.21,
 igr1= 556, 564,
 igr2= 871, 872, 873,
 &end
#
#   50 SER   HA     57 ALA  QB       4.15
 &rst
  ixpk= 0, nxpk= 0, iat= 757,  -1, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48,
 igr2= 871, 872, 873,
 &end
#
#   38 MET   HA     57 ALA  QB       5.25
 &rst
  ixpk= 0, nxpk= 0, iat= 586,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr2= 871, 872, 873,
 &end
#
#   37 VAL   HA     57 ALA  QB       4.31
 &rst
  ixpk= 0, nxpk= 0, iat= 570,  -1, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68,
 igr2= 871, 872, 873,
 &end
#
#   49 GLY   HA3    57 ALA  QB       5.25
 &rst
  ixpk= 0, nxpk= 0, iat= 751,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr2= 871, 872, 873,
 &end
#
#   36 PHE   HB3    57 ALA  QB       4.32
 &rst
  ixpk= 0, nxpk= 0, iat= 553,  -1, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,
 igr2= 871, 872, 873,
 &end
#
#   38 MET   QE     57 ALA  QB       4.75
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.85, r4= 7.35,
 igr1= 595, 596, 597,
 igr2= 871, 872, 873,
 &end
#
#   40 VAL   QG1    65 ALA  QB       3.71
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85,
 igr1= 618, 619, 620,
 igr2= 996, 997, 998,
 &end
#
#   40 VAL   QG1    62 ALA  QB       4.09
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,
 igr1= 618, 619, 620,
 igr2= 949, 950, 951,
 &end
#
#   38 MET   QE     54 LYS  QE       4.27
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26,
 igr1= 595, 596, 597,
 igr2= 814, 815,
 &end
#
#   22 TYR   HD     38 MET  QE       4.12
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.55, r4= 6.05,
 igr1= 341, 350,
 igr2= 595, 596, 597,
 &end
#
#   22 TYR   HE     38 MET  QE       5.01
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.75, r4= 7.25,
 igr1= 343, 348,
 igr2= 595, 596, 597,
 &end
#
#   38 MET   HA     38 MET  QE       4.01
 &rst
  ixpk= 0, nxpk= 0, iat= 586,  -1, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32,
 igr2= 595, 596, 597,
 &end
#
#   24 LEU   HA     38 MET  QE       3.95
 &rst
  ixpk= 0, nxpk= 0, iat= 373,  -1, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,
 igr2= 595, 596, 597,
 &end
#
#   23 MET   HA     38 MET  QE       5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 356,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 595, 596, 597,
 &end
#
#   38 MET   QE     58 LYS  HA       4.78
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 879, r1= 1.30, r2= 1.80, r3= 5.74, r4= 6.24,
 igr1= 595, 596, 597,
 &end
#
#   22 TYR   HB3    38 MET  QE       3.90
 &rst
  ixpk= 0, nxpk= 0, iat= 338,  -1, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,
 igr2= 595, 596, 597,
 &end
#
#   38 MET   HG3    38 MET  QE       3.49
 &rst
  ixpk= 0, nxpk= 0, iat= 592,  -1, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69,
 igr2= 595, 596, 597,
 &end
#
#   38 MET   HG2    38 MET  QE       4.28
 &rst
  ixpk= 0, nxpk= 0, iat= 591,  -1, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
 igr2= 595, 596, 597,
 &end
#
#   22 TYR   HE     61 ALA  QB       4.27
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26,
 igr1= 343, 348,
 igr2= 939, 940, 941,
 &end
#
#   48 GLU   HA     61 ALA  QB       4.35
 &rst
  ixpk= 0, nxpk= 0, iat= 735,  -1, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
 igr2= 939, 940, 941,
 &end
#
#   47 PHE   HB2    61 ALA  QB       5.49
 &rst
  ixpk= 0, nxpk= 0, iat= 717,  -1, r1= 1.30, r2= 1.80, r3= 6.59, r4= 7.09,
 igr2= 939, 940, 941,
 &end
#
#   40 VAL   QG2    61 ALA  QB       5.21
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.51, r4= 8.01,
 igr1= 622, 623, 624,
 igr2= 939, 940, 941,
 &end
#
#   39 SER   HA     61 ALA  QB       4.55
 &rst
  ixpk= 0, nxpk= 0, iat= 603,  -1, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96,
 igr2= 939, 940, 941,
 &end
#
#   16 ILE   HA     16 ILE  QG2      3.67
 &rst
  ixpk= 0, nxpk= 0, iat= 237,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr2= 241, 242, 243,
 &end
#
#   16 ILE   QG2    69 PHE  HD       5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 241, 242, 243,
 igr2=1064,1072,
 &end
#
#   23 MET   QE     39 SER  HB2      5.15
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 605, r1= 1.30, r2= 1.80, r3= 6.18, r4= 6.68,
 igr1= 365, 366, 367,
 &end
#
#   23 MET   QE     46 VAL  HA       5.30
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 699, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1= 365, 366, 367,
 &end
#
#   23 MET   HG3    23 MET  QE       4.49
 &rst
  ixpk= 0, nxpk= 0, iat= 362,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr2= 365, 366, 367,
 &end
#
#   16 ILE   QD1    69 PHE  HD       4.96
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.69, r4= 7.19,
 igr1= 248, 249, 250,
 igr2=1064,1072,
 &end
#
#   16 ILE   QD1    69 PHE  HE       4.90
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 248, 249, 250,
 igr2=1066,1070,
 &end
#
#   13 LEU   HA     16 ILE  QD1      3.79
 &rst
  ixpk= 0, nxpk= 0, iat= 189,  -1, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05,
 igr2= 248, 249, 250,
 &end
#
#   16 ILE   HB     16 ILE  QD1      3.65
 &rst
  ixpk= 0, nxpk= 0, iat= 239,  -1, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,
 igr2= 248, 249, 250,
 &end
#
#   16 ILE   QG2    16 ILE  QD1      3.29
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25,
 igr1= 241, 242, 243,
 igr2= 248, 249, 250,
 &end
#
#   52 PRO   QG     53 THR  HB       5.31
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 791, r1= 1.30, r2= 1.80, r3= 5.96, r4= 6.46,
 igr1= 777, 778,
 &end
#
#   52 PRO   QB     53 THR  HB       5.08
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 791, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,
 igr1= 780, 781,
 &end
#
#   50 SER   QB     51 GLY  H        3.92
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 766, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,
 igr1= 759, 760,
 &end
#
#   25 LEU   HG     39 SER  HB3      4.82
 &rst
  ixpk= 0, nxpk= 0, iat= 397, 606, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32,  &end
#
#   39 SER   HB2    61 ALA  QB       5.19
 &rst
  ixpk= 0, nxpk= 0, iat= 605,  -1, r1= 1.30, r2= 1.80, r3= 6.23, r4= 6.73,
 igr2= 939, 940, 941,
 &end
#
#   68 SER   HB3    69 PHE  H        4.21
 &rst
  ixpk= 0, nxpk= 0, iat=1050,1056, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71,  &end
#
#   16 ILE   HA     16 ILE  QD1      5.22
 &rst
  ixpk= 0, nxpk= 0, iat= 237,  -1, r1= 1.30, r2= 1.80, r3= 6.27, r4= 6.77,
 igr2= 248, 249, 250,
 &end
#
#   16 ILE   HA     17 LYS  HB3      6.50
 &rst
  ixpk= 0, nxpk= 0, iat= 237, 259, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,  &end
#
#   46 VAL   HA     47 PHE  HD       4.85
 &rst
  ixpk= 0, nxpk= 0, iat= 699,  -1, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94,
 igr2= 721, 729,
 &end
#
#   37 VAL   HA     48 GLU  HG3      5.13
 &rst
  ixpk= 0, nxpk= 0, iat= 570, 741, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63,  &end
#
#   37 VAL   HA     38 MET  HG3      5.20
 &rst
  ixpk= 0, nxpk= 0, iat= 570, 592, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,  &end
#
#   40 VAL   QG2    46 VAL  HA       5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 699, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 622, 623, 624,
 &end
#
#   41 GLU   HA     42 VAL  HA       4.85
 &rst
  ixpk= 0, nxpk= 0, iat= 630, 645, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,  &end
#
#   41 GLU   HG2    42 VAL  HA       5.26
 &rst
  ixpk= 0, nxpk= 0, iat= 635, 645, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76,  &end
#
#   67 ARG   HB3    68 SER  HA       4.79
 &rst
  ixpk= 0, nxpk= 0, iat=1026,1047, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,  &end
#
#   53 THR   HB     54 LYS  HA       6.07
 &rst
  ixpk= 0, nxpk= 0, iat= 791, 803, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,  &end
#
#   40 VAL   HA     46 VAL  QQG      6.71
 &rst
  ixpk= 0, nxpk= 0, iat= 614, 700, r1= 1.30, r2= 1.80, r3= 6.71, r4= 7.21,  &end
#
#   22 TYR   H      40 VAL  HA       5.03
 &rst
  ixpk= 0, nxpk= 0, iat= 333, 614, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,  &end
#
#   67 ARG   H      68 SER  HA       5.22
 &rst
  ixpk= 0, nxpk= 0, iat=1021,1047, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,  &end
#
#   55 LYS   HA     58 LYS  HG2      4.68
 &rst
  ixpk= 0, nxpk= 0, iat= 825, 884, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,  &end
#
#   63 GLU   HA     64 LYS  HA       4.90
 &rst
  ixpk= 0, nxpk= 0, iat= 957, 972, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,  &end
#
#   63 GLU   HA     66 LEU  HB3      4.05
 &rst
  ixpk= 0, nxpk= 0, iat= 957,1007, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55,  &end
#
#   69 PHE   HA     70 VAL  QQG      7.16
 &rst
  ixpk= 0, nxpk= 0, iat=1058,1079, r1= 1.30, r2= 1.80, r3= 7.16, r4= 7.66,  &end
#
#   11 MET   HA     14 ASN  QB       4.94
 &rst
  ixpk= 0, nxpk= 0, iat= 155,  -1, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,
 igr2= 210, 211,
 &end
#
#   56 LYS   HA     59 LEU  H        4.27
 &rst
  ixpk= 0, nxpk= 0, iat= 847, 899, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,  &end
#
#   56 LYS   HA     59 LEU  QD2      4.60
 &rst
  ixpk= 0, nxpk= 0, iat= 847,  -1, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02,
 igr2= 912, 913, 914,
 &end
#
#   13 LEU   HA     17 LYS  H        5.07
 &rst
  ixpk= 0, nxpk= 0, iat= 189, 254, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,  &end
#
#   13 LEU   HA     16 ILE  H        4.84
 &rst
  ixpk= 0, nxpk= 0, iat= 189, 235, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,  &end
#
#   47 PHE   HA     48 GLU  QB       4.96
 &rst
  ixpk= 0, nxpk= 0, iat= 715,  -1, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07,
 igr2= 737, 738,
 &end
#
#   25 LEU   HA     37 VAL  H        5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 392, 568, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   24 LEU   HA     36 PHE  HD       5.19
 &rst
  ixpk= 0, nxpk= 0, iat= 373,  -1, r1= 1.30, r2= 1.80, r3= 5.83, r4= 6.33,
 igr2= 556, 564,
 &end
#
#   14 ASN   HA     17 LYS  H        4.79
 &rst
  ixpk= 0, nxpk= 0, iat= 208, 254, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,  &end
#
#   24 LEU   HA     25 LEU  HA       4.87
 &rst
  ixpk= 0, nxpk= 0, iat= 373, 392, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37,  &end
#
#   20 LEU   HA     21 GLN  HB2      5.03
 &rst
  ixpk= 0, nxpk= 0, iat= 299, 320, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,  &end
#
#   20 LEU   HA     21 GLN  H        3.55
 &rst
  ixpk= 0, nxpk= 0, iat= 299, 316, r1= 1.30, r2= 1.80, r3= 3.55, r4= 4.05,  &end
#
#   20 LEU   HA     21 GLN  HG2      4.72
 &rst
  ixpk= 0, nxpk= 0, iat= 299, 323, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,  &end
#
#    9 ALA   HA     12 GLN  HB3      4.85
 &rst
  ixpk= 0, nxpk= 0, iat= 126, 175, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,  &end
#
#    9 ALA   QB     62 ALA  HA       5.38
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 947, r1= 1.30, r2= 1.80, r3= 6.46, r4= 6.96,
 igr1= 128, 129, 130,
 &end
#
#   61 ALA   HA     64 LYS  H        4.52
 &rst
  ixpk= 0, nxpk= 0, iat= 937, 970, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02,  &end
#
#   49 GLY   HA3    61 ALA  HA       4.27
 &rst
  ixpk= 0, nxpk= 0, iat= 751, 937, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,  &end
#
#   61 ALA   HA     64 LYS  QB       4.68
 &rst
  ixpk= 0, nxpk= 0, iat= 937,  -1, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75,
 igr2= 974, 975,
 &end
#
#   40 VAL   QG1    61 ALA  HA       5.11
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 937, r1= 1.30, r2= 1.80, r3= 6.14, r4= 6.64,
 igr1= 618, 619, 620,
 &end
#
#   51 GLY   H      57 ALA  HA       4.85
 &rst
  ixpk= 0, nxpk= 0, iat= 766, 869, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,  &end
#
#   49 GLY   HA3    57 ALA  HA       4.55
 &rst
  ixpk= 0, nxpk= 0, iat= 751, 869, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05,  &end
#
#   24 LEU   HA     25 LEU  QQD      7.27
 &rst
  ixpk= 0, nxpk= 0, iat= 373, 396, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,  &end
#
#    9 ALA   HA     66 LEU  QD2      4.90
 &rst
  ixpk= 0, nxpk= 0, iat= 126,  -1, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
 igr2=1015,1016,1017,
 &end
#
#    9 ALA   HA     59 LEU  QD2      5.44
 &rst
  ixpk= 0, nxpk= 0, iat= 126,  -1, r1= 1.30, r2= 1.80, r3= 6.53, r4= 7.03,
 igr2= 912, 913, 914,
 &end
#
#   62 ALA   HA     64 LYS  H        5.04
 &rst
  ixpk= 0, nxpk= 0, iat= 947, 970, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,  &end
#
#   47 PHE   H      48 GLU  HA       4.99
 &rst
  ixpk= 0, nxpk= 0, iat= 713, 735, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49,  &end
#
#   21 GLN   HA     41 GLU  H        5.15
 &rst
  ixpk= 0, nxpk= 0, iat= 318, 628, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,  &end
#
#   35 LEU   HA     36 PHE  HB3      5.60
 &rst
  ixpk= 0, nxpk= 0, iat= 531, 553, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,  &end
#
#   62 ALA   HA     65 ALA  H        4.67
 &rst
  ixpk= 0, nxpk= 0, iat= 947, 992, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,  &end
#
#   23 MET   HA     24 LEU  HB2      5.01
 &rst
  ixpk= 0, nxpk= 0, iat= 356, 375, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51,  &end
#
#   65 ALA   HA     68 SER  H        4.91
 &rst
  ixpk= 0, nxpk= 0, iat= 994,1045, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,  &end
#
#   47 PHE   H      65 ALA  HA       5.27
 &rst
  ixpk= 0, nxpk= 0, iat= 713, 994, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77,  &end
#
#   22 TYR   HA     23 MET  HA       5.08
 &rst
  ixpk= 0, nxpk= 0, iat= 335, 356, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,  &end
#
#   42 VAL   QG1    43 ASN  HA       5.46
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 661, r1= 1.30, r2= 1.80, r3= 6.56, r4= 7.06,
 igr1= 649, 650, 651,
 &end
#
#   24 LEU   HB2    38 MET  HA       4.81
 &rst
  ixpk= 0, nxpk= 0, iat= 375, 586, r1= 1.30, r2= 1.80, r3= 4.81, r4= 5.31,  &end
#
#   25 LEU   H      38 MET  HA       4.33
 &rst
  ixpk= 0, nxpk= 0, iat= 390, 586, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,  &end
#
#    5 LEU   QQD     8 ASN  HA       6.26
 &rst
  ixpk= 0, nxpk= 0, iat=  61, 112, r1= 1.30, r2= 1.80, r3= 6.26, r4= 6.76,  &end
#
#   17 LYS   HA     20 LEU  HB3      4.59
 &rst
  ixpk= 0, nxpk= 0, iat= 256, 302, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09,  &end
#
#   35 LEU   QD2    51 GLY  HA3      4.76
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 769, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,
 igr1= 542, 543, 544,
 &end
#
#   51 GLY   HA3    57 ALA  QB       4.69
 &rst
  ixpk= 0, nxpk= 0, iat= 769,  -1, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13,
 igr2= 871, 872, 873,
 &end
#
#   35 LEU   QD2    51 GLY  HA2      5.20
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 768, r1= 1.30, r2= 1.80, r3= 6.24, r4= 6.74,
 igr1= 542, 543, 544,
 &end
#
#   35 LEU   HB3    36 PHE  H        4.94
 &rst
  ixpk= 0, nxpk= 0, iat= 534, 548, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,  &end
#
#   66 LEU   QD1    67 ARG  QD       5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1011,1012,1013,
 igr2=1031,1032,
 &end
#
#   67 ARG   H      67 ARG  QD       4.32
 &rst
  ixpk= 0, nxpk= 0, iat=1021,  -1, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
 igr2=1031,1032,
 &end
#
#   67 ARG   QD     68 SER  H        5.29
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1045, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
 igr1=1031,1032,
 &end
#
#   35 LEU   HB2    36 PHE  H        4.95
 &rst
  ixpk= 0, nxpk= 0, iat= 533, 548, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,  &end
#
#   20 LEU   HB3    21 GLN  H        4.52
 &rst
  ixpk= 0, nxpk= 0, iat= 302, 316, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02,  &end
#
#   25 LEU   QB     37 VAL  HB       4.55
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 572, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61,
 igr1= 394, 395,
 &end
#
#   47 PHE   HB3    48 GLU  H        5.07
 &rst
  ixpk= 0, nxpk= 0, iat= 718, 733, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,  &end
#
#   19 GLY   HA2    20 LEU  HB3      4.94
 &rst
  ixpk= 0, nxpk= 0, iat= 292, 302, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,  &end
#
#   65 ALA   H      66 LEU  HB3      5.12
 &rst
  ixpk= 0, nxpk= 0, iat= 992,1007, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,  &end
#
#   66 LEU   HB3    67 ARG  H        4.16
 &rst
  ixpk= 0, nxpk= 0, iat=1007,1021, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66,  &end
#
#   10 LEU   HB2    11 MET  H        5.02
 &rst
  ixpk= 0, nxpk= 0, iat= 138, 153, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52,  &end
#
#   13 LEU   HB2    13 LEU  QD2      3.82
 &rst
  ixpk= 0, nxpk= 0, iat= 191,  -1, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09,
 igr2= 200, 201, 202,
 &end
#
#   24 LEU   HB2    38 MET  HB3      5.25
 &rst
  ixpk= 0, nxpk= 0, iat= 375, 589, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75,  &end
#
#   20 LEU   HB2    21 GLN  HA       5.05
 &rst
  ixpk= 0, nxpk= 0, iat= 301, 318, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,  &end
#
#   20 LEU   HB2    40 VAL  QG2      4.77
 &rst
  ixpk= 0, nxpk= 0, iat= 301,  -1, r1= 1.30, r2= 1.80, r3= 5.73, r4= 6.23,
 igr2= 622, 623, 624,
 &end
#
#   55 LYS   HA     55 LYS  QE       4.88
 &rst
  ixpk= 0, nxpk= 0, iat= 825,  -1, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98,
 igr2= 836, 837,
 &end
#
#   46 VAL   HA     47 PHE  HB2      5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 699, 717, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   36 PHE   HB2    57 ALA  QB       5.15
 &rst
  ixpk= 0, nxpk= 0, iat= 552,  -1, r1= 1.30, r2= 1.80, r3= 6.18, r4= 6.68,
 igr2= 871, 872, 873,
 &end
#
#   13 LEU   HB3    14 ASN  H        4.83
 &rst
  ixpk= 0, nxpk= 0, iat= 192, 206, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,  &end
#
#   16 ILE   HB     17 LYS  H        4.43
 &rst
  ixpk= 0, nxpk= 0, iat= 239, 254, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93,  &end
#
#   16 ILE   H      16 ILE  HB       3.95
 &rst
  ixpk= 0, nxpk= 0, iat= 235, 239, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45,  &end
#
#   42 VAL   HB     69 PHE  HB3      5.07
 &rst
  ixpk= 0, nxpk= 0, iat= 647,1061, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,  &end
#
#    8 ASN   HB3     9 ALA  QB       5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 115,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 128, 129, 130,
 &end
#
#   43 ASN   HB2    72 PHE  HB2      4.78
 &rst
  ixpk= 0, nxpk= 0, iat= 663,1113, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28,  &end
#
#   69 PHE   HA     72 PHE  HB2      3.47
 &rst
  ixpk= 0, nxpk= 0, iat=1058,1113, r1= 1.30, r2= 1.80, r3= 3.47, r4= 3.97,  &end
#
#   58 LYS   HE2    59 LEU  QD2      5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 890,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 912, 913, 914,
 &end
#
#   21 GLN   HA     22 TYR  HB2      4.76
 &rst
  ixpk= 0, nxpk= 0, iat= 318, 337, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,  &end
#
#   22 TYR   HB2    38 MET  QE       5.15
 &rst
  ixpk= 0, nxpk= 0, iat= 337,  -1, r1= 1.30, r2= 1.80, r3= 6.18, r4= 6.68,
 igr2= 595, 596, 597,
 &end
#
#   16 ILE   HB     17 LYS  HA       4.94
 &rst
  ixpk= 0, nxpk= 0, iat= 239, 256, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,  &end
#
#   63 GLU   HG3    64 LYS  H        5.13
 &rst
  ixpk= 0, nxpk= 0, iat= 963, 970, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63,  &end
#
#   60 HIS   HA     63 GLU  HG3      4.70
 &rst
  ixpk= 0, nxpk= 0, iat= 920, 963, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,  &end
#
#   43 ASN   HB3    69 PHE  HD       4.87
 &rst
  ixpk= 0, nxpk= 0, iat= 664,  -1, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
 igr2=1064,1072,
 &end
#
#   15 GLU   H      15 GLU  HG3      4.55
 &rst
  ixpk= 0, nxpk= 0, iat= 220, 228, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05,  &end
#
#   63 GLU   H      63 GLU  HG3      4.09
 &rst
  ixpk= 0, nxpk= 0, iat= 955, 963, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59,  &end
#
#   63 GLU   HA     63 GLU  HG3      4.22
 &rst
  ixpk= 0, nxpk= 0, iat= 957, 963, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72,  &end
#
#   59 LEU   HA     63 GLU  HG3      5.08
 &rst
  ixpk= 0, nxpk= 0, iat= 901, 963, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,  &end
#
#   63 GLU   H      63 GLU  HG2      4.22
 &rst
  ixpk= 0, nxpk= 0, iat= 955, 962, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72,  &end
#
#   15 GLU   H      15 GLU  HG2      5.12
 &rst
  ixpk= 0, nxpk= 0, iat= 220, 227, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,  &end
#
#   60 HIS   HA     63 GLU  HG2      4.54
 &rst
  ixpk= 0, nxpk= 0, iat= 920, 962, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,  &end
#
#   48 GLU   H      48 GLU  HG3      4.64
 &rst
  ixpk= 0, nxpk= 0, iat= 733, 741, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,  &end
#
#   25 LEU   QQD    48 GLU  HG3      6.49
 &rst
  ixpk= 0, nxpk= 0, iat= 396, 741, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,  &end
#
#   48 GLU   HG2    49 GLY  HA3      5.15
 &rst
  ixpk= 0, nxpk= 0, iat= 740, 751, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,  &end
#
#   48 GLU   HG2    49 GLY  H        4.90
 &rst
  ixpk= 0, nxpk= 0, iat= 740, 748, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,  &end
#
#   48 GLU   H      48 GLU  HG2      5.07
 &rst
  ixpk= 0, nxpk= 0, iat= 733, 740, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,  &end
#
#   41 GLU   HG3    45 GLN  H        5.17
 &rst
  ixpk= 0, nxpk= 0, iat= 636, 680, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67,  &end
#
#   38 MET   HB2    58 LYS  HA       5.02
 &rst
  ixpk= 0, nxpk= 0, iat= 588, 879, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52,  &end
#
#   41 GLU   HG3    42 VAL  H        4.28
 &rst
  ixpk= 0, nxpk= 0, iat= 636, 643, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78,  &end
#
#   38 MET   HB3    58 LYS  HA       4.96
 &rst
  ixpk= 0, nxpk= 0, iat= 589, 879, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,  &end
#
#   41 GLU   HG2    45 GLN  H        4.86
 &rst
  ixpk= 0, nxpk= 0, iat= 635, 680, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,  &end
#
#   41 GLU   HG2    42 VAL  H        4.23
 &rst
  ixpk= 0, nxpk= 0, iat= 635, 643, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73,  &end
#
#   41 GLU   H      41 GLU  HG2      4.53
 &rst
  ixpk= 0, nxpk= 0, iat= 628, 635, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,  &end
#
#   20 LEU   HB2    21 GLN  HG2      5.09
 &rst
  ixpk= 0, nxpk= 0, iat= 301, 323, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,  &end
#
#   12 GLN   HG3    16 ILE  H        5.17
 &rst
  ixpk= 0, nxpk= 0, iat= 178, 235, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67,  &end
#
#   12 GLN   HG3    13 LEU  H        5.12
 &rst
  ixpk= 0, nxpk= 0, iat= 178, 187, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,  &end
#
#   12 GLN   H      12 GLN  HG3      4.29
 &rst
  ixpk= 0, nxpk= 0, iat= 170, 178, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79,  &end
#
#   42 VAL   H      42 VAL  HB       4.06
 &rst
  ixpk= 0, nxpk= 0, iat= 643, 647, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56,  &end
#
#   42 VAL   HB     69 PHE  HE       4.27
 &rst
  ixpk= 0, nxpk= 0, iat= 647,  -1, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,
 igr2=1066,1070,
 &end
#
#   41 GLU   HA     42 VAL  HB       4.71
 &rst
  ixpk= 0, nxpk= 0, iat= 630, 647, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,  &end
#
#   12 GLN   H      12 GLN  HG2      4.39
 &rst
  ixpk= 0, nxpk= 0, iat= 170, 177, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89,  &end
#
#   11 MET   HB2    12 GLN  H        4.94
 &rst
  ixpk= 0, nxpk= 0, iat= 157, 170, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,  &end
#
#   23 MET   HB2    24 LEU  H        5.07
 &rst
  ixpk= 0, nxpk= 0, iat= 358, 371, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,  &end
#
#   21 GLN   H      21 GLN  HG3      4.17
 &rst
  ixpk= 0, nxpk= 0, iat= 316, 324, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67,  &end
#
#   20 LEU   HA     21 GLN  HG3      5.06
 &rst
  ixpk= 0, nxpk= 0, iat= 299, 324, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,  &end
#
#   21 GLN   HG2    22 TYR  H        4.69
 &rst
  ixpk= 0, nxpk= 0, iat= 323, 333, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19,  &end
#
#   21 GLN   H      21 GLN  HG2      4.33
 &rst
  ixpk= 0, nxpk= 0, iat= 316, 323, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,  &end
#
#   45 GLN   H      45 GLN  HG3      4.25
 &rst
  ixpk= 0, nxpk= 0, iat= 680, 688, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75,  &end
#
#   45 GLN   HG2    46 VAL  H        4.53
 &rst
  ixpk= 0, nxpk= 0, iat= 687, 697, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,  &end
#
#   45 GLN   HG2    47 PHE  HD       4.97
 &rst
  ixpk= 0, nxpk= 0, iat= 687,  -1, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
 igr2= 721, 729,
 &end
#
#   38 MET   H      38 MET  HG3      4.89
 &rst
  ixpk= 0, nxpk= 0, iat= 584, 592, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39,  &end
#
#   38 MET   HG2    58 LYS  HA       4.94
 &rst
  ixpk= 0, nxpk= 0, iat= 591, 879, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,  &end
#
#   45 GLN   HG2    47 PHE  HE       4.47
 &rst
  ixpk= 0, nxpk= 0, iat= 687,  -1, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52,
 igr2= 723, 727,
 &end
#
#   48 GLU   QB     49 GLY  H        4.21
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 748, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,
 igr1= 737, 738,
 &end
#
#   17 LYS   HB2    20 LEU  QD1      4.05
 &rst
  ixpk= 0, nxpk= 0, iat= 258,  -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
 igr2= 306, 307, 308,
 &end
#
#   47 PHE   HB3    64 LYS  QB       4.73
 &rst
  ixpk= 0, nxpk= 0, iat= 718,  -1, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,
 igr2= 974, 975,
 &end
#
#   64 LYS   QB     64 LYS  QD       2.90
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.65, r4= 4.15,
 igr1= 974, 975,
 igr2= 980, 981,
 &end
#
#   45 GLN   HB3    46 VAL  H        4.64
 &rst
  ixpk= 0, nxpk= 0, iat= 685, 697, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,  &end
#
#   45 GLN   HB3    47 PHE  HE       4.21
 &rst
  ixpk= 0, nxpk= 0, iat= 685,  -1, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,
 igr2= 723, 727,
 &end
#
#   55 LYS   H      56 LYS  HB3      4.95
 &rst
  ixpk= 0, nxpk= 0, iat= 823, 850, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,  &end
#
#   46 VAL   HB     47 PHE  H        4.90
 &rst
  ixpk= 0, nxpk= 0, iat= 701, 713, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,  &end
#
#   56 LYS   HB2    59 LEU  QD1      5.36
 &rst
  ixpk= 0, nxpk= 0, iat= 849,  -1, r1= 1.30, r2= 1.80, r3= 6.44, r4= 6.94,
 igr2= 908, 909, 910,
 &end
#
#   23 MET   H      23 MET  HG3      4.27
 &rst
  ixpk= 0, nxpk= 0, iat= 354, 362, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,  &end
#
#   23 MET   H      23 MET  HG2      4.22
 &rst
  ixpk= 0, nxpk= 0, iat= 354, 361, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72,  &end
#
#   45 GLN   HB3    47 PHE  HD       4.51
 &rst
  ixpk= 0, nxpk= 0, iat= 685,  -1, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,
 igr2= 721, 729,
 &end
#
#   42 VAL   H      45 GLN  HB2      4.57
 &rst
  ixpk= 0, nxpk= 0, iat= 643, 684, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07,  &end
#
#   45 GLN   HB2    69 PHE  HA       4.62
 &rst
  ixpk= 0, nxpk= 0, iat= 684,1058, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,  &end
#
#   55 LYS   H      55 LYS  QB       3.82
 &rst
  ixpk= 0, nxpk= 0, iat= 823,  -1, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79,
 igr2= 827, 828,
 &end
#
#   17 LYS   H      17 LYS  HB2      4.10
 &rst
  ixpk= 0, nxpk= 0, iat= 254, 258, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,  &end
#
#   24 LEU   QD2    54 LYS  QB       5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 384, 385, 386,
 igr2= 805, 806,
 &end
#
#   11 MET   H      11 MET  QG       4.47
 &rst
  ixpk= 0, nxpk= 0, iat= 153,  -1, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52,
 igr2= 160, 161,
 &end
#
#   41 GLU   HB2    42 VAL  H        4.85
 &rst
  ixpk= 0, nxpk= 0, iat= 632, 643, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,  &end
#
#   10 LEU   HB3    11 MET  QG       5.25
 &rst
  ixpk= 0, nxpk= 0, iat= 139,  -1, r1= 1.30, r2= 1.80, r3= 5.89, r4= 6.39,
 igr2= 160, 161,
 &end
#
#   41 GLU   HB3    42 VAL  H        4.43
 &rst
  ixpk= 0, nxpk= 0, iat= 633, 643, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93,  &end
#
#   60 HIS   HB3    61 ALA  QB       5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 923,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 939, 940, 941,
 &end
#
#   49 GLY   HA2    60 HIS  HB2      5.02
 &rst
  ixpk= 0, nxpk= 0, iat= 750, 922, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52,  &end
#
#   60 HIS   HB2    61 ALA  QB       5.36
 &rst
  ixpk= 0, nxpk= 0, iat= 922,  -1, r1= 1.30, r2= 1.80, r3= 6.44, r4= 6.94,
 igr2= 939, 940, 941,
 &end
#
#   63 GLU   H      63 GLU  HB3      4.14
 &rst
  ixpk= 0, nxpk= 0, iat= 955, 960, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64,  &end
#
#   15 GLU   H      15 GLU  HB2      4.09
 &rst
  ixpk= 0, nxpk= 0, iat= 220, 224, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59,  &end
#
#   12 GLN   H      15 GLU  HB2      5.13
 &rst
  ixpk= 0, nxpk= 0, iat= 170, 224, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63,  &end
#
#   63 GLU   H      63 GLU  HB2      3.74
 &rst
  ixpk= 0, nxpk= 0, iat= 955, 959, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24,  &end
#
#   21 GLN   H      21 GLN  HB3      4.15
 &rst
  ixpk= 0, nxpk= 0, iat= 316, 321, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65,  &end
#
#   20 LEU   QD2    21 GLN  HB3      4.15
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 321, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
 igr1= 310, 311, 312,
 &end
#
#   63 GLU   HB2    64 LYS  H        4.06
 &rst
  ixpk= 0, nxpk= 0, iat= 959, 970, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56,  &end
#
#   20 LEU   QD2    21 GLN  HB2      4.04
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 320, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
 igr1= 310, 311, 312,
 &end
#
#   21 GLN   H      21 GLN  HB2      3.96
 &rst
  ixpk= 0, nxpk= 0, iat= 316, 320, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,  &end
#
#   64 LYS   H      64 LYS  QD       3.78
 &rst
  ixpk= 0, nxpk= 0, iat= 970,  -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr2= 980, 981,
 &end
#
#   64 LYS   QD     65 ALA  H        5.12
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 992, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25,
 igr1= 980, 981,
 &end
#
#   56 LYS   HA     56 LYS  QD       4.65
 &rst
  ixpk= 0, nxpk= 0, iat= 847,  -1, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
 igr2= 855, 856,
 &end
#
#   58 LYS   H      58 LYS  HD3      5.09
 &rst
  ixpk= 0, nxpk= 0, iat= 877, 888, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,  &end
#
#   38 MET   QE     58 LYS  HD2      5.09
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 887, r1= 1.30, r2= 1.80, r3= 6.11, r4= 6.61,
 igr1= 595, 596, 597,
 &end
#
#   10 LEU   QD1    58 LYS  HD2      5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 887, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 143, 144, 145,
 &end
#
#   67 ARG   HB2    68 SER  HA       4.47
 &rst
  ixpk= 0, nxpk= 0, iat=1025,1047, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97,  &end
#
#   67 ARG   HB3    68 SER  H        4.72
 &rst
  ixpk= 0, nxpk= 0, iat=1026,1045, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,  &end
#
#   67 ARG   HB2    68 SER  H        5.06
 &rst
  ixpk= 0, nxpk= 0, iat=1025,1045, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,  &end
#
#   67 ARG   H      67 ARG  HB2      3.95
 &rst
  ixpk= 0, nxpk= 0, iat=1021,1025, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45,  &end
#
#   16 ILE   H      16 ILE  HG13     4.30
 &rst
  ixpk= 0, nxpk= 0, iat= 235, 246, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,  &end
#
#   13 LEU   HA     16 ILE  HG13     4.00
 &rst
  ixpk= 0, nxpk= 0, iat= 189, 246, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   10 LEU   H      10 LEU  HG       4.80
 &rst
  ixpk= 0, nxpk= 0, iat= 134, 141, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,  &end
#
#   16 ILE   HG12   17 LYS  H        5.12
 &rst
  ixpk= 0, nxpk= 0, iat= 245, 254, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,  &end
#
#   16 ILE   H      16 ILE  HG12     4.54
 &rst
  ixpk= 0, nxpk= 0, iat= 235, 245, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,  &end
#
#   56 LYS   HA     56 LYS  HG3      3.81
 &rst
  ixpk= 0, nxpk= 0, iat= 847, 853, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31,  &end
#
#   56 LYS   HG2    59 LEU  QD1      4.74
 &rst
  ixpk= 0, nxpk= 0, iat= 852,  -1, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
 igr2= 908, 909, 910,
 &end
#
#   59 LEU   H      59 LEU  HG       5.06
 &rst
  ixpk= 0, nxpk= 0, iat= 899, 906, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,  &end
#
#   59 LEU   HA     59 LEU  HG       4.14
 &rst
  ixpk= 0, nxpk= 0, iat= 901, 906, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64,  &end
#
#   25 LEU   HG     39 SER  H        5.01
 &rst
  ixpk= 0, nxpk= 0, iat= 397, 601, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51,  &end
#
#   25 LEU   H      25 LEU  HG       4.30
 &rst
  ixpk= 0, nxpk= 0, iat= 390, 397, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,  &end
#
#   35 LEU   HG     36 PHE  HA       6.20
 &rst
  ixpk= 0, nxpk= 0, iat= 536, 550, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70,  &end
#
#   35 LEU   HG     36 PHE  H        4.59
 &rst
  ixpk= 0, nxpk= 0, iat= 536, 548, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09,  &end
#
#   35 LEU   HG     50 SER  QB       4.94
 &rst
  ixpk= 0, nxpk= 0, iat= 536,  -1, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,
 igr2= 759, 760,
 &end
#
#   35 LEU   H      35 LEU  HG       5.27
 &rst
  ixpk= 0, nxpk= 0, iat= 529, 536, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77,  &end
#
#   66 LEU   H      66 LEU  HG       5.05
 &rst
  ixpk= 0, nxpk= 0, iat=1002,1009, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,  &end
#
#   24 LEU   QD1    25 LEU  H        4.78
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 390, r1= 1.30, r2= 1.80, r3= 5.74, r4= 6.24,
 igr1= 380, 381, 382,
 &end
#
#   24 LEU   QD1    38 MET  HG2      5.46
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 591, r1= 1.30, r2= 1.80, r3= 6.56, r4= 7.06,
 igr1= 380, 381, 382,
 &end
#
#   64 LYS   HG3    65 ALA  H        4.87
 &rst
  ixpk= 0, nxpk= 0, iat= 978, 992, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37,  &end
#
#   24 LEU   H      24 LEU  QD1      5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 371,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 380, 381, 382,
 &end
#
#   24 LEU   QD1    38 MET  QE       4.09
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,
 igr1= 380, 381, 382,
 igr2= 595, 596, 597,
 &end
#
#   13 LEU   H      13 LEU  QD2      4.60
 &rst
  ixpk= 0, nxpk= 0, iat= 187,  -1, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02,
 igr2= 200, 201, 202,
 &end
#
#   59 LEU   QD1    60 HIS  HA       5.09
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 920, r1= 1.30, r2= 1.80, r3= 6.11, r4= 6.61,
 igr1= 908, 909, 910,
 &end
#
#   13 LEU   QD2    17 LYS  QG       5.14
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 200, 201, 202,
 igr2= 261, 262,
 &end
#
#   20 LEU   QD1    21 GLN  H        4.84
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 316, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31,
 igr1= 306, 307, 308,
 &end
#
#   20 LEU   QD1    21 GLN  HA       3.83
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 318, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
 igr1= 306, 307, 308,
 &end
#
#   64 LYS   H      64 LYS  HG3      4.48
 &rst
  ixpk= 0, nxpk= 0, iat= 970, 978, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98,  &end
#
#   17 LYS   HA     20 LEU  HG       5.02
 &rst
  ixpk= 0, nxpk= 0, iat= 256, 304, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52,  &end
#
#   60 HIS   HA     64 LYS  HG3      4.98
 &rst
  ixpk= 0, nxpk= 0, iat= 920, 978, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48,  &end
#
#   20 LEU   H      20 LEU  HG       4.39
 &rst
  ixpk= 0, nxpk= 0, iat= 297, 304, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89,  &end
#
#   64 LYS   H      64 LYS  HG2      4.47
 &rst
  ixpk= 0, nxpk= 0, iat= 970, 977, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97,  &end
#
#   64 LYS   HG2    65 ALA  H        5.29
 &rst
  ixpk= 0, nxpk= 0, iat= 977, 992, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79,  &end
#
#   64 LYS   HA     64 LYS  HG2      3.89
 &rst
  ixpk= 0, nxpk= 0, iat= 972, 977, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39,  &end
#
#   59 LEU   H      59 LEU  QD1      4.65
 &rst
  ixpk= 0, nxpk= 0, iat= 899,  -1, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08,
 igr2= 908, 909, 910,
 &end
#
#   59 LEU   QD1    60 HIS  HD2      4.80
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 931, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26,
 igr1= 908, 909, 910,
 &end
#
#    9 ALA   H      59 LEU  QD1      5.12
 &rst
  ixpk= 0, nxpk= 0, iat= 124,  -1, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65,
 igr2= 908, 909, 910,
 &end
#
#   59 LEU   QD1    63 GLU  HG2      5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 962, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 908, 909, 910,
 &end
#
#   25 LEU   QQD    39 SER  H        6.67
 &rst
  ixpk= 0, nxpk= 0, iat= 396, 601, r1= 1.30, r2= 1.80, r3= 6.67, r4= 7.17,  &end
#
#   20 LEU   QD1    22 TYR  HB2      5.18
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 337, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
 igr1= 306, 307, 308,
 &end
#
#   10 LEU   H      10 LEU  QD2      4.81
 &rst
  ixpk= 0, nxpk= 0, iat= 134,  -1, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28,
 igr2= 147, 148, 149,
 &end
#
#   55 LYS   HG3    55 LYS  QE       4.20
 &rst
  ixpk= 0, nxpk= 0, iat= 831,  -1, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
 igr2= 836, 837,
 &end
#
#   24 LEU   QD2    25 LEU  H        4.09
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 390, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,
 igr1= 384, 385, 386,
 &end
#
#   24 LEU   QD2    36 PHE  H        5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 548, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 384, 385, 386,
 &end
#
#   24 LEU   QD2    37 VAL  H        4.51
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 568, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,
 igr1= 384, 385, 386,
 &end
#
#   24 LEU   QD2    25 LEU  HA       4.84
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 392, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31,
 igr1= 384, 385, 386,
 &end
#
#   24 LEU   QD2    38 MET  QE       3.84
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,
 igr1= 384, 385, 386,
 igr2= 595, 596, 597,
 &end
#
#   25 LEU   H      25 LEU  QQD      6.44
 &rst
  ixpk= 0, nxpk= 0, iat= 390, 396, r1= 1.30, r2= 1.80, r3= 6.44, r4= 6.94,  &end
#
#   25 LEU   QQD    38 MET  HA        7.7
 &rst
  ixpk= 0, nxpk= 0, iat= 396, 586, r1= 1.30, r2= 1.80, r3= 7.70, r4= 8.20,  &end
#
#   35 LEU   QD1    36 PHE  H        4.43
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 548, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82,
 igr1= 538, 539, 540,
 &end
#
#   35 LEU   H      35 LEU  QD1      4.93
 &rst
  ixpk= 0, nxpk= 0, iat= 529,  -1, r1= 1.30, r2= 1.80, r3= 5.92, r4= 6.42,
 igr2= 538, 539, 540,
 &end
#
#   35 LEU   QD1    37 VAL  H        5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 568, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 538, 539, 540,
 &end
#
#    9 ALA   H      59 LEU  QD2      5.05
 &rst
  ixpk= 0, nxpk= 0, iat= 124,  -1, r1= 1.30, r2= 1.80, r3= 6.06, r4= 6.56,
 igr2= 912, 913, 914,
 &end
#
#   10 LEU   H      59 LEU  QD2      4.26
 &rst
  ixpk= 0, nxpk= 0, iat= 134,  -1, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
 igr2= 912, 913, 914,
 &end
#
#   59 LEU   QD2    60 HIS  HA       4.03
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 920, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,
 igr1= 912, 913, 914,
 &end
#
#    9 ALA   QB     59 LEU  QD2      4.04
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.83, r4= 6.33,
 igr1= 128, 129, 130,
 igr2= 912, 913, 914,
 &end
#
#    9 ALA   H      10 LEU  QD1      5.30
 &rst
  ixpk= 0, nxpk= 0, iat= 124,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr2= 143, 144, 145,
 &end
#
#   10 LEU   QD1    59 LEU  H        5.45
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 899, r1= 1.30, r2= 1.80, r3= 6.55, r4= 7.05,
 igr1= 143, 144, 145,
 &end
#
#   10 LEU   QD1    11 MET  H        5.13
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 153, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66,
 igr1= 143, 144, 145,
 &end
#
#   10 LEU   QD1    58 LYS  HD3      5.29
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 888, r1= 1.30, r2= 1.80, r3= 6.35, r4= 6.85,
 igr1= 143, 144, 145,
 &end
#
#   10 LEU   H      10 LEU  QD1      4.85
 &rst
  ixpk= 0, nxpk= 0, iat= 134,  -1, r1= 1.30, r2= 1.80, r3= 5.82, r4= 6.32,
 igr2= 143, 144, 145,
 &end
#
#   10 LEU   QD1    59 LEU  HA       4.21
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 901, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,
 igr1= 143, 144, 145,
 &end
#
#   13 LEU   QD1    66 LEU  H        4.52
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1002, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,
 igr1= 196, 197, 198,
 &end
#
#   13 LEU   QD1    17 LYS  QG       4.56
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65,
 igr1= 196, 197, 198,
 igr2= 261, 262,
 &end
#
#   13 LEU   QD1    16 ILE  H        4.42
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 235, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,
 igr1= 196, 197, 198,
 &end
#
#   35 LEU   QD2    36 PHE  H        3.56
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 548, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78,
 igr1= 542, 543, 544,
 &end
#
#   35 LEU   QD2    36 PHE  HA       4.24
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 550, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
 igr1= 542, 543, 544,
 &end
#
#   13 LEU   QD1    17 LYS  QE       4.43
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.97, r4= 6.47,
 igr1= 196, 197, 198,
 igr2= 267, 268,
 &end
#
#   13 LEU   QD1    17 LYS  HB2      3.49
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 258, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69,
 igr1= 196, 197, 198,
 &end
#
#   13 LEU   QD1    66 LEU  HA       4.49
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1004, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1= 196, 197, 198,
 &end
#
#   20 LEU   QD2    21 GLN  H        4.08
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 316, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,
 igr1= 310, 311, 312,
 &end
#
#   20 LEU   QD2    21 GLN  HA       4.07
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 318, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39,
 igr1= 310, 311, 312,
 &end
#
#   20 LEU   H      20 LEU  QD2      4.39
 &rst
  ixpk= 0, nxpk= 0, iat= 297,  -1, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77,
 igr2= 310, 311, 312,
 &end
#
#   35 LEU   QD2    36 PHE  HD       5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 542, 543, 544,
 igr2= 556, 564,
 &end
#
#   42 VAL   QG2    46 VAL  HA       5.30
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 699, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1= 653, 654, 655,
 &end
#
#   42 VAL   H      42 VAL  QG2      4.29
 &rst
  ixpk= 0, nxpk= 0, iat= 643,  -1, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,
 igr2= 653, 654, 655,
 &end
#
#   41 GLU   H      42 VAL  QG2      5.16
 &rst
  ixpk= 0, nxpk= 0, iat= 628,  -1, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70,
 igr2= 653, 654, 655,
 &end
#
#   40 VAL   QG2    42 VAL  H        5.43
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 643, r1= 1.30, r2= 1.80, r3= 6.52, r4= 7.02,
 igr1= 622, 623, 624,
 &end
#
#   37 VAL   QG2    38 MET  H        4.07
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 584, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
 igr1= 578, 579, 580,
 &end
#
#   25 LEU   H      37 VAL  QG2      4.32
 &rst
  ixpk= 0, nxpk= 0, iat= 390,  -1, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,
 igr2= 578, 579, 580,
 &end
#
#   37 VAL   H      37 VAL  QG2      4.66
 &rst
  ixpk= 0, nxpk= 0, iat= 568,  -1, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,
 igr2= 578, 579, 580,
 &end
#
#   25 LEU   QB     37 VAL  QG2      4.24
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,
 igr1= 394, 395,
 igr2= 578, 579, 580,
 &end
#
#   46 VAL   QQG    47 PHE  H        5.64
 &rst
  ixpk= 0, nxpk= 0, iat= 700, 713, r1= 1.30, r2= 1.80, r3= 5.64, r4= 6.14,  &end
#
#   40 VAL   H      46 VAL  QQG      6.31
 &rst
  ixpk= 0, nxpk= 0, iat= 612, 700, r1= 1.30, r2= 1.80, r3= 6.31, r4= 6.81,  &end
#
#   46 VAL   QQG    47 PHE  HD        7.6
 &rst
  ixpk= 0, nxpk= 0, iat= 700,  -1, r1= 1.30, r2= 1.80, r3= 8.53, r4= 9.03,
 igr2= 721, 729,
 &end
#
#   40 VAL   H      40 VAL  QG2      4.90
 &rst
  ixpk= 0, nxpk= 0, iat= 612,  -1, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
 igr2= 622, 623, 624,
 &end
#
#   40 VAL   QG2    41 GLU  H        3.94
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 628, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,
 igr1= 622, 623, 624,
 &end
#
#   25 LEU   HA     37 VAL  QG2      5.70
 &rst
  ixpk= 0, nxpk= 0, iat= 392,  -1, r1= 1.30, r2= 1.80, r3= 6.64, r4= 7.14,
 igr2= 578, 579, 580,
 &end
#
#   42 VAL   H      42 VAL  QG1      4.44
 &rst
  ixpk= 0, nxpk= 0, iat= 643,  -1, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83,
 igr2= 649, 650, 651,
 &end
#
#   35 LEU   QD1    37 VAL  QG2      3.36
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
 igr1= 538, 539, 540,
 igr2= 578, 579, 580,
 &end
#
#   44 GLY   HA3    46 VAL  QQG      6.77
 &rst
  ixpk= 0, nxpk= 0, iat= 676, 700, r1= 1.30, r2= 1.80, r3= 7.20, r4= 7.70,  &end
#
#   46 VAL   QQG    48 GLU  H         7.7
 &rst
  ixpk= 0, nxpk= 0, iat= 700, 733, r1= 1.30, r2= 1.80, r3= 7.70, r4= 8.20,  &end
#
#   41 GLU   H      46 VAL  QQG       6.7
 &rst
  ixpk= 0, nxpk= 0, iat= 628, 700, r1= 1.30, r2= 1.80, r3= 6.70, r4= 7.20,  &end
#
#   46 VAL   H      46 VAL  QQG      5.65
 &rst
  ixpk= 0, nxpk= 0, iat= 697, 700, r1= 1.30, r2= 1.80, r3= 5.65, r4= 6.15,  &end
#
#   40 VAL   QG2    46 VAL  QQG      7.25
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 700, r1= 1.30, r2= 1.80, r3= 8.71, r4= 9.21,
 igr1= 622, 623, 624,
 &end
#
#   37 VAL   QG1    51 GLY  H        4.99
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 766, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
 igr1= 574, 575, 576,
 &end
#
#   37 VAL   H      37 VAL  QG1      4.11
 &rst
  ixpk= 0, nxpk= 0, iat= 568,  -1, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
 igr2= 574, 575, 576,
 &end
#
#   70 VAL   QQG    73 PRO  HD3       6.8
 &rst
  ixpk= 0, nxpk= 0, iat=1079,1131, r1= 1.30, r2= 1.80, r3= 6.80, r4= 7.30,  &end
#
#   67 ARG   HB3    70 VAL  QQG      6.85
 &rst
  ixpk= 0, nxpk= 0, iat=1026,1079, r1= 1.30, r2= 1.80, r3= 6.85, r4= 7.35,  &end
#
#   35 LEU   QD1    37 VAL  QG1      3.45
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48,
 igr1= 538, 539, 540,
 igr2= 574, 575, 576,
 &end
#
#   16 ILE   QD1    70 VAL  QQG      6.26
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1079, r1= 1.30, r2= 1.80, r3= 7.52, r4= 8.02,
 igr1= 248, 249, 250,
 &end
#
#    9 ALA   QB     10 LEU  H        4.90
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 134, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
 igr1= 128, 129, 130,
 &end
#
#    8 ASN   HB2     9 ALA  QB       5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 114,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 128, 129, 130,
 &end
#
#    9 ALA   QB     64 LYS  H        5.49
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 970, r1= 1.30, r2= 1.80, r3= 6.59, r4= 7.09,
 igr1= 128, 129, 130,
 &end
#
#   65 ALA   H      65 ALA  QB       3.76
 &rst
  ixpk= 0, nxpk= 0, iat= 992,  -1, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02,
 igr2= 996, 997, 998,
 &end
#
#   40 VAL   QG1    47 PHE  H        4.67
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 713, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 618, 619, 620,
 &end
#
#   40 VAL   H      40 VAL  QG1      4.14
 &rst
  ixpk= 0, nxpk= 0, iat= 612,  -1, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47,
 igr2= 618, 619, 620,
 &end
#
#   40 VAL   QG1    41 GLU  H        4.72
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 628, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 618, 619, 620,
 &end
#
#   40 VAL   QG1    65 ALA  H        5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 992, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 618, 619, 620,
 &end
#
#   39 SER   HA     40 VAL  QG1      4.74
 &rst
  ixpk= 0, nxpk= 0, iat= 603,  -1, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
 igr2= 618, 619, 620,
 &end
#
#   40 VAL   QG1    48 GLU  HA       5.44
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 735, r1= 1.30, r2= 1.80, r3= 6.53, r4= 7.03,
 igr1= 618, 619, 620,
 &end
#
#   62 ALA   H      62 ALA  QB       3.69
 &rst
  ixpk= 0, nxpk= 0, iat= 945,  -1, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93,
 igr2= 949, 950, 951,
 &end
#
#   62 ALA   QB     64 LYS  H        5.48
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 970, r1= 1.30, r2= 1.80, r3= 6.58, r4= 7.08,
 igr1= 949, 950, 951,
 &end
#
#   62 ALA   QB     63 GLU  HG3      5.23
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 963, r1= 1.30, r2= 1.80, r3= 6.28, r4= 6.78,
 igr1= 949, 950, 951,
 &end
#
#   38 MET   H      57 ALA  QB       4.80
 &rst
  ixpk= 0, nxpk= 0, iat= 584,  -1, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26,
 igr2= 871, 872, 873,
 &end
#
#   51 GLY   H      57 ALA  QB       4.30
 &rst
  ixpk= 0, nxpk= 0, iat= 766,  -1, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
 igr2= 871, 872, 873,
 &end
#
#   37 VAL   QG1    57 ALA  QB       5.19
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.49, r4= 7.99,
 igr1= 574, 575, 576,
 igr2= 871, 872, 873,
 &end
#
#   57 ALA   QB     58 LYS  H        4.58
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 877, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
 igr1= 871, 872, 873,
 &end
#
#   61 ALA   H      62 ALA  QB       5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 935,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 949, 950, 951,
 &end
#
#   11 MET   H      11 MET  QE       5.44
 &rst
  ixpk= 0, nxpk= 0, iat= 153,  -1, r1= 1.30, r2= 1.80, r3= 6.53, r4= 7.03,
 igr2= 164, 165, 166,
 &end
#
#   38 MET   H      38 MET  QE       5.10
 &rst
  ixpk= 0, nxpk= 0, iat= 584,  -1, r1= 1.30, r2= 1.80, r3= 6.12, r4= 6.62,
 igr2= 595, 596, 597,
 &end
#
#   38 MET   QE     58 LYS  H        5.09
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 877, r1= 1.30, r2= 1.80, r3= 6.11, r4= 6.61,
 igr1= 595, 596, 597,
 &end
#
#   38 MET   QE     54 LYS  HG2      5.03
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 808, r1= 1.30, r2= 1.80, r3= 6.04, r4= 6.54,
 igr1= 595, 596, 597,
 &end
#
#   40 VAL   H      61 ALA  QB       4.93
 &rst
  ixpk= 0, nxpk= 0, iat= 612,  -1, r1= 1.30, r2= 1.80, r3= 5.92, r4= 6.42,
 igr2= 939, 940, 941,
 &end
#
#   49 GLY   H      61 ALA  QB       4.41
 &rst
  ixpk= 0, nxpk= 0, iat= 748,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr2= 939, 940, 941,
 &end
#
#   61 ALA   QB     62 ALA  H        3.96
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 945, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
 igr1= 939, 940, 941,
 &end
#
#   22 TYR   HD     61 ALA  QB       5.04
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.79, r4= 7.29,
 igr1= 341, 350,
 igr2= 939, 940, 941,
 &end
#
#   49 GLY   HA3    61 ALA  QB       4.19
 &rst
  ixpk= 0, nxpk= 0, iat= 751,  -1, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,
 igr2= 939, 940, 941,
 &end
#
#   38 MET   HB2    61 ALA  QB       4.17
 &rst
  ixpk= 0, nxpk= 0, iat= 588,  -1, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51,
 igr2= 939, 940, 941,
 &end
#
#   16 ILE   H      16 ILE  QG2      4.31
 &rst
  ixpk= 0, nxpk= 0, iat= 235,  -1, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68,
 igr2= 241, 242, 243,
 &end
#
#   16 ILE   QG2    17 LYS  H        4.57
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 254, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99,
 igr1= 241, 242, 243,
 &end
#
#   21 GLN   HA     23 MET  QE       5.03
 &rst
  ixpk= 0, nxpk= 0, iat= 318,  -1, r1= 1.30, r2= 1.80, r3= 6.04, r4= 6.54,
 igr2= 365, 366, 367,
 &end
#
#   21 GLN   HB2    23 MET  QE       3.13
 &rst
  ixpk= 0, nxpk= 0, iat= 320,  -1, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26,
 igr2= 365, 366, 367,
 &end
#
#   22 TYR   H      23 MET  QE       5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 333,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 365, 366, 367,
 &end
#
#   23 MET   HA     23 MET  QE       4.98
 &rst
  ixpk= 0, nxpk= 0, iat= 356,  -1, r1= 1.30, r2= 1.80, r3= 5.98, r4= 6.48,
 igr2= 365, 366, 367,
 &end
#
#   16 ILE   QD1    17 LYS  H        5.06
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 254, r1= 1.30, r2= 1.80, r3= 6.08, r4= 6.58,
 igr1= 248, 249, 250,
 &end
#
#   13 LEU   H      16 ILE  QD1      5.29
 &rst
  ixpk= 0, nxpk= 0, iat= 187,  -1, r1= 1.30, r2= 1.80, r3= 6.35, r4= 6.85,
 igr2= 248, 249, 250,
 &end
#
#   16 ILE   H      16 ILE  QD1      4.37
 &rst
  ixpk= 0, nxpk= 0, iat= 235,  -1, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75,
 igr2= 248, 249, 250,
 &end
#
#   16 ILE   QD1    66 LEU  HA       4.94
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1004, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43,
 igr1= 248, 249, 250,
 &end
#
#   22 TYR   HD     58 LYS  HB2      5.01
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 881, r1= 1.30, r2= 1.80, r3= 5.62, r4= 6.12,
 igr1= 341, 350,
 &end
#
#   22 TYR   HD     58 LYS  HB3      4.46
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 882, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51,
 igr1= 341, 350,
 &end
#
#   22 TYR   HD     58 LYS  HG2      5.11
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 884, r1= 1.30, r2= 1.80, r3= 5.74, r4= 6.24,
 igr1= 341, 350,
 &end
#
#   22 TYR   HD     58 LYS  HG2      5.19
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 884, r1= 1.30, r2= 1.80, r3= 5.83, r4= 6.33,
 igr1= 341, 350,
 &end
#
#   22 TYR   HE     58 LYS  HB3      5.11
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 882, r1= 1.30, r2= 1.80, r3= 5.74, r4= 6.24,
 igr1= 343, 348,
 &end
#
#   22 TYR   HE     58 LYS  HB2      5.43
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 881, r1= 1.30, r2= 1.80, r3= 6.09, r4= 6.59,
 igr1= 343, 348,
 &end
#
#   22 TYR   HE     58 LYS  HB3      4.58
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 882, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
 igr1= 343, 348,
 &end
#
#   22 TYR   HD     58 LYS  HB3      4.23
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 882, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25,
 igr1= 341, 350,
 &end
#
#   22 TYR   HE     58 LYS  HB3      4.30
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 882, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
 igr1= 343, 348,
 &end
#
#   22 TYR   HE     58 LYS  HB2      5.06
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 881, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18,
 igr1= 343, 348,
 &end
#
#   22 TYR   HD     58 LYS  HB2      4.77
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 881, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85,
 igr1= 341, 350,
 &end
#
#   26 SER   HA     27 GLN  H         3.9
 &rst
  ixpk= 0, nxpk= 0, iat= 411, 420, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40,  &end
#
#   24 LEU   QD1    26 SER  HA       5.74
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 411, r1= 1.30, r2= 1.80, r3= 6.89, r4= 7.39,
 igr1= 380, 381, 382,
 &end
#
#   24 LEU   QD1    26 SER  H        4.85
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 409, r1= 1.30, r2= 1.80, r3= 5.82, r4= 6.32,
 igr1= 380, 381, 382,
 &end
#
#   26 SER   H      36 PHE  HA          6
 &rst
  ixpk= 0, nxpk= 0, iat= 409, 550, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   26 SER   H      37 VAL  HB       5.16
 &rst
  ixpk= 0, nxpk= 0, iat= 409, 572, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,  &end
#
#   26 SER   HB3    37 VAL  HB       4.60
 &rst
  ixpk= 0, nxpk= 0, iat= 414, 572, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,  &end
#
#   26 SER   HB2    35 LEU  QD2      4.99
 &rst
  ixpk= 0, nxpk= 0, iat= 413,  -1, r1= 1.30, r2= 1.80, r3= 6.29, r4= 6.79,
 igr2= 542, 543, 544,
 &end
#
#   26 SER   HB3    37 VAL  QG1      4.37
 &rst
  ixpk= 0, nxpk= 0, iat= 414,  -1, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75,
 igr2= 574, 575, 576,
 &end
#
#   26 SER   HB2    37 VAL  HB       4.60
 &rst
  ixpk= 0, nxpk= 0, iat= 413, 572, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,  &end
#
#   26 SER   HA     37 VAL  H        5.46
 &rst
  ixpk= 0, nxpk= 0, iat= 411, 568, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96,  &end
#
#   25 LEU   HB3    26 SER  HA       4.46
 &rst
  ixpk= 0, nxpk= 0, iat= 395, 411, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96,  &end
#
#   25 LEU   H      26 SER  HB3      5.46
 &rst
  ixpk= 0, nxpk= 0, iat= 390, 414, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96,  &end
#
#   26 SER   HB2    37 VAL  H        5.05
 &rst
  ixpk= 0, nxpk= 0, iat= 413, 568, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,  &end
#
#   26 SER   HB2    37 VAL  QG1      4.39
 &rst
  ixpk= 0, nxpk= 0, iat= 413,  -1, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77,
 igr2= 574, 575, 576,
 &end
#
#   25 LEU   HB3    26 SER  HB3      4.87
 &rst
  ixpk= 0, nxpk= 0, iat= 395, 414, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37,  &end
#
#   26 SER   H      27 GLN  H        5.48
 &rst
  ixpk= 0, nxpk= 0, iat= 409, 420, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98,  &end
#
#   26 SER   HB3    37 VAL  H        5.08
 &rst
  ixpk= 0, nxpk= 0, iat= 414, 568, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,  &end
#
#   25 LEU   QD2    26 SER  H        4.56
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 409, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98,
 igr1= 403, 404, 405,
 &end
#
#   25 LEU   QD1    26 SER  H        4.85
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 409, r1= 1.30, r2= 1.80, r3= 5.82, r4= 6.32,
 igr1= 399, 400, 401,
 &end
#
#   25 LEU   H      26 SER  H        4.34
 &rst
  ixpk= 0, nxpk= 0, iat= 390, 409, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84,  &end
#
#   25 LEU   HB2    26 SER  H        3.91
 &rst
  ixpk= 0, nxpk= 0, iat= 394, 409, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41,  &end
#
#   25 LEU   HB3    26 SER  H        3.67
 &rst
  ixpk= 0, nxpk= 0, iat= 395, 409, r1= 1.30, r2= 1.80, r3= 3.67, r4= 4.17,  &end
#
#   26 SER   HB2    27 GLN  H        4.12
 &rst
  ixpk= 0, nxpk= 0, iat= 413, 420, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62,  &end
#
#   26 SER   HB3    27 GLN  H        4.16
# &rst
#  ixpk= 0, nxpk= 0, iat= 414, 420, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66,  &end
#
#   26 SER   HB2    27 GLN  HA       5.52
 &rst
  ixpk= 0, nxpk= 0, iat= 413, 422, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02,  &end
#
#   25 LEU   HA     26 SER  HB3      5.28
 &rst
  ixpk= 0, nxpk= 0, iat= 392, 414, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,  &end
#
#   26 SER   HB2    27 GLN  HB3      5.78
 &rst
  ixpk= 0, nxpk= 0, iat= 413, 425, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28,  &end
#
#   25 LEU   HB3    26 SER  HB2      5.42
 &rst
  ixpk= 0, nxpk= 0, iat= 395, 413, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,  &end
#
#   26 SER   HB2    37 VAL  QG2      5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 413,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 578, 579, 580,
 &end
#
#   26 SER   HA     37 VAL  QG2      5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 411,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 578, 579, 580,
 &end
#
#   26 SER   HA     37 VAL  QG1      5.24
 &rst
  ixpk= 0, nxpk= 0, iat= 411,  -1, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,
 igr2= 574, 575, 576,
 &end
#
#   26 SER   HA     27 GLN  H         3.9
 &rst
  ixpk= 0, nxpk= 0, iat= 411, 420, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40,  &end
#
#   27 GLN   H      27 GLN  HG3      5.64
 &rst
  ixpk= 0, nxpk= 0, iat= 420, 428, r1= 1.30, r2= 1.80, r3= 5.64, r4= 6.14,  &end
#
#   27 GLN   HA     36 PHE  HE       4.72
 &rst
  ixpk= 0, nxpk= 0, iat= 422,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr2= 558, 562,
 &end
#
#   24 LEU   QD1    27 GLN  HG3      5.06
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 428, r1= 1.30, r2= 1.80, r3= 6.08, r4= 6.58,
 igr1= 380, 381, 382,
 &end
#
#   27 GLN   HB2    36 PHE  HD       4.61
 &rst
  ixpk= 0, nxpk= 0, iat= 424,  -1, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67,
 igr2= 556, 564,
 &end
#
#   24 LEU   QD2    27 GLN  HB2      4.24
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 424, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
 igr1= 384, 385, 386,
 &end
#
#   27 GLN   HG2    36 PHE  HE       4.93
 &rst
  ixpk= 0, nxpk= 0, iat= 427,  -1, r1= 1.30, r2= 1.80, r3= 5.53, r4= 6.03,
 igr2= 558, 562,
 &end
#
#   27 GLN   HB2    36 PHE  HA       4.64
 &rst
  ixpk= 0, nxpk= 0, iat= 424, 550, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,  &end
#
#   27 GLN   HA     27 GLN  HG2      4.13
 &rst
  ixpk= 0, nxpk= 0, iat= 422, 427, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63,  &end
#
#   24 LEU   QD1    27 GLN  HA       4.80
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 422, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26,
 igr1= 380, 381, 382,
 &end
#
#   26 SER   H      27 GLN  H        5.48
 &rst
  ixpk= 0, nxpk= 0, iat= 409, 420, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98,  &end
#
#   27 GLN   H      27 GLN  HG2      5.14
 &rst
  ixpk= 0, nxpk= 0, iat= 420, 427, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,  &end
#
#   27 GLN   H      37 VAL  QG1      5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 420,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 574, 575, 576,
 &end
#
#   27 GLN   HB2    37 VAL  H        5.18
 &rst
  ixpk= 0, nxpk= 0, iat= 424, 568, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68,  &end
#
#   27 GLN   HA     35 LEU  H        5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 422, 529, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   27 GLN   HNE1   36 PHE  HE       4.98
 &rst
  ixpk= 0, nxpk= 0, iat= 432,  -1, r1= 1.30, r2= 1.80, r3= 5.59, r4= 6.09,
 igr2= 558, 562,
 &end
#
#   27 GLN   HNE2   36 PHE  HE       4.90
 &rst
  ixpk= 0, nxpk= 0, iat= 433,  -1, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
 igr2= 558, 562,
 &end
#
#   26 SER   HB2    27 GLN  H        4.12
 &rst
  ixpk= 0, nxpk= 0, iat= 413, 420, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62,  &end
#
#   26 SER   HB3    27 GLN  H        4.36
 &rst
  ixpk= 0, nxpk= 0, iat= 414, 420, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86,  &end
#
#   27 GLN   HA     36 PHE  HA       3.77
 &rst
  ixpk= 0, nxpk= 0, iat= 422, 550, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,  &end
#
#   27 GLN   HA     27 GLN  HNE2     4.86
 &rst
  ixpk= 0, nxpk= 0, iat= 422, 433, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,  &end
#
#   26 SER   HB2    27 GLN  HA       5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 413, 422, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   27 GLN   HNE1   35 LEU  HA       5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 432, 531, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   27 GLN   HA     36 PHE  HB3      5.45
 &rst
  ixpk= 0, nxpk= 0, iat= 422, 553, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95,  &end
#
#   27 GLN   HA     36 PHE  HB2      5.02
 &rst
  ixpk= 0, nxpk= 0, iat= 422, 552, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52,  &end
#
#   26 SER   HB2    27 GLN  HB3      6.00
 &rst
  ixpk= 0, nxpk= 0, iat= 413, 425, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   27 GLN   HG3    36 PHE  HE       4.82
 &rst
  ixpk= 0, nxpk= 0, iat= 428,  -1, r1= 1.30, r2= 1.80, r3= 5.41, r4= 5.91,
 igr2= 558, 562,
 &end
#
#   24 LEU   QD1    27 GLN  HB2      5.01
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 424, r1= 1.30, r2= 1.80, r3= 6.02, r4= 6.52,
 igr1= 380, 381, 382,
 &end
#
#   24 LEU   QD1    27 GLN  HB3      5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 425, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 380, 381, 382,
 &end
#
#   27 GLN   HA     35 LEU  HB2      5.78
 &rst
  ixpk= 0, nxpk= 0, iat= 422, 533, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28,  &end
#
#   28 THR   HB     29 GLY  H        4.00
 &rst
  ixpk= 0, nxpk= 0, iat= 441, 451, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   28 THR   QG2    29 GLY  HA3      5.17
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 454, r1= 1.30, r2= 1.80, r3= 6.21, r4= 6.71,
 igr1= 443, 444, 445,
 &end
#
#   29 GLY   HA3    30 PRO  QG       5.02
 &rst
  ixpk= 0, nxpk= 0, iat= 454,  -1, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13,
 igr2= 462, 463,
 &end
#
#   28 THR   QG2    29 GLY  H        4.52
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 451, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,
 igr1= 443, 444, 445,
 &end
#
#   28 THR   QG2    29 GLY  HA2      5.17
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 453, r1= 1.30, r2= 1.80, r3= 6.21, r4= 6.71,
 igr1= 443, 444, 445,
 &end
#
#   29 GLY   H      30 PRO  HD3      5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 451, 460, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   27 GLN   HB2    28 THR  H        4.78
 &rst
  ixpk= 0, nxpk= 0, iat= 424, 437, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28,  &end
#
#   28 THR   H      28 THR  QG2      4.40
 &rst
  ixpk= 0, nxpk= 0, iat= 437,  -1, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
 igr2= 443, 444, 445,
 &end
#
#   26 SER   HA     28 THR  QG2      4.83
 &rst
  ixpk= 0, nxpk= 0, iat= 411,  -1, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
 igr2= 443, 444, 445,
 &end
#
#   27 GLN   HG3    28 THR  H        5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 428, 437, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   27 GLN   HG2    28 THR  H        5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 427, 437, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   27 GLN   HA     28 THR  QG2      4.89
 &rst
  ixpk= 0, nxpk= 0, iat= 422,  -1, r1= 1.30, r2= 1.80, r3= 5.87, r4= 6.37,
 igr2= 443, 444, 445,
 &end
#
#   28 THR   H      34 PRO  HA       4.67
 &rst
  ixpk= 0, nxpk= 0, iat= 437, 525, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,  &end
#
#   26 SER   HB2    28 THR  QG2      4.20
 &rst
  ixpk= 0, nxpk= 0, iat= 413,  -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr2= 443, 444, 445,
 &end
#
#   26 SER   HB3    28 THR  QG2      4.20
 &rst
  ixpk= 0, nxpk= 0, iat= 414,  -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr2= 443, 444, 445,
 &end
#
#   28 THR   HB     35 LEU  H        6.00
 &rst
  ixpk= 0, nxpk= 0, iat= 441, 529, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   28 THR   H      35 LEU  H        4.32
 &rst
  ixpk= 0, nxpk= 0, iat= 437, 529, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82,  &end
#
#   28 THR   H      36 PHE  HE       5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 437,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 558, 562,
 &end
#
#   27 GLN   HB3    28 THR  H        4.78
 &rst
  ixpk= 0, nxpk= 0, iat= 425, 437, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28,  &end
#
#   27 GLN   H      28 THR  H        5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 420, 437, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   26 SER   HB3    28 THR  H        5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 414, 437, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   26 SER   HB2    28 THR  H        5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 413, 437, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   28 THR   HA     28 THR  QG2      3.47
 &rst
  ixpk= 0, nxpk= 0, iat= 439,  -1, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67,
 igr2= 443, 444, 445,
 &end
#
#   28 THR   QG2    35 LEU  HG       5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 536, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 443, 444, 445,
 &end
#
#   29 GLY   HA3    30 PRO  HD3      3.86
 &rst
  ixpk= 0, nxpk= 0, iat= 454, 460, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36,  &end
#
#   29 GLY   HA2    30 PRO  HD2      3.86
 &rst
  ixpk= 0, nxpk= 0, iat= 453, 459, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36,  &end
#
#   30 PRO   HA     31 VAL  QG2      5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 468,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 482, 483, 484,
 &end
#
#   29 GLY   HA2    30 PRO  HD3      3.86
 &rst
  ixpk= 0, nxpk= 0, iat= 453, 460, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36,  &end
#
#   29 GLY   HA3    30 PRO  HD2      3.86
 &rst
  ixpk= 0, nxpk= 0, iat= 454, 459, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36,  &end
#
#   30 PRO   HD2    33 ALA  QB       4.49
 &rst
  ixpk= 0, nxpk= 0, iat= 459,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr2= 509, 510, 511,
 &end
#
#   29 GLY   H      30 PRO  HD2      5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 451, 459, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   29 GLY   HA2    30 PRO  QG       5.02
 &rst
  ixpk= 0, nxpk= 0, iat= 453,  -1, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13,
 igr2= 462, 463,
 &end
#
#   30 PRO   HA     32 HIS  H        5.02
 &rst
  ixpk= 0, nxpk= 0, iat= 468, 488, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52,  &end
#
#   30 PRO   QG     32 HIS  H        4.77
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 488, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85,
 igr1= 462, 463,
 &end
#
#   30 PRO   HB2    33 ALA  H        5.08
 &rst
  ixpk= 0, nxpk= 0, iat= 465, 505, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,  &end
#
#   30 PRO   QG     33 ALA  H        4.39
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 505, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43,
 igr1= 462, 463,
 &end
#
#   30 PRO   HB3    33 ALA  H        5.08
 &rst
  ixpk= 0, nxpk= 0, iat= 466, 505, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,  &end
#
#   30 PRO   QG     33 ALA  QB       4.61
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.21, r4= 6.71,
 igr1= 462, 463,
 igr2= 509, 510, 511,
 &end
#
#   30 PRO   HA     31 VAL  QG1      5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 468,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 478, 479, 480,
 &end
#
#   31 VAL   H      31 VAL  QG2      4.46
 &rst
  ixpk= 0, nxpk= 0, iat= 472,  -1, r1= 1.30, r2= 1.80, r3= 5.36, r4= 5.86,
 igr2= 482, 483, 484,
 &end
#
#   30 PRO   HA     31 VAL  HA       4.61
 &rst
  ixpk= 0, nxpk= 0, iat= 468, 474, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,  &end
#
#   31 VAL   HA     31 VAL  QG1      3.59
 &rst
  ixpk= 0, nxpk= 0, iat= 474,  -1, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81,
 igr2= 478, 479, 480,
 &end
#
#   31 VAL   HA     31 VAL  QG2      3.59
 &rst
  ixpk= 0, nxpk= 0, iat= 474,  -1, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81,
 igr2= 482, 483, 484,
 &end
#
#   30 PRO   HB2    31 VAL  H        4.43
 &rst
  ixpk= 0, nxpk= 0, iat= 465, 472, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93,  &end
#
#   31 VAL   HB     32 HIS  H        4.85
 &rst
  ixpk= 0, nxpk= 0, iat= 476, 488, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,  &end
#
#   31 VAL   H      31 VAL  QG1      4.46
 &rst
  ixpk= 0, nxpk= 0, iat= 472,  -1, r1= 1.30, r2= 1.80, r3= 5.36, r4= 5.86,
 igr2= 478, 479, 480,
 &end
#
#   30 PRO   HB3    31 VAL  H        4.43
 &rst
  ixpk= 0, nxpk= 0, iat= 466, 472, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93,  &end
#
#   31 VAL   H      31 VAL  HB       3.97
 &rst
  ixpk= 0, nxpk= 0, iat= 472, 476, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47,  &end
#
#   31 VAL   H      32 HIS  H        5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 472, 488, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   32 HIS   HB3    33 ALA  H        5.10
 &rst
  ixpk= 0, nxpk= 0, iat= 493, 505, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,  &end
#
#   31 VAL   QG1    32 HIS  H        4.65
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 488, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08,
 igr1= 478, 479, 480,
 &end
#
#   31 VAL   QG2    32 HIS  H        4.65
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 488, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08,
 igr1= 482, 483, 484,
 &end
#
#   32 HIS   HD2    33 ALA  QB       4.50
 &rst
  ixpk= 0, nxpk= 0, iat= 501,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 509, 510, 511,
 &end
#
#   30 PRO   HD3    33 ALA  QB       4.49
 &rst
  ixpk= 0, nxpk= 0, iat= 460,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr2= 509, 510, 511,
 &end
#
#   32 HIS   HB2    33 ALA  QB       4.85
# &rst
#  ixpk= 0, nxpk= 0, iat= 492,  -1, r1= 1.30, r2= 1.80, r3= 5.82, r4= 6.32,
# igr2= 509, 510, 511,
# &end
#
#   32 HIS   HB3    33 ALA  QB       4.85
# &rst
#  ixpk= 0, nxpk= 0, iat= 493,  -1, r1= 1.30, r2= 1.80, r3= 5.82, r4= 6.32,
# igr2= 509, 510, 511,
# &end
#
#   33 ALA   H      33 ALA  QB       4.01
 &rst
  ixpk= 0, nxpk= 0, iat= 505,  -1, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32,
 igr2= 509, 510, 511,
 &end
#
#   33 ALA   QB     34 PRO  HA       4.92
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 525, r1= 1.30, r2= 1.80, r3= 5.91, r4= 6.41,
 igr1= 509, 510, 511,
 &end
#
#   33 ALA   HA     34 PRO  QG       4.74
 &rst
  ixpk= 0, nxpk= 0, iat= 507,  -1, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82,
 igr2= 519, 520,
 &end
#
#   33 ALA   HA     34 PRO  HD2      3.43
 &rst
  ixpk= 0, nxpk= 0, iat= 507, 516, r1= 1.30, r2= 1.80, r3= 3.43, r4= 3.93,  &end
#
#   30 PRO   QG     33 ALA  HA       5.13
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 507, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26,
 igr1= 462, 463,
 &end
#
#   33 ALA   H      34 PRO  HA       4.90
 &rst
  ixpk= 0, nxpk= 0, iat= 505, 525, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,  &end
#
#   31 VAL   HA     33 ALA  H        5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 474, 505, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   32 HIS   HB2    33 ALA  H        5.10
# &rst
#  ixpk= 0, nxpk= 0, iat= 492, 505, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,  &end
#
#   32 HIS   HA     33 ALA  QB       5.32
 &rst
  ixpk= 0, nxpk= 0, iat= 490,  -1, r1= 1.30, r2= 1.80, r3= 6.39, r4= 6.89,
 igr2= 509, 510, 511,
 &end
#
#   33 ALA   QB     34 PRO  HD2      4.49
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 516, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1= 509, 510, 511,
 &end
#
#   34 PRO   HB2    35 LEU  H        4.36
 &rst
  ixpk= 0, nxpk= 0, iat= 522, 529, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86,  &end
#
#   34 PRO   HB2    36 PHE  HE       4.49
 &rst
  ixpk= 0, nxpk= 0, iat= 522,  -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr2= 558, 562,
 &end
#
#   34 PRO   QG     36 PHE  HE       4.65
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36,
 igr1= 519, 520,
 igr2= 558, 562,
 &end
#
#   33 ALA   QB     34 PRO  HD3      4.49
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 517, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1= 509, 510, 511,
 &end
#
#   33 ALA   HA     34 PRO  HD3      3.43
 &rst
  ixpk= 0, nxpk= 0, iat= 507, 517, r1= 1.30, r2= 1.80, r3= 3.43, r4= 3.93,  &end
#
#   34 PRO   HA     35 LEU  H        3.08
 &rst
  ixpk= 0, nxpk= 0, iat= 525, 529, r1= 1.30, r2= 1.80, r3= 3.08, r4= 3.58,  &end
#
#   27 GLN   HNE2   34 PRO  HB2      5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 433, 522, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   34 PRO   HB3    36 PHE  HE       4.49
 &rst
  ixpk= 0, nxpk= 0, iat= 523,  -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr2= 558, 562,
 &end
#
#   34 PRO   QG     35 LEU  H        5.49
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 529, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66,
 igr1= 519, 520,
 &end
#
#   34 PRO   HB3    35 LEU  H        4.36
 &rst
  ixpk= 0, nxpk= 0, iat= 523, 529, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86,  &end
#
#   27 GLN   HNE1   34 PRO  HB3      5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 432, 523, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   27 GLN   HNE2   34 PRO  HB3      5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 433, 523, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   27 GLN   HNE1   34 PRO  HB2      5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 432, 522, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   27 GLN   HNE1   34 PRO  QG       5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 432,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 519, 520,
 &end
#
#   27 GLN   HNE2   34 PRO  QG       5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 433,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 519, 520,
 &end
#
#   34 PRO   QG     36 PHE  HD       5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 519, 520,
 igr2= 556, 564,
 &end
#
#   34 PRO   HA     36 PHE  HE       4.82
 &rst
  ixpk= 0, nxpk= 0, iat= 525,  -1, r1= 1.30, r2= 1.80, r3= 5.41, r4= 5.91,
 igr2= 558, 562,
 &end
#
#   33 ALA   QB     34 PRO  QG       5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 509, 510, 511,
 igr2= 519, 520,
 &end
#
#   27 GLN   QB     28 THR  H        4.15
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 437, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,
 igr1= 424, 425,
 &end
#
#   27 GLN   QG     28 THR  H        4.80
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 437, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1= 427, 428,
 &end
#
#   27 GLN   QG     28 THR  HA       5.33
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 439, r1= 1.30, r2= 1.80, r3= 5.98, r4= 6.48,
 igr1= 427, 428,
 &end
#
#   27 GLN   QG     28 THR  QG2      5.04
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.79, r4= 7.29,
 igr1= 427, 428,
 igr2= 443, 444, 445,
 &end
#
#   27 GLN   QE2    28 THR  H        5.34
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 437, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
 igr1= 432, 433,
 &end
#
#   27 GLN   QE2    34 PRO  HA       4.77
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 525, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85,
 igr1= 432, 433,
 &end
#
#   27 GLN   QE2    34 PRO  QB       3.90
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,
 igr1= 432, 433,
 igr2= 522, 523,
 &end
#
#   28 THR   H      29 GLY  QA       5.34
 &rst
  ixpk= 0, nxpk= 0, iat= 437,  -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
 igr2= 453, 454,
 &end
#
#   28 THR   H      35 LEU  QQD      7.64
 &rst
  ixpk= 0, nxpk= 0, iat= 437, 535, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,  &end
#
#   28 THR   QG2    29 GLY  QA       4.43
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.97, r4= 6.47,
 igr1= 443, 444, 445,
 igr2= 453, 454,
 &end
#
#   28 THR   QG2    35 LEU  QB       4.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1= 443, 444, 445,
 igr2= 533, 534,
 &end
#
#   28 THR   QG2    35 LEU  QQD      7.64
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 535, r1= 1.30, r2= 1.80, r3= 9.18, r4= 9.68,
 igr1= 443, 444, 445,
 &end
#
#   29 GLY   H      30 PRO  QD       4.84
 &rst
  ixpk= 0, nxpk= 0, iat= 451,  -1, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,
 igr2= 459, 460,
 &end
#
#   29 GLY   QA     30 PRO  QB       4.87
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.14, r4= 6.64,
 igr1= 453, 454,
 igr2= 465, 466,
 &end
#
#   29 GLY   QA     30 PRO  QD       3.02
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30,
 igr1= 453, 454,
 igr2= 459, 460,
 &end
#
#   29 GLY   QA     33 ALA  H        5.34
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 505, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
 igr1= 453, 454,
 &end
#
#   29 GLY   QA     33 ALA  QB       5.19
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,
 igr1= 453, 454,
 igr2= 509, 510, 511,
 &end
#
#   29 GLY   QA     35 LEU  H        5.03
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 529, r1= 1.30, r2= 1.80, r3= 5.65, r4= 6.15,
 igr1= 453, 454,
 &end
#
#   29 GLY   QA     35 LEU  QB       4.26
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,
 igr1= 453, 454,
 igr2= 533, 534,
 &end
#
#   29 GLY   QA     35 LEU  QQD      7.04
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 535, r1= 1.30, r2= 1.80, r3= 7.90, r4= 8.40,
 igr1= 453, 454,
 &end
#
#   30 PRO   HA     31 VAL  QQG      6.51
 &rst
  ixpk= 0, nxpk= 0, iat= 468, 475, r1= 1.30, r2= 1.80, r3= 6.51, r4= 7.01,  &end
#
#   30 PRO   QB     31 VAL  HA       5.81
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 474, r1= 1.30, r2= 1.80, r3= 6.52, r4= 7.02,
 igr1= 465, 466,
 &end
#
#   30 PRO   QB     31 VAL  HB       4.47
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 476, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52,
 igr1= 465, 466,
 &end
#
#   30 PRO   QB     32 HIS  H        4.25
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 488, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,
 igr1= 465, 466,
 &end
#
#   30 PRO   QB     32 HIS  HE1        4.55
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 497, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67,
 igr1= 465, 466,
 &end
#
#   30 PRO   QB     33 ALA  H        4.35
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 505, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,
 igr1= 465, 466,
 &end
#
#   30 PRO   QB     33 ALA  QB       4.24
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,
 igr1= 465, 466,
 igr2= 509, 510, 511,
 &end
#
#   30 PRO   QD     31 VAL  H        4.96
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 472, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07,
 igr1= 459, 460,
 &end
#
#   30 PRO   QD     32 HIS  H        5.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 488, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 459, 460,
 &end
#
#   30 PRO   QD     33 ALA  H        4.71
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 505, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79,
 igr1= 459, 460,
 &end
#
#   30 PRO   QD     34 PRO  HA       4.05
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 525, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05,
 igr1= 459, 460,
 &end
#
#   30 PRO   QD     35 LEU  H        5.06
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 529, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,
 igr1= 459, 460,
 &end
#
#   31 VAL   H      31 VAL  QQG      6.11
 &rst
  ixpk= 0, nxpk= 0, iat= 472, 475, r1= 1.30, r2= 1.80, r3= 6.11, r4= 6.61,  &end
#
#   31 VAL   HA     32 HIS  QB       4.92
 &rst
  ixpk= 0, nxpk= 0, iat= 474,  -1, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02,
 igr2= 492, 493,
 &end
#
#   31 VAL   QQG    32 HIS  HA       7.07
 &rst
  ixpk= 0, nxpk= 0, iat= 475, 490, r1= 1.30, r2= 1.80, r3= 7.07, r4= 7.57,  &end
#
#   32 HIS   H      34 PRO  QD       5.35
 &rst
  ixpk= 0, nxpk= 0, iat= 488,  -1, r1= 1.30, r2= 1.80, r3= 6.01, r4= 6.51,
 igr2= 516, 517,
 &end
#
#   32 HIS   QB     33 ALA  H        4.35
# &rst
#  ixpk= 0, nxpk= 0, iat=  -1, 505, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,
# igr1= 492, 493,
# &end
#
#   33 ALA   H      34 PRO  QD       4.48
 &rst
  ixpk= 0, nxpk= 0, iat= 505,  -1, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,
 igr2= 516, 517,
 &end
#
#   33 ALA   HA     34 PRO  QB       4.78
 &rst
  ixpk= 0, nxpk= 0, iat= 507,  -1, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,
 igr2= 522, 523,
 &end
#
#   33 ALA   HA     34 PRO  QD       3.00
 &rst
  ixpk= 0, nxpk= 0, iat= 507,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2= 516, 517,
 &end
#
#   33 ALA   QB     34 PRO  QD       3.63
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39,
 igr1= 509, 510, 511,
 igr2= 516, 517,
 &end
#
#   34 PRO   HA     35 LEU  QB       4.63
 &rst
  ixpk= 0, nxpk= 0, iat= 525,  -1, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,
 igr2= 533, 534,
 &end
#
#   34 PRO   QB     35 LEU  H        3.79
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 529, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75,
 igr1= 522, 523,
 &end
#
#   34 PRO   QB     36 PHE  H        5.34
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 548, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
 igr1= 522, 523,
 &end
#
#   34 PRO   QB     36 PHE  HE       3.94
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,
 igr1= 522, 523,
 igr2= 558, 562,
 &end
#
#   34 PRO   QD     36 PHE  HE       5.18
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.53, r4= 7.03,
 igr1= 516, 517,
 igr2= 558, 562,
 &end
#
#   75 RG5   H5'    75 RG5  H8        4.0
 &rst
  ixpk= 0, nxpk= 0, iat=1160,1169, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   75 RG5   H5''   75 RG5  H8        5.0
 &rst
  ixpk= 0, nxpk= 0, iat=1161,1169, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   75 RG5   H1'    75 RG5  H8        4.0
 &rst
  ixpk= 0, nxpk= 0, iat=1166,1169, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   75 RG5   H1'    76 RG   H1'       6.0
 &rst
  ixpk= 0, nxpk= 0, iat=1166,1200, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   75 RG5   H1'    76 RG   H8        5.0
 &rst
  ixpk= 0, nxpk= 0, iat=1166,1203, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   75 RG5   H2'    75 RG5  H1'       3.0
 &rst
  ixpk= 0, nxpk= 0, iat=1185,1166, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   75 RG5   H2'    75 RG5  H8        4.0
 &rst
  ixpk= 0, nxpk= 0, iat=1185,1169, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   75 RG5   H2'    76 RG   H1'       5.0
 &rst
  ixpk= 0, nxpk= 0, iat=1185,1200, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   75 RG5   H2'    76 RG   H8        2.4
 &rst
  ixpk= 0, nxpk= 0, iat=1185,1203, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90,  &end
#
#   75 RG5   H3'    76 RG   H8        3.0
 &rst
  ixpk= 0, nxpk= 0, iat=1183,1203, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   75 RG5   H4'    75 RG5  H8        5.0
 &rst
  ixpk= 0, nxpk= 0, iat=1163,1169, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   76 RG    H5'    76 RG   H1'       5.0
 &rst
  ixpk= 0, nxpk= 0, iat=1194,1200, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   76 RG    H5'    76 RG   H8        4.0
 &rst
  ixpk= 0, nxpk= 0, iat=1194,1203, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   76 RG    H5'    77 RU   H6        8.0
 &rst
  ixpk= 0, nxpk= 0, iat=1194,1237, r1= 1.30, r2= 1.80, r3= 8.00, r4= 8.50,  &end
#
#   76 RG    H5''   76 RG   H1'       6.0
 &rst
  ixpk= 0, nxpk= 0, iat=1195,1200, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   76 RG    H5''   76 RG   H8        5.0
 &rst
  ixpk= 0, nxpk= 0, iat=1195,1203, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   76 RG    H5''   77 RU   H6        8.0
 &rst
  ixpk= 0, nxpk= 0, iat=1195,1237, r1= 1.30, r2= 1.80, r3= 8.00, r4= 8.50,  &end
#
#   76 RG    H1'    76 RG   H8        4.0
 &rst
  ixpk= 0, nxpk= 0, iat=1200,1203, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   76 RG    H1'    77 RU   H6        5.0
 &rst
  ixpk= 0, nxpk= 0, iat=1200,1237, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   76 RG    H2'    76 RG   H8        4.0
 &rst
  ixpk= 0, nxpk= 0, iat=1219,1203, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   76 RG    H2'    77 RU   H6        2.4
 &rst
  ixpk= 0, nxpk= 0, iat=1219,1237, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90,  &end
#
#   76 RG    H3'    76 RG   H8        4.0
 &rst
  ixpk= 0, nxpk= 0, iat=1217,1203, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   76 RG    H3'    77 RU   H6        3.0
 &rst
  ixpk= 0, nxpk= 0, iat=1217,1237, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   76 RG    H4'    76 RG   H8        5.0
 &rst
  ixpk= 0, nxpk= 0, iat=1197,1203, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   76 RG    H4'    77 RU   H6        6.0
 &rst
  ixpk= 0, nxpk= 0, iat=1197,1237, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   76 RG    H8     77 RU   H6        5.0
 &rst
  ixpk= 0, nxpk= 0, iat=1203,1237, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   77 RU    H5'    77 RU   H1'       5.0
 &rst
  ixpk= 0, nxpk= 0, iat=1228,1234, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   77 RU    H5'    77 RU   H6        4.0
 &rst
  ixpk= 0, nxpk= 0, iat=1228,1237, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   77 RU    H5'    78 RA   H8        8.0
 &rst
  ixpk= 0, nxpk= 0, iat=1228,1267, r1= 1.30, r2= 1.80, r3= 8.00, r4= 8.50,  &end
#
#   77 RU    H5''   77 RU   H1'       6.0
 &rst
  ixpk= 0, nxpk= 0, iat=1229,1234, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   77 RU    H5''   77 RU   H6        5.0
 &rst
  ixpk= 0, nxpk= 0, iat=1229,1237, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   77 RU    H5''   78 RA   H8        8.0
 &rst
  ixpk= 0, nxpk= 0, iat=1229,1267, r1= 1.30, r2= 1.80, r3= 8.00, r4= 8.50,  &end
#
#   77 RU    H1'   106 RA   H2        6.0
 &rst
  ixpk= 0, nxpk= 0, iat=1234,2166, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   77 RU    H1'   108 RC3  H1'       8.0
 &rst
  ixpk= 0, nxpk= 0, iat=1234,2218, r1= 1.30, r2= 1.80, r3= 8.00, r4= 8.50,  &end
#
#   77 RU    H1'    77 RU   H6        4.0
 &rst
  ixpk= 0, nxpk= 0, iat=1234,1237, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   77 RU    H1'    78 RA   H1'       6.0
 &rst
  ixpk= 0, nxpk= 0, iat=1234,1264, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   77 RU    H1'    78 RA   H8        5.0
 &rst
  ixpk= 0, nxpk= 0, iat=1234,1267, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   77 RU    H2'    77 RU   H6        4.0
 &rst
  ixpk= 0, nxpk= 0, iat=1249,1237, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   77 RU    H2'    78 RA   H8        2.4
 &rst
  ixpk= 0, nxpk= 0, iat=1249,1267, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90,  &end
#
#   77 RU    H3'    77 RU   H6        4.0
 &rst
  ixpk= 0, nxpk= 0, iat=1247,1237, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   77 RU    H3'    78 RA   H8        3.0
 &rst
  ixpk= 0, nxpk= 0, iat=1247,1267, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   77 RU    H4'    77 RU   H6        5.0
 &rst
  ixpk= 0, nxpk= 0, iat=1231,1237, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   77 RU    H4'    78 RA   H8        6.0
 &rst
  ixpk= 0, nxpk= 0, iat=1231,1267, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   77 RU    H5     76 RG   H1'       5.0
 &rst
  ixpk= 0, nxpk= 0, iat=1239,1200, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   77 RU    H5     77 RU   H1'       6.0
 &rst
  ixpk= 0, nxpk= 0, iat=1239,1234, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   77 RU    H5     78 RA   H8        5.0
 &rst
  ixpk= 0, nxpk= 0, iat=1239,1267, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   77 RU    H6     78 RA   H8        5.0
 &rst
  ixpk= 0, nxpk= 0, iat=1237,1267, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   78 RA    H5'    78 RA   H8        4.0
 &rst
  ixpk= 0, nxpk= 0, iat=1258,1267, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   78 RA    H5''   78 RA   H1'       6.0
 &rst
  ixpk= 0, nxpk= 0, iat=1259,1264, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   78 RA    H5''   78 RA   H8        5.0
 &rst
  ixpk= 0, nxpk= 0, iat=1259,1267, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   78 RA    H1'   106 RA   H2        5.0
 &rst
  ixpk= 0, nxpk= 0, iat=1264,2166, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   78 RA    H1'    78 RA   H2        5.0
 &rst
  ixpk= 0, nxpk= 0, iat=1264,1276, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   78 RA    H1'    78 RA   H8        4.0
 &rst
  ixpk= 0, nxpk= 0, iat=1264,1267, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   78 RA    H2    106 RA   H2        5.0
 &rst
  ixpk= 0, nxpk= 0, iat=1276,2166, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   78 RA    H2'    78 RA   H8        4.0
 &rst
  ixpk= 0, nxpk= 0, iat=1282,1267, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   78 RA    H4'    78 RA   H8        5.0
 &rst
  ixpk= 0, nxpk= 0, iat=1261,1267, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   79 RG    H1'    80 RU   H6        5.0
 &rst
  ixpk= 0, nxpk= 0, iat=1297,1334, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   79 RG    H2'    80 RU   H6        2.4
 &rst
  ixpk= 0, nxpk= 0, iat=1316,1334, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90,  &end
#
#   79 RG    H3'    80 RU   H6        3.0
 &rst
  ixpk= 0, nxpk= 0, iat=1314,1334, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   79 RG    H1'   106 RA   H1'       8.0
 &rst
  ixpk= 0, nxpk= 0, iat=1297,2154, r1= 1.30, r2= 1.80, r3= 8.00, r4= 8.50,  &end
#
#   79 RG    H8     78 RA   H8        5.0
 &rst
  ixpk= 0, nxpk= 0, iat=1300,1267, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   79 RG    H8     79 RG   H1'       4.0
 &rst
  ixpk= 0, nxpk= 0, iat=1300,1297, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   79 RG    H8     79 RG   H2'       4.0
 &rst
  ixpk= 0, nxpk= 0, iat=1300,1316, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   79 RG    H8     79 RG   H4'       5.0
 &rst
  ixpk= 0, nxpk= 0, iat=1300,1294, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   79 RG    H8     78 RA   H2'       2.4
 &rst
  ixpk= 0, nxpk= 0, iat=1300,1282, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90,  &end
#
#   79 RG    H8     78 RA   H3'       3.0
 &rst
  ixpk= 0, nxpk= 0, iat=1300,1280, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   79 RG    H8     78 RA   H1'       5.0
 &rst
  ixpk= 0, nxpk= 0, iat=1300,1264, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  104 RG    H1'   105 RU   H6        5.0
 &rst
  ixpk= 0, nxpk= 0, iat=2090,2127, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  104 RG    H2'   105 RU   H6        2.4
 &rst
  ixpk= 0, nxpk= 0, iat=2109,2127, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90,  &end
#
#  104 RG    H3'   105 RU   H6        3.0
 &rst
  ixpk= 0, nxpk= 0, iat=2107,2127, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  104 RG    H4'   105 RU   H6        6.0
 &rst
  ixpk= 0, nxpk= 0, iat=2087,2127, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#  104 RG    H1'   104 RG   H8       3.00
 &rst
  ixpk= 0, nxpk= 0, iat=2090,2093, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  104 RG    H2'   104 RG   H8       5.00
 &rst
  ixpk= 0, nxpk= 0, iat=2109,2093, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  104 RG    H4'   104 RG   H8       6.00
 &rst
  ixpk= 0, nxpk= 0, iat=2087,2093, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#  105 RU    H1'   104 RG   H8       4.50
 &rst
  ixpk= 0, nxpk= 0, iat=2124,2093, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  105 RU    H4'   104 RG   H8       6.00
 &rst
  ixpk= 0, nxpk= 0, iat=2121,2093, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#  105 RU    Q5'   104 RG   H8       5.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2093, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=2118,2119,
 &end
#
#   79 RG    H1    104 RG   H1       3.00
 &rst
  ixpk= 0, nxpk= 0, iat=1306,2099, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  105 RU    H5'   105 RU   H1'       5.0
 &rst
  ixpk= 0, nxpk= 0, iat=2118,2124, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  105 RU    H5'   105 RU   H6        4.0
 &rst
  ixpk= 0, nxpk= 0, iat=2118,2127, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  105 RU    H5''  105 RU   H1'       6.0
 &rst
  ixpk= 0, nxpk= 0, iat=2119,2124, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#  105 RU    H5''  105 RU   H6        5.0
 &rst
  ixpk= 0, nxpk= 0, iat=2119,2127, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  105 RU    H1'   105 RU   H6        4.0
 &rst
  ixpk= 0, nxpk= 0, iat=2124,2127, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  105 RU    H1'   106 RA   H1'       6.0
 &rst
  ixpk= 0, nxpk= 0, iat=2124,2154, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#  105 RU    H1'   106 RA   H8        5.0
 &rst
  ixpk= 0, nxpk= 0, iat=2124,2157, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  105 RU    H1'    78 RA   H2        6.0
 &rst
  ixpk= 0, nxpk= 0, iat=2124,1276, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#  105 RU    H2'   105 RU   H6        4.0
 &rst
  ixpk= 0, nxpk= 0, iat=2139,2127, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  105 RU    H2'   106 RA   H8        2.4
 &rst
  ixpk= 0, nxpk= 0, iat=2139,2157, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90,  &end
#
#  105 RU    H3'   105 RU   H6        4.0
 &rst
  ixpk= 0, nxpk= 0, iat=2137,2127, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  105 RU    H3'   106 RA   H8        3.0
 &rst
  ixpk= 0, nxpk= 0, iat=2137,2157, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  105 RU    H4'   105 RU   H6        5.0
 &rst
  ixpk= 0, nxpk= 0, iat=2121,2127, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  105 RU    H4'   106 RA   H8        6.0
 &rst
  ixpk= 0, nxpk= 0, iat=2121,2157, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#  105 RU    H6    106 RA   H8        5.0
 &rst
  ixpk= 0, nxpk= 0, iat=2127,2157, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  106 RA    H5'   106 RA   H1'       5.0
 &rst
  ixpk= 0, nxpk= 0, iat=2148,2154, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  106 RA    H5'   106 RA   H8        4.0
 &rst
  ixpk= 0, nxpk= 0, iat=2148,2157, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  106 RA    H5''  106 RA   H1'       6.0
 &rst
  ixpk= 0, nxpk= 0, iat=2149,2154, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#  106 RA    H5''  106 RA   H8        5.0
 &rst
  ixpk= 0, nxpk= 0, iat=2149,2157, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  106 RA    H1'   105 RU   H6        8.0
 &rst
  ixpk= 0, nxpk= 0, iat=2154,2127, r1= 1.30, r2= 1.80, r3= 8.00, r4= 8.50,  &end
#
#  106 RA    H1'   106 RA   H2        5.0
 &rst
  ixpk= 0, nxpk= 0, iat=2154,2166, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  106 RA    H1'   106 RA   H8        4.0
 &rst
  ixpk= 0, nxpk= 0, iat=2154,2157, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  106 RA    H1'   107 RC   H6        5.0
 &rst
  ixpk= 0, nxpk= 0, iat=2154,2190, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  106 RA    H1'    78 RA   H2        5.0
 &rst
  ixpk= 0, nxpk= 0, iat=2154,1276, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  106 RA    H2     78 RA   H8        6.0
 &rst
  ixpk= 0, nxpk= 0, iat=2166,1267, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#  106 RA    H2'   106 RA   H8        4.0
 &rst
  ixpk= 0, nxpk= 0, iat=2172,2157, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  106 RA    H2'   107 RC   H6        2.4
 &rst
  ixpk= 0, nxpk= 0, iat=2172,2190, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90,  &end
#
#  106 RA    H4'   106 RA   H8        5.0
 &rst
  ixpk= 0, nxpk= 0, iat=2151,2157, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  106 RA    H4'   107 RC   H6        6.0
 &rst
  ixpk= 0, nxpk= 0, iat=2151,2190, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#  107 RC    H5'   107 RC   H1'       5.0
 &rst
  ixpk= 0, nxpk= 0, iat=2181,2187, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  107 RC    H5'   107 RC   H6        4.0
 &rst
  ixpk= 0, nxpk= 0, iat=2181,2190, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  107 RC    H5''  107 RC   H1'       6.0
 &rst
  ixpk= 0, nxpk= 0, iat=2182,2187, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#  107 RC    H5''  107 RC   H6        5.0
 &rst
  ixpk= 0, nxpk= 0, iat=2182,2190, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  107 RC    H1'   106 RA   H1'       6.0
 &rst
  ixpk= 0, nxpk= 0, iat=2187,2154, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#  107 RC    H1'   106 RA   H2        4.0
 &rst
  ixpk= 0, nxpk= 0, iat=2187,2166, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  107 RC    H1'   107 RC   H6        4.0
 &rst
  ixpk= 0, nxpk= 0, iat=2187,2190, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  107 RC    H1'   108 RC3  H6        5.0
 &rst
  ixpk= 0, nxpk= 0, iat=2187,2221, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  107 RC    H1'    77 RU   H1'       6.0
 &rst
  ixpk= 0, nxpk= 0, iat=2187,1234, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#  107 RC    H1'    78 RA   H1'       8.0
 &rst
  ixpk= 0, nxpk= 0, iat=2187,1264, r1= 1.30, r2= 1.80, r3= 8.00, r4= 8.50,  &end
#
#  107 RC    H2'   107 RC   H6        4.0
 &rst
  ixpk= 0, nxpk= 0, iat=2203,2190, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  107 RC    H2'   108 RC3  H6        2.4
 &rst
  ixpk= 0, nxpk= 0, iat=2203,2221, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90,  &end
#
#  107 RC    H3'   107 RC   H6        4.0
 &rst
  ixpk= 0, nxpk= 0, iat=2201,2190, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  107 RC    H3'   108 RC3  H6        3.0
 &rst
  ixpk= 0, nxpk= 0, iat=2201,2221, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  107 RC    H4'   107 RC   H6        5.0
 &rst
  ixpk= 0, nxpk= 0, iat=2184,2190, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  107 RC    H4'   108 RC3  H6        6.0
 &rst
  ixpk= 0, nxpk= 0, iat=2184,2221, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#  107 RC    H5    106 RA   H1'       5.0
 &rst
  ixpk= 0, nxpk= 0, iat=2192,2154, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  107 RC    H5    106 RA   H2        5.0
 &rst
  ixpk= 0, nxpk= 0, iat=2192,2166, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  107 RC    H5    106 RA   H8        4.0
 &rst
  ixpk= 0, nxpk= 0, iat=2192,2157, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  107 RC    H5    108 RC3  H5        4.0
 &rst
  ixpk= 0, nxpk= 0, iat=2192,2223, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  107 RC    H6    106 RA   H8        5.0
 &rst
  ixpk= 0, nxpk= 0, iat=2190,2157, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  108 RC3   H5'   108 RC3  H1'       5.0
 &rst
  ixpk= 0, nxpk= 0, iat=2212,2218, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  108 RC3   H5'   108 RC3  H6        4.0
 &rst
  ixpk= 0, nxpk= 0, iat=2212,2221, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  108 RC3   H5''  108 RC3  H1'       6.0
 &rst
  ixpk= 0, nxpk= 0, iat=2213,2218, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#  108 RC3   H5''  108 RC3  H6        5.0
 &rst
  ixpk= 0, nxpk= 0, iat=2213,2221, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  108 RC3   H1'    76 RG   H1'       8.0
 &rst
  ixpk= 0, nxpk= 0, iat=2218,1200, r1= 1.30, r2= 1.80, r3= 8.00, r4= 8.50,  &end
#
#  108 RC3   H1'   108 RC3  H6        4.0
 &rst
  ixpk= 0, nxpk= 0, iat=2218,2221, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  108 RC3   H2'   108 RC3  H6        4.0
 &rst
  ixpk= 0, nxpk= 0, iat=2234,2221, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  108 RC3   H3'   108 RC3  H6        4.0
 &rst
  ixpk= 0, nxpk= 0, iat=2232,2221, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  108 RC3   H4'   108 RC3  H6        5.0
 &rst
  ixpk= 0, nxpk= 0, iat=2215,2221, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  108 RC3   H5    107 RC   H6        4.0
 &rst
  ixpk= 0, nxpk= 0, iat=2223,2190, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  108 RC3   H5    108 RC3  H1'       6.0
 &rst
  ixpk= 0, nxpk= 0, iat=2223,2218, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   82 RU    H5'    82 RU   H1'       5.0
 &rst
  ixpk= 0, nxpk= 0, iat=1388,1394, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   82 RU    H5'    82 RU   H6        4.0
 &rst
  ixpk= 0, nxpk= 0, iat=1388,1397, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   82 RU    H5'    83 RA   H8        8.0
 &rst
  ixpk= 0, nxpk= 0, iat=1388,1427, r1= 1.30, r2= 1.80, r3= 8.00, r4= 8.50,  &end
#
#   82 RU    H5''   82 RU   H1'       6.0
 &rst
  ixpk= 0, nxpk= 0, iat=1389,1394, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   82 RU    H5''   82 RU   H6        5.0
 &rst
  ixpk= 0, nxpk= 0, iat=1389,1397, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   82 RU    H5''   83 RA   H8        8.0
 &rst
  ixpk= 0, nxpk= 0, iat=1389,1427, r1= 1.30, r2= 1.80, r3= 8.00, r4= 8.50,  &end
#
#   82 RU    H1'   101 RA   H2        6.0
 &rst
  ixpk= 0, nxpk= 0, iat=1394,2006, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   82 RU    H1'    82 RU   H6        4.0
 &rst
  ixpk= 0, nxpk= 0, iat=1394,1397, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   82 RU    H1'    83 RA   H1'       6.0
 &rst
  ixpk= 0, nxpk= 0, iat=1394,1424, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   82 RU    H1'    83 RA   H8        5.0
 &rst
  ixpk= 0, nxpk= 0, iat=1394,1427, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   82 RU    H2'    82 RU   H6        4.0
 &rst
  ixpk= 0, nxpk= 0, iat=1409,1397, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   82 RU    H2'    83 RA   H8        2.4
 &rst
  ixpk= 0, nxpk= 0, iat=1409,1427, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90,  &end
#
#   82 RU    H3'    82 RU   H6        4.0
 &rst
  ixpk= 0, nxpk= 0, iat=1407,1397, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   82 RU    H3'    83 RA   H8        3.0
 &rst
  ixpk= 0, nxpk= 0, iat=1407,1427, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   82 RU    H4'    82 RU   H6        5.0
 &rst
  ixpk= 0, nxpk= 0, iat=1391,1397, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   82 RU    H4'    83 RA   H8        6.0
 &rst
  ixpk= 0, nxpk= 0, iat=1391,1427, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   82 RU    H5     82 RU   H1'       6.0
 &rst
  ixpk= 0, nxpk= 0, iat=1399,1394, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   82 RU    H5     83 RA   H8        5.0
 &rst
  ixpk= 0, nxpk= 0, iat=1399,1427, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   82 RU    H6     83 RA   H8        5.0
 &rst
  ixpk= 0, nxpk= 0, iat=1397,1427, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   83 RA    H5'    83 RA   H8        4.0
 &rst
  ixpk= 0, nxpk= 0, iat=1418,1427, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   83 RA    H5''   83 RA   H1'       6.0
 &rst
  ixpk= 0, nxpk= 0, iat=1419,1424, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   83 RA    H5''   83 RA   H8        5.0
 &rst
  ixpk= 0, nxpk= 0, iat=1419,1427, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   83 RA    H1'   101 RA   H2        5.0
 &rst
  ixpk= 0, nxpk= 0, iat=1424,2006, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   83 RA    H1'    83 RA   H2        5.0
 &rst
  ixpk= 0, nxpk= 0, iat=1424,1436, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   83 RA    H1'    83 RA   H8        4.0
 &rst
  ixpk= 0, nxpk= 0, iat=1424,1427, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   83 RA    H1'    84 RA   H8        5.0
 &rst
  ixpk= 0, nxpk= 0, iat=1424,1460, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   83 RA    H2    101 RA   H2        5.0
 &rst
  ixpk= 0, nxpk= 0, iat=1436,2006, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   83 RA    H2     84 RA   H2        5.0
 &rst
  ixpk= 0, nxpk= 0, iat=1436,1469, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   83 RA    H2     84 RA   H8        5.0
 &rst
  ixpk= 0, nxpk= 0, iat=1436,1460, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   83 RA    H2'    83 RA   H8        4.0
 &rst
  ixpk= 0, nxpk= 0, iat=1442,1427, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   83 RA    H2'    84 RA   H8        2.4
 &rst
  ixpk= 0, nxpk= 0, iat=1442,1460, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90,  &end
#
#   83 RA    H4'    83 RA   H8        5.0
 &rst
  ixpk= 0, nxpk= 0, iat=1421,1427, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   83 RA    H4'    84 RA   H8        6.0
 &rst
  ixpk= 0, nxpk= 0, iat=1421,1460, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   84 RA    H5'    84 RA   H1'       5.0
 &rst
  ixpk= 0, nxpk= 0, iat=1451,1457, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   84 RA    H5'    84 RA   H8        4.0
 &rst
  ixpk= 0, nxpk= 0, iat=1451,1460, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   84 RA    H5''   84 RA   H8        5.0
 &rst
  ixpk= 0, nxpk= 0, iat=1452,1460, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   84 RA    H1'   101 RA   H1'       8.0
 &rst
  ixpk= 0, nxpk= 0, iat=1457,1994, r1= 1.30, r2= 1.80, r3= 8.00, r4= 8.50,  &end
#
#   84 RA    H1'    83 RA   H2        4.0
 &rst
  ixpk= 0, nxpk= 0, iat=1457,1436, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   84 RA    H1'    84 RA   H2        5.0
 &rst
  ixpk= 0, nxpk= 0, iat=1457,1469, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   84 RA    H1'    84 RA   H8        4.0
 &rst
  ixpk= 0, nxpk= 0, iat=1457,1460, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   84 RA    H1'    85 RC   H6        5.0
 &rst
  ixpk= 0, nxpk= 0, iat=1457,1493, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   84 RA    H2    100 RU   H6        6.0
 &rst
  ixpk= 0, nxpk= 0, iat=1469,1967, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   84 RA    H2'    84 RA   H8        4.0
 &rst
  ixpk= 0, nxpk= 0, iat=1475,1460, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   84 RA    H2'    85 RC   H6        2.4
 &rst
  ixpk= 0, nxpk= 0, iat=1475,1493, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90,  &end
#
#   84 RA    H3'    84 RA   H8        4.0
 &rst
  ixpk= 0, nxpk= 0, iat=1473,1460, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   84 RA    H3'    85 RC   H6        3.0
 &rst
  ixpk= 0, nxpk= 0, iat=1473,1493, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   84 RA    H4'    84 RA   H8        5.0
 &rst
  ixpk= 0, nxpk= 0, iat=1454,1460, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   84 RA    H4'    85 RC   H6        6.0
 &rst
  ixpk= 0, nxpk= 0, iat=1454,1493, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   84 RA    H8     83 RA   H8        5.0
 &rst
  ixpk= 0, nxpk= 0, iat=1460,1427, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   85 RC    H5'    85 RC   H1'       5.0
 &rst
  ixpk= 0, nxpk= 0, iat=1484,1490, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   85 RC    H5'    85 RC   H6        4.0
 &rst
  ixpk= 0, nxpk= 0, iat=1484,1493, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   85 RC    H5''   85 RC   H1'       6.0
 &rst
  ixpk= 0, nxpk= 0, iat=1485,1490, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   85 RC    H5''   85 RC   H6        5.0
 &rst
  ixpk= 0, nxpk= 0, iat=1485,1493, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   85 RC    H1'   100 RU   H1'       8.0
 &rst
  ixpk= 0, nxpk= 0, iat=1490,1964, r1= 1.30, r2= 1.80, r3= 8.00, r4= 8.50,  &end
#
#   85 RC    H1'    84 RA   H1'       6.0
 &rst
  ixpk= 0, nxpk= 0, iat=1490,1457, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   85 RC    H1'    84 RA   H2        4.0
 &rst
  ixpk= 0, nxpk= 0, iat=1490,1469, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   85 RC    H1'    85 RC   H6        4.0
 &rst
  ixpk= 0, nxpk= 0, iat=1490,1493, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   85 RC    H1'    86 RA   H1'       6.0
 &rst
  ixpk= 0, nxpk= 0, iat=1490,1521, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   85 RC    H1'    86 RA   H8        5.0
 &rst
  ixpk= 0, nxpk= 0, iat=1490,1524, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   85 RC    H2'    85 RC   H6        4.0
 &rst
  ixpk= 0, nxpk= 0, iat=1506,1493, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   85 RC    H2'    86 RA   H8        2.4
 &rst
  ixpk= 0, nxpk= 0, iat=1506,1524, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90,  &end
#
#   85 RC    H3'    85 RC   H6        4.0
 &rst
  ixpk= 0, nxpk= 0, iat=1504,1493, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   85 RC    H3'    86 RA   H8        3.0
 &rst
  ixpk= 0, nxpk= 0, iat=1504,1524, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   85 RC    H4'    85 RC   H6        5.0
 &rst
  ixpk= 0, nxpk= 0, iat=1487,1493, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   85 RC    H4'    86 RA   H8        6.0
 &rst
  ixpk= 0, nxpk= 0, iat=1487,1524, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   85 RC    H5     84 RA   H1'       5.0
 &rst
  ixpk= 0, nxpk= 0, iat=1495,1457, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   85 RC    H5     84 RA   H8        4.0
 &rst
  ixpk= 0, nxpk= 0, iat=1495,1460, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   85 RC    H5     86 RA   H8        6.0
 &rst
  ixpk= 0, nxpk= 0, iat=1495,1524, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   85 RC    H6     84 RA   H2        5.0
 &rst
  ixpk= 0, nxpk= 0, iat=1493,1469, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   85 RC    H6     84 RA   H8        5.0
 &rst
  ixpk= 0, nxpk= 0, iat=1493,1460, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   85 RC    H6     86 RA   H8        5.0
 &rst
  ixpk= 0, nxpk= 0, iat=1493,1524, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   86 RA    H5'    86 RA   H1'       5.0
 &rst
  ixpk= 0, nxpk= 0, iat=1515,1521, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   86 RA    H5'    86 RA   H8        4.0
 &rst
  ixpk= 0, nxpk= 0, iat=1515,1524, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   86 RA    H5''   86 RA   H1'       6.0
 &rst
  ixpk= 0, nxpk= 0, iat=1516,1521, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   86 RA    H5''   86 RA   H8        5.0
 &rst
  ixpk= 0, nxpk= 0, iat=1516,1524, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   86 RA    H1'    86 RA   H2        5.0
 &rst
  ixpk= 0, nxpk= 0, iat=1521,1533, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   86 RA    H1'    86 RA   H8        4.0
 &rst
  ixpk= 0, nxpk= 0, iat=1521,1524, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   86 RA    H1'    87 RA   H8        5.0
 &rst
  ixpk= 0, nxpk= 0, iat=1521,1557, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   86 RA    H2     98 RG   H8        5.0
 &rst
  ixpk= 0, nxpk= 0, iat=1533,1903, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   86 RA    H2     87 RA   H8        6.0
 &rst
  ixpk= 0, nxpk= 0, iat=1533,1557, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   86 RA    H2'    86 RA   H8        4.0
 &rst
  ixpk= 0, nxpk= 0, iat=1539,1524, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   86 RA    H2'    87 RA   H8        2.4
 &rst
  ixpk= 0, nxpk= 0, iat=1539,1557, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90,  &end
#
#   86 RA    H3'    86 RA   H8        4.0
 &rst
  ixpk= 0, nxpk= 0, iat=1537,1524, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   86 RA    H3'    87 RA   H8        3.0
 &rst
  ixpk= 0, nxpk= 0, iat=1537,1557, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   86 RA    H4'    86 RA   H8        5.0
 &rst
  ixpk= 0, nxpk= 0, iat=1518,1524, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   86 RA    H4'    87 RA   H8        6.0
 &rst
  ixpk= 0, nxpk= 0, iat=1518,1557, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   87 RA    H5'    87 RA   H1'       5.0
 &rst
  ixpk= 0, nxpk= 0, iat=1548,1554, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   87 RA    H5'    87 RA   H8        4.0
 &rst
  ixpk= 0, nxpk= 0, iat=1548,1557, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   87 RA    H5''   87 RA   H1'       6.0
 &rst
  ixpk= 0, nxpk= 0, iat=1549,1554, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   87 RA    H5''   87 RA   H8        5.0
 &rst
  ixpk= 0, nxpk= 0, iat=1549,1557, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   87 RA    H1'    86 RA   H2        4.0
 &rst
  ixpk= 0, nxpk= 0, iat=1554,1533, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   87 RA    H1'    87 RA   H2        5.0
 &rst
  ixpk= 0, nxpk= 0, iat=1554,1566, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   87 RA    H1'    87 RA   H8        4.0
 &rst
  ixpk= 0, nxpk= 0, iat=1554,1557, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   87 RA    H1'    88 RU   H6        5.0
 &rst
  ixpk= 0, nxpk= 0, iat=1554,1590, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   87 RA    H2'    88 RU   H6        2.4
 &rst
  ixpk= 0, nxpk= 0, iat=1572,1590, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90,  &end
#
#   87 RA    H4'    87 RA   H8        5.0
 &rst
  ixpk= 0, nxpk= 0, iat=1551,1557, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   87 RA    H4'    88 RU   H6        6.0
 &rst
  ixpk= 0, nxpk= 0, iat=1551,1590, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   87 RA    H8     86 RA   H8        5.0
 &rst
  ixpk= 0, nxpk= 0, iat=1557,1524, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   88 RU    H5'    88 RU   H1'       5.0
 &rst
  ixpk= 0, nxpk= 0, iat=1581,1587, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   88 RU    H5'    88 RU   H6        4.0
 &rst
  ixpk= 0, nxpk= 0, iat=1581,1590, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   88 RU    H5''   88 RU   H1'       6.0
 &rst
  ixpk= 0, nxpk= 0, iat=1582,1587, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   88 RU    H5''   88 RU   H6        5.0
 &rst
  ixpk= 0, nxpk= 0, iat=1582,1590, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   88 RU    H1'    89 RA   H1'       6.0
 &rst
  ixpk= 0, nxpk= 0, iat=1587,1617, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   88 RU    H1'    89 RA   H8        5.0
 &rst
  ixpk= 0, nxpk= 0, iat=1587,1620, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   88 RU    H1'    97 RU   H1'       8.0
 &rst
  ixpk= 0, nxpk= 0, iat=1587,1870, r1= 1.30, r2= 1.80, r3= 8.00, r4= 8.50,  &end
#
#   88 RU    H1'    87 RA   H1'       6.0
 &rst
  ixpk= 0, nxpk= 0, iat=1587,1554, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   88 RU    H1'    87 RA   H2        4.0
 &rst
  ixpk= 0, nxpk= 0, iat=1587,1566, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   88 RU    H1'    88 RU   H6        4.0
 &rst
  ixpk= 0, nxpk= 0, iat=1587,1590, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   88 RU    H2'    89 RA   H8        2.4
 &rst
  ixpk= 0, nxpk= 0, iat=1602,1620, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90,  &end
#
#   88 RU    H2'    88 RU   H6        4.0
 &rst
  ixpk= 0, nxpk= 0, iat=1602,1590, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   88 RU    H3'    89 RA   H8        4.0
 &rst
  ixpk= 0, nxpk= 0, iat=1600,1620, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   88 RU    H3'    88 RU   H6        4.0
 &rst
  ixpk= 0, nxpk= 0, iat=1600,1590, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   88 RU    H4'    89 RA   H8        6.0
 &rst
  ixpk= 0, nxpk= 0, iat=1584,1620, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   88 RU    H4'    88 RU   H6        5.0
 &rst
  ixpk= 0, nxpk= 0, iat=1584,1590, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   88 RU    H5     89 RA   H8        5.0
 &rst
  ixpk= 0, nxpk= 0, iat=1592,1620, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   88 RU    H5     87 RA   H1'       5.0
 &rst
  ixpk= 0, nxpk= 0, iat=1592,1554, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   88 RU    H5     87 RA   H2        6.0
 &rst
  ixpk= 0, nxpk= 0, iat=1592,1566, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   88 RU    H5     87 RA   H8        4.0
 &rst
  ixpk= 0, nxpk= 0, iat=1592,1557, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   88 RU    H6     89 RA   H8        5.0
 &rst
  ixpk= 0, nxpk= 0, iat=1590,1620, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   88 RU    H6     87 RA   H2        5.0
 &rst
  ixpk= 0, nxpk= 0, iat=1590,1566, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   88 RU    H6     87 RA   H8        5.0
 &rst
  ixpk= 0, nxpk= 0, iat=1590,1557, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   89 RA    H5'    89 RA   H1'       5.0
 &rst
  ixpk= 0, nxpk= 0, iat=1611,1617, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   89 RA    H5'    89 RA   H8        4.0
 &rst
  ixpk= 0, nxpk= 0, iat=1611,1620, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   89 RA    H5''   89 RA   H1'       6.0
 &rst
  ixpk= 0, nxpk= 0, iat=1612,1617, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   89 RA    H5''   89 RA   H8        5.0
 &rst
  ixpk= 0, nxpk= 0, iat=1612,1620, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   89 RA    H1'    89 RA   H2        5.0
 &rst
  ixpk= 0, nxpk= 0, iat=1617,1629, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   89 RA    H1'    89 RA   H8        4.0
 &rst
  ixpk= 0, nxpk= 0, iat=1617,1620, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   89 RA    H2     95 RG   H8        6.0
 &rst
  ixpk= 0, nxpk= 0, iat=1629,1809, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   89 RA    H2'    89 RA   H8        4.0
 &rst
  ixpk= 0, nxpk= 0, iat=1635,1620, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   89 RA    H3'    89 RA   H8        4.0
 &rst
  ixpk= 0, nxpk= 0, iat=1633,1620, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   89 RA    H4'    89 RA   H8        5.0
 &rst
  ixpk= 0, nxpk= 0, iat=1614,1620, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   94 RU    H5'    94 RU   H1'       5.0
 &rst
  ixpk= 0, nxpk= 0, iat=1770,1776, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   94 RU    H5'    94 RU   H6        4.0
 &rst
  ixpk= 0, nxpk= 0, iat=1770,1779, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   94 RU    H5''   94 RU   H1'       6.0
 &rst
  ixpk= 0, nxpk= 0, iat=1771,1776, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   94 RU    H5''   94 RU   H6        5.0
 &rst
  ixpk= 0, nxpk= 0, iat=1771,1779, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   94 RU    H1'    89 RA   H2        6.0
 &rst
  ixpk= 0, nxpk= 0, iat=1776,1629, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   94 RU    H1'    94 RU   H6        4.0
 &rst
  ixpk= 0, nxpk= 0, iat=1776,1779, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   94 RU    H1'    95 RG   H1'       6.0
 &rst
  ixpk= 0, nxpk= 0, iat=1776,1806, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   94 RU    H1'    95 RG   H8        5.0
 &rst
  ixpk= 0, nxpk= 0, iat=1776,1809, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   94 RU    H2'    94 RU   H6        4.0
 &rst
  ixpk= 0, nxpk= 0, iat=1791,1779, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   94 RU    H2'    95 RG   H8        2.4
 &rst
  ixpk= 0, nxpk= 0, iat=1791,1809, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90,  &end
#
#   94 RU    H3'    94 RU   H6        4.0
 &rst
  ixpk= 0, nxpk= 0, iat=1789,1779, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   94 RU    H3'    95 RG   H8        3.0
 &rst
  ixpk= 0, nxpk= 0, iat=1789,1809, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   94 RU    H4'    94 RU   H6        5.0
 &rst
  ixpk= 0, nxpk= 0, iat=1773,1779, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   94 RU    H4'    95 RG   H8        6.0
 &rst
  ixpk= 0, nxpk= 0, iat=1773,1809, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   94 RU    H5     94 RU   H1'       6.0
 &rst
  ixpk= 0, nxpk= 0, iat=1781,1776, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   94 RU    H6     95 RG   H8        5.0
 &rst
  ixpk= 0, nxpk= 0, iat=1779,1809, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   95 RG    H5'    95 RG   H1'       6.0
 &rst
  ixpk= 0, nxpk= 0, iat=1800,1806, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   95 RG    H5'    95 RG   H8        4.0
 &rst
  ixpk= 0, nxpk= 0, iat=1800,1809, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   95 RG    H5'    96 RU   H6        8.0
 &rst
  ixpk= 0, nxpk= 0, iat=1800,1843, r1= 1.30, r2= 1.80, r3= 8.00, r4= 8.50,  &end
#
#   95 RG    H5''   95 RG   H1'       6.0
 &rst
  ixpk= 0, nxpk= 0, iat=1801,1806, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   95 RG    H5''   95 RG   H8        5.0
 &rst
  ixpk= 0, nxpk= 0, iat=1801,1809, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   95 RG    H5''   96 RU   H6        8.0
 &rst
  ixpk= 0, nxpk= 0, iat=1801,1843, r1= 1.30, r2= 1.80, r3= 8.00, r4= 8.50,  &end
#
#   95 RG    H1'    89 RA   H2        5.0
 &rst
  ixpk= 0, nxpk= 0, iat=1806,1629, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   95 RG    H1'    95 RG   H8        4.0
 &rst
  ixpk= 0, nxpk= 0, iat=1806,1809, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   95 RG    H1'    96 RU   H6        5.0
 &rst
  ixpk= 0, nxpk= 0, iat=1806,1843, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   95 RG    H2'    95 RG   H8        4.0
 &rst
  ixpk= 0, nxpk= 0, iat=1825,1809, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   95 RG    H2'    96 RU   H6        2.4
 &rst
  ixpk= 0, nxpk= 0, iat=1825,1843, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90,  &end
#
#   95 RG    H3'    95 RG   H8        4.0
 &rst
  ixpk= 0, nxpk= 0, iat=1823,1809, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   95 RG    H3'    96 RU   H6        3.0
 &rst
  ixpk= 0, nxpk= 0, iat=1823,1843, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   95 RG    H4'    95 RG   H8        5.0
 &rst
  ixpk= 0, nxpk= 0, iat=1803,1809, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   95 RG    H4'    96 RU   H6        6.0
 &rst
  ixpk= 0, nxpk= 0, iat=1803,1843, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   96 RU    H5'    96 RU   H1'       5.0
 &rst
  ixpk= 0, nxpk= 0, iat=1834,1840, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   96 RU    H5'    96 RU   H6        4.0
 &rst
  ixpk= 0, nxpk= 0, iat=1834,1843, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   96 RU    H5''   96 RU   H1'       6.0
 &rst
  ixpk= 0, nxpk= 0, iat=1835,1840, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   96 RU    H5''   96 RU   H6        5.0
 &rst
  ixpk= 0, nxpk= 0, iat=1835,1843, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   96 RU    H1'    89 RA   H1'       6.0
 &rst
  ixpk= 0, nxpk= 0, iat=1840,1617, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   96 RU    H1'    95 RG   H1'       6.0
 &rst
  ixpk= 0, nxpk= 0, iat=1840,1806, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   96 RU    H1'    96 RU   H6        4.0
 &rst
  ixpk= 0, nxpk= 0, iat=1840,1843, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   96 RU    H1'    97 RU   H1'       6.0
 &rst
  ixpk= 0, nxpk= 0, iat=1840,1870, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   96 RU    H1'    97 RU   H6        5.0
 &rst
  ixpk= 0, nxpk= 0, iat=1840,1873, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   96 RU    H1'    87 RA   H2        6.0
 &rst
  ixpk= 0, nxpk= 0, iat=1840,1566, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   96 RU    H2'    96 RU   H6        4.0
 &rst
  ixpk= 0, nxpk= 0, iat=1855,1843, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   96 RU    H2'    97 RU   H6        2.4
 &rst
  ixpk= 0, nxpk= 0, iat=1855,1873, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90,  &end
#
#   96 RU    H3'    96 RU   H6        4.0
 &rst
  ixpk= 0, nxpk= 0, iat=1853,1843, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   96 RU    H3'    97 RU   H6        3.0
 &rst
  ixpk= 0, nxpk= 0, iat=1853,1873, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   96 RU    H4'    96 RU   H6        5.0
 &rst
  ixpk= 0, nxpk= 0, iat=1837,1843, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   96 RU    H4'    97 RU   H6        6.0
 &rst
  ixpk= 0, nxpk= 0, iat=1837,1873, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   96 RU    H5     95 RG   H1'       5.0
 &rst
  ixpk= 0, nxpk= 0, iat=1845,1806, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   96 RU    H5     95 RG   H8        4.0
 &rst
  ixpk= 0, nxpk= 0, iat=1845,1809, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   96 RU    H5     96 RU   H1'       6.0
 &rst
  ixpk= 0, nxpk= 0, iat=1845,1840, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   96 RU    H5     97 RU   H5        4.0
 &rst
  ixpk= 0, nxpk= 0, iat=1845,1875, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   96 RU    H5     97 RU   H6        6.0
 &rst
  ixpk= 0, nxpk= 0, iat=1845,1873, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   96 RU    H6     97 RU   H6        5.0
 &rst
  ixpk= 0, nxpk= 0, iat=1843,1873, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   97 RU    H5'    97 RU   H1'       5.0
 &rst
  ixpk= 0, nxpk= 0, iat=1864,1870, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   97 RU    H5'    97 RU   H6        4.0
 &rst
  ixpk= 0, nxpk= 0, iat=1864,1873, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   97 RU    H5''   97 RU   H1'       6.0
 &rst
  ixpk= 0, nxpk= 0, iat=1865,1870, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   97 RU    H5''   97 RU   H6        5.0
 &rst
  ixpk= 0, nxpk= 0, iat=1865,1873, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   97 RU    H1'    97 RU   H6        4.0
 &rst
  ixpk= 0, nxpk= 0, iat=1870,1873, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   97 RU    H1'    98 RG   H8        5.0
 &rst
  ixpk= 0, nxpk= 0, iat=1870,1903, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   97 RU    H1'    86 RA   H2        6.0
 &rst
  ixpk= 0, nxpk= 0, iat=1870,1533, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   97 RU    H1'    87 RA   H2        5.0
 &rst
  ixpk= 0, nxpk= 0, iat=1870,1566, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   97 RU    H2'    97 RU   H6        4.0
 &rst
  ixpk= 0, nxpk= 0, iat=1885,1873, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   97 RU    H2'    98 RG   H8        2.4
 &rst
  ixpk= 0, nxpk= 0, iat=1885,1903, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90,  &end
#
#   97 RU    H3'    97 RU   H6        4.0
 &rst
  ixpk= 0, nxpk= 0, iat=1883,1873, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   97 RU    H3'    98 RG   H8        3.0
 &rst
  ixpk= 0, nxpk= 0, iat=1883,1903, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   97 RU    H4'    97 RU   H6        5.0
 &rst
  ixpk= 0, nxpk= 0, iat=1867,1873, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   97 RU    H4'    98 RG   H8        6.0
 &rst
  ixpk= 0, nxpk= 0, iat=1867,1903, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   97 RU    H5     98 RG   H8        6.0
 &rst
  ixpk= 0, nxpk= 0, iat=1875,1903, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   98 RG    H5'    98 RG   H1'       5.0
 &rst
  ixpk= 0, nxpk= 0, iat=1894,1900, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   98 RG    H5'    98 RG   H8        4.0
 &rst
  ixpk= 0, nxpk= 0, iat=1894,1903, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   98 RG    H5''   98 RG   H1'       6.0
 &rst
  ixpk= 0, nxpk= 0, iat=1895,1900, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   98 RG    H5''   98 RG   H8        5.0
 &rst
  ixpk= 0, nxpk= 0, iat=1895,1903, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   98 RG    H1'    98 RG   H8        4.0
 &rst
  ixpk= 0, nxpk= 0, iat=1900,1903, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   98 RG    H1'    99 RU   H5        5.0
 &rst
  ixpk= 0, nxpk= 0, iat=1900,1939, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   98 RG    H1'    99 RU   H6        5.0
 &rst
  ixpk= 0, nxpk= 0, iat=1900,1937, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   98 RG    H1'    86 RA   H2        5.0
 &rst
  ixpk= 0, nxpk= 0, iat=1900,1533, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   98 RG    H2'    98 RG   H8        4.0
 &rst
  ixpk= 0, nxpk= 0, iat=1919,1903, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   98 RG    H2'    99 RU   H6        2.4
 &rst
  ixpk= 0, nxpk= 0, iat=1919,1937, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90,  &end
#
#   98 RG    H3'    98 RG   H8        4.0
 &rst
  ixpk= 0, nxpk= 0, iat=1917,1903, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   98 RG    H3'    99 RU   H6        3.0
 &rst
  ixpk= 0, nxpk= 0, iat=1917,1937, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   98 RG    H4'    98 RG   H8        5.0
 &rst
  ixpk= 0, nxpk= 0, iat=1897,1903, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   98 RG    H4'    99 RU   H6        6.0
 &rst
  ixpk= 0, nxpk= 0, iat=1897,1937, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   98 RG    H8     97 RU   H6        5.0
 &rst
  ixpk= 0, nxpk= 0, iat=1903,1873, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   99 RU    H5'    99 RU   H1'       5.0
 &rst
  ixpk= 0, nxpk= 0, iat=1928,1934, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   99 RU    H5'    99 RU   H6        4.0
 &rst
  ixpk= 0, nxpk= 0, iat=1928,1937, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   99 RU    H5''   99 RU   H1'       6.0
 &rst
  ixpk= 0, nxpk= 0, iat=1929,1934, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   99 RU    H5''   99 RU   H6        5.0
 &rst
  ixpk= 0, nxpk= 0, iat=1929,1937, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   99 RU    H1'    98 RG   H1'       6.0
 &rst
  ixpk= 0, nxpk= 0, iat=1934,1900, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   99 RU    H1'    99 RU   H6        4.0
 &rst
  ixpk= 0, nxpk= 0, iat=1934,1937, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   99 RU    H1'   100 RU   H6        5.0
 &rst
  ixpk= 0, nxpk= 0, iat=1934,1967, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   99 RU    H1'    84 RA   H2        6.0
 &rst
  ixpk= 0, nxpk= 0, iat=1934,1469, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   99 RU    H1'    86 RA   H1'       8.0
 &rst
  ixpk= 0, nxpk= 0, iat=1934,1521, r1= 1.30, r2= 1.80, r3= 8.00, r4= 8.50,  &end
#
#   99 RU    H2'    99 RU   H6        4.0
 &rst
  ixpk= 0, nxpk= 0, iat=1949,1937, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   99 RU    H2'   100 RU   H6        2.4
 &rst
  ixpk= 0, nxpk= 0, iat=1949,1967, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90,  &end
#
#   99 RU    H3'    99 RU   H6        4.0
 &rst
  ixpk= 0, nxpk= 0, iat=1947,1937, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   99 RU    H3'   100 RU   H6        3.0
 &rst
  ixpk= 0, nxpk= 0, iat=1947,1967, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   99 RU    H4'    99 RU   H6        5.0
 &rst
  ixpk= 0, nxpk= 0, iat=1931,1937, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   99 RU    H4'   100 RU   H6        6.0
 &rst
  ixpk= 0, nxpk= 0, iat=1931,1967, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   99 RU    H5     98 RG   H8        4.0
 &rst
  ixpk= 0, nxpk= 0, iat=1939,1903, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   99 RU    H5     99 RU   H1'       6.0
 &rst
  ixpk= 0, nxpk= 0, iat=1939,1934, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   99 RU    H5    100 RU   H5        4.0
 &rst
  ixpk= 0, nxpk= 0, iat=1939,1969, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   99 RU    H5    100 RU   H6        6.0
 &rst
  ixpk= 0, nxpk= 0, iat=1939,1967, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   99 RU    H6    100 RU   H6        5.0
 &rst
  ixpk= 0, nxpk= 0, iat=1937,1967, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  100 RU    H5'   100 RU   H1'       5.0
 &rst
  ixpk= 0, nxpk= 0, iat=1958,1964, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  100 RU    H5'   100 RU   H6        4.0
 &rst
  ixpk= 0, nxpk= 0, iat=1958,1967, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  100 RU    H5''  100 RU   H1'       6.0
 &rst
  ixpk= 0, nxpk= 0, iat=1959,1964, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#  100 RU    H5''  100 RU   H6        5.0
 &rst
  ixpk= 0, nxpk= 0, iat=1959,1967, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  100 RU    H1'   100 RU   H6        4.0
 &rst
  ixpk= 0, nxpk= 0, iat=1964,1967, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  100 RU    H1'   101 RA   H1'       6.0
 &rst
  ixpk= 0, nxpk= 0, iat=1964,1994, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#  100 RU    H1'   101 RA   H8        5.0
 &rst
  ixpk= 0, nxpk= 0, iat=1964,1997, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  100 RU    H1'    83 RA   H2        6.0
 &rst
  ixpk= 0, nxpk= 0, iat=1964,1436, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#  100 RU    H1'    84 RA   H2        5.0
 &rst
  ixpk= 0, nxpk= 0, iat=1964,1469, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  100 RU    H2'   100 RU   H6        4.0
 &rst
  ixpk= 0, nxpk= 0, iat=1979,1967, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  100 RU    H2'   101 RA   H8        2.4
 &rst
  ixpk= 0, nxpk= 0, iat=1979,1997, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90,  &end
#
#  100 RU    H3'   100 RU   H6        4.0
 &rst
  ixpk= 0, nxpk= 0, iat=1977,1967, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  100 RU    H3'   101 RA   H8        3.0
 &rst
  ixpk= 0, nxpk= 0, iat=1977,1997, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  100 RU    H4'   100 RU   H6        5.0
 &rst
  ixpk= 0, nxpk= 0, iat=1961,1967, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  100 RU    H4'   101 RA   H8        6.0
 &rst
  ixpk= 0, nxpk= 0, iat=1961,1997, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#  100 RU    H5     99 RU   H6        5.0
 &rst
  ixpk= 0, nxpk= 0, iat=1969,1937, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  100 RU    H6    101 RA   H8        5.0
 &rst
  ixpk= 0, nxpk= 0, iat=1967,1997, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  101 RA    H5'   101 RA   H1'       5.0
 &rst
  ixpk= 0, nxpk= 0, iat=1988,1994, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  101 RA    H5'   101 RA   H8        4.0
 &rst
  ixpk= 0, nxpk= 0, iat=1988,1997, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  101 RA    H5''  101 RA   H1'       6.0
 &rst
  ixpk= 0, nxpk= 0, iat=1989,1994, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#  101 RA    H5''  101 RA   H8        5.0
 &rst
  ixpk= 0, nxpk= 0, iat=1989,1997, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  101 RA    H1'   100 RU   H6        8.0
 &rst
  ixpk= 0, nxpk= 0, iat=1994,1967, r1= 1.30, r2= 1.80, r3= 8.00, r4= 8.50,  &end
#
#  101 RA    H1'   101 RA   H2        5.0
 &rst
  ixpk= 0, nxpk= 0, iat=1994,2006, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  101 RA    H1'   101 RA   H8        4.0
 &rst
  ixpk= 0, nxpk= 0, iat=1994,1997, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  101 RA    H1'    83 RA   H2        5.0
 &rst
  ixpk= 0, nxpk= 0, iat=1994,1436, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  101 RA    H2     83 RA   H8        6.0
 &rst
  ixpk= 0, nxpk= 0, iat=2006,1427, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#  101 RA    H2'   101 RA   H8        4.0
 &rst
  ixpk= 0, nxpk= 0, iat=2012,1997, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  101 RA    H4'   101 RA   H8        5.0
 &rst
  ixpk= 0, nxpk= 0, iat=1991,1997, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   80 RU    H5'    80 RU   H1'       5.0
 &rst
  ixpk= 0, nxpk= 0, iat=1325,1331, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   80 RU    H5'    80 RU   H6        4.0
 &rst
  ixpk= 0, nxpk= 0, iat=1325,1334, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   80 RU    H5'    81 RA   H8        8.0
 &rst
  ixpk= 0, nxpk= 0, iat=1325,1364, r1= 1.30, r2= 1.80, r3= 8.00, r4= 8.50,  &end
#
#   80 RU    H5''   80 RU   H1'       6.0
 &rst
  ixpk= 0, nxpk= 0, iat=1326,1331, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   80 RU    H5''   80 RU   H6        5.0
 &rst
  ixpk= 0, nxpk= 0, iat=1326,1334, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   80 RU    H5''   81 RA   H8        8.0
 &rst
  ixpk= 0, nxpk= 0, iat=1326,1364, r1= 1.30, r2= 1.80, r3= 8.00, r4= 8.50,  &end
#
#   80 RU    H1'   103 RA   H2        6.0
 &rst
  ixpk= 0, nxpk= 0, iat=1331,2069, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   80 RU    H1'    80 RU   H6        4.0
 &rst
  ixpk= 0, nxpk= 0, iat=1331,1334, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   80 RU    H1'    81 RA   H1'       6.0
 &rst
  ixpk= 0, nxpk= 0, iat=1331,1361, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   80 RU    H1'    81 RA   H8        5.0
 &rst
  ixpk= 0, nxpk= 0, iat=1331,1364, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   80 RU    H2'    80 RU   H6        4.0
 &rst
  ixpk= 0, nxpk= 0, iat=1346,1334, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   80 RU    H2'    81 RA   H8        2.4
 &rst
  ixpk= 0, nxpk= 0, iat=1346,1364, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90,  &end
#
#   80 RU    H3'    80 RU   H6        4.0
 &rst
  ixpk= 0, nxpk= 0, iat=1344,1334, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   80 RU    H3'    81 RA   H8        3.0
 &rst
  ixpk= 0, nxpk= 0, iat=1344,1364, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   80 RU    H4'    80 RU   H6        5.0
 &rst
  ixpk= 0, nxpk= 0, iat=1328,1334, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   80 RU    H4'    81 RA   H8        6.0
 &rst
  ixpk= 0, nxpk= 0, iat=1328,1364, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   80 RU    H5     80 RU   H1'       6.0
 &rst
  ixpk= 0, nxpk= 0, iat=1336,1331, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   80 RU    H5     81 RA   H8        5.0
 &rst
  ixpk= 0, nxpk= 0, iat=1336,1364, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   80 RU    H6     81 RA   H8        5.0
 &rst
  ixpk= 0, nxpk= 0, iat=1334,1364, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   80 RU    H5'    81 RA   H8        8.0
 &rst
  ixpk= 0, nxpk= 0, iat=1325,1364, r1= 1.30, r2= 1.80, r3= 8.00, r4= 8.50,  &end
#
#   80 RU    H5''   81 RA   H8        8.0
 &rst
  ixpk= 0, nxpk= 0, iat=1326,1364, r1= 1.30, r2= 1.80, r3= 8.00, r4= 8.50,  &end
#
#   80 RU    H1'    81 RA   H1'       6.0
 &rst
  ixpk= 0, nxpk= 0, iat=1331,1361, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   80 RU    H1'    81 RA   H8        5.0
 &rst
  ixpk= 0, nxpk= 0, iat=1331,1364, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   80 RU    H2'    81 RA   H8        2.4
 &rst
  ixpk= 0, nxpk= 0, iat=1346,1364, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90,  &end
#
#   80 RU    H3'    81 RA   H8        3.0
 &rst
  ixpk= 0, nxpk= 0, iat=1344,1364, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   80 RU    H4'    81 RA   H8        6.0
 &rst
  ixpk= 0, nxpk= 0, iat=1328,1364, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   80 RU    H5     81 RA   H8        5.0
 &rst
  ixpk= 0, nxpk= 0, iat=1336,1364, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   80 RU    H6     81 RA   H8        5.0
 &rst
  ixpk= 0, nxpk= 0, iat=1334,1364, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   81 RA    H5'    81 RA   H8        4.0
 &rst
  ixpk= 0, nxpk= 0, iat=1355,1364, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   81 RA    H5''   81 RA   H1'       6.0
 &rst
  ixpk= 0, nxpk= 0, iat=1356,1361, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   81 RA    H5''   81 RA   H8        5.0
 &rst
  ixpk= 0, nxpk= 0, iat=1356,1364, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   81 RA    H1'   103 RA   H2        5.0
 &rst
  ixpk= 0, nxpk= 0, iat=1361,2069, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   81 RA    H1'    81 RA   H2        5.0
 &rst
  ixpk= 0, nxpk= 0, iat=1361,1373, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   81 RA    H1'    81 RA   H8        4.0
 &rst
  ixpk= 0, nxpk= 0, iat=1361,1364, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   81 RA    H1'    82 RU   H6        5.0
 &rst
  ixpk= 0, nxpk= 0, iat=1361,1397, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   81 RA    H1'    82 RU   H5        6.0
 &rst
  ixpk= 0, nxpk= 0, iat=1361,1399, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   81 RA    H2    103 RA   H2        5.0
 &rst
  ixpk= 0, nxpk= 0, iat=1373,2069, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   81 RA    H2     82 RU   H6        6.0
 &rst
  ixpk= 0, nxpk= 0, iat=1373,1397, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   81 RA    H2'    81 RA   H8        4.0
 &rst
  ixpk= 0, nxpk= 0, iat=1379,1364, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   81 RA    H2'    82 RU   H6        2.4
 &rst
  ixpk= 0, nxpk= 0, iat=1379,1397, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90,  &end
#
#   81 RA    H2'    82 RU   H5        3.4
 &rst
  ixpk= 0, nxpk= 0, iat=1379,1399, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90,  &end
#
#   81 RA    H4'    81 RA   H8        5.0
 &rst
  ixpk= 0, nxpk= 0, iat=1358,1364, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   81 RA    H4'    82 RU   H6        6.0
 &rst
  ixpk= 0, nxpk= 0, iat=1358,1397, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   82 RU    H1'    81 RA   H2        4.0
 &rst
  ixpk= 0, nxpk= 0, iat=1394,1373, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   82 RU    H6     81 RA   H8        5.0
 &rst
  ixpk= 0, nxpk= 0, iat=1397,1364, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   82 RU    H5     81 RA   H8        6.0
 &rst
  ixpk= 0, nxpk= 0, iat=1399,1364, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#  102 RU    H1'    81 RA   H2        6.0
 &rst
  ixpk= 0, nxpk= 0, iat=2027,1373, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#  103 RA    H1'    81 RA   H2        5.0
 &rst
  ixpk= 0, nxpk= 0, iat=2057,1373, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  103 RA    H2     81 RA   H8        6.0
 &rst
  ixpk= 0, nxpk= 0, iat=2069,1364, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#  101 RA    H1'   102 RU   H6        5.0
 &rst
  ixpk= 0, nxpk= 0, iat=1994,2030, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  101 RA    H2'   102 RU   H6        2.4
 &rst
  ixpk= 0, nxpk= 0, iat=2012,2030, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90,  &end
#
#  101 RA    H3'   102 RU   H6        3.0
 &rst
  ixpk= 0, nxpk= 0, iat=2010,2030, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  101 RA    H4'   102 RU   H6        6.0
 &rst
  ixpk= 0, nxpk= 0, iat=1991,2030, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#  101 RA    H8    102 RU   H5        4.0
 &rst
  ixpk= 0, nxpk= 0, iat=1997,2032, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  101 RA    H8    102 RU   H6        6.0
 &rst
  ixpk= 0, nxpk= 0, iat=1997,2030, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#  102 RU    H5'   102 RU   H1'       5.0
 &rst
  ixpk= 0, nxpk= 0, iat=2021,2027, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  102 RU    H5'   102 RU   H6        4.0
 &rst
  ixpk= 0, nxpk= 0, iat=2021,2030, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  102 RU    H5''  102 RU   H1'       6.0
 &rst
  ixpk= 0, nxpk= 0, iat=2022,2027, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#  102 RU    H5''  102 RU   H6        5.0
 &rst
  ixpk= 0, nxpk= 0, iat=2022,2030, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  102 RU    H1'   102 RU   H6        4.0
 &rst
  ixpk= 0, nxpk= 0, iat=2027,2030, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  102 RU    H1'   103 RA   H1'       6.0
 &rst
  ixpk= 0, nxpk= 0, iat=2027,2057, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#  102 RU    H1'   103 RA   H8        5.0
 &rst
  ixpk= 0, nxpk= 0, iat=2027,2060, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  102 RU    H1'    81 RA   H2        6.0
 &rst
  ixpk= 0, nxpk= 0, iat=2027,1373, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#  102 RU    H2'   102 RU   H6        4.0
 &rst
  ixpk= 0, nxpk= 0, iat=2042,2030, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  102 RU    H2'   103 RA   H8        2.4
 &rst
  ixpk= 0, nxpk= 0, iat=2042,2060, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90,  &end
#
#  102 RU    H3'   102 RU   H6        4.0
 &rst
  ixpk= 0, nxpk= 0, iat=2040,2030, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  102 RU    H3'   103 RA   H8        3.0
 &rst
  ixpk= 0, nxpk= 0, iat=2040,2060, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  102 RU    H4'   102 RU   H6        5.0
 &rst
  ixpk= 0, nxpk= 0, iat=2024,2030, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  102 RU    H4'   103 RA   H8        6.0
 &rst
  ixpk= 0, nxpk= 0, iat=2024,2060, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#  102 RU    H5    101 RA   H8        5.0
 &rst
  ixpk= 0, nxpk= 0, iat=2032,1997, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  102 RU    H6    103 RA   H8        5.0
 &rst
  ixpk= 0, nxpk= 0, iat=2030,2060, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  103 RA    H1'   102 RU   H6        8.0
 &rst
  ixpk= 0, nxpk= 0, iat=2057,2030, r1= 1.30, r2= 1.80, r3= 8.00, r4= 8.50,  &end
#
#   80 RU    H1'   103 RA   H2        6.0
 &rst
  ixpk= 0, nxpk= 0, iat=1331,2069, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   81 RA    H1'   103 RA   H2        5.0
 &rst
  ixpk= 0, nxpk= 0, iat=1361,2069, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   81 RA    H2    103 RA   H2        5.0
 &rst
  ixpk= 0, nxpk= 0, iat=1373,2069, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   82 RU    H1'   103 RA   H1'       8.0
 &rst
  ixpk= 0, nxpk= 0, iat=1394,2057, r1= 1.30, r2= 1.80, r3= 8.00, r4= 8.50,  &end
#
#  102 RU    H1'   103 RA   H1'       6.0
 &rst
  ixpk= 0, nxpk= 0, iat=2027,2057, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#  102 RU    H1'   103 RA   H8        5.0
 &rst
  ixpk= 0, nxpk= 0, iat=2027,2060, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  102 RU    H2'   103 RA   H8        2.4
 &rst
  ixpk= 0, nxpk= 0, iat=2042,2060, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90,  &end
#
#  102 RU    H3'   103 RA   H8        3.0
 &rst
  ixpk= 0, nxpk= 0, iat=2040,2060, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  102 RU    H4'   103 RA   H8        6.0
 &rst
  ixpk= 0, nxpk= 0, iat=2024,2060, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#  102 RU    H6    103 RA   H8        5.0
 &rst
  ixpk= 0, nxpk= 0, iat=2030,2060, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  103 RA    H5'   103 RA   H1'       5.0
 &rst
  ixpk= 0, nxpk= 0, iat=2051,2057, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  103 RA    H5'   103 RA   H8        4.0
 &rst
  ixpk= 0, nxpk= 0, iat=2051,2060, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  103 RA    H5''  103 RA   H1'       6.0
 &rst
  ixpk= 0, nxpk= 0, iat=2052,2057, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#  103 RA    H5''  103 RA   H8        5.0
 &rst
  ixpk= 0, nxpk= 0, iat=2052,2060, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  103 RA    H1'   102 RU   H6        8.0
 &rst
  ixpk= 0, nxpk= 0, iat=2057,2030, r1= 1.30, r2= 1.80, r3= 8.00, r4= 8.50,  &end
#
#  103 RA    H1'   103 RA   H2        5.0
 &rst
  ixpk= 0, nxpk= 0, iat=2057,2069, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  103 RA    H1'   103 RA   H8        4.0
 &rst
  ixpk= 0, nxpk= 0, iat=2057,2060, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  103 RA    H1'    81 RA   H2        5.0
 &rst
  ixpk= 0, nxpk= 0, iat=2057,1373, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  103 RA    H2     81 RA   H8        6.0
 &rst
  ixpk= 0, nxpk= 0, iat=2069,1364, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#  103 RA    H2'   103 RA   H8        4.0
 &rst
  ixpk= 0, nxpk= 0, iat=2075,2060, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  103 RA    H4'   103 RA   H8        5.0
 &rst
  ixpk= 0, nxpk= 0, iat=2054,2060, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   89 RA    H8     90 RU   H6       4.50
 &rst
  ixpk= 0, nxpk= 0, iat=1620,1653, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   89 RA    H1'    90 RU   H6       6.50
 &rst
  ixpk= 0, nxpk= 0, iat=1617,1653, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,  &end
#
#   89 RA    H2'    90 RU   H6       3.00
 &rst
  ixpk= 0, nxpk= 0, iat=1635,1653, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   89 RA    H3'    90 RU   H6       4.00
 &rst
  ixpk= 0, nxpk= 0, iat=1633,1653, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   89 RA    H2'    90 RU   H5       5.00
 &rst
  ixpk= 0, nxpk= 0, iat=1635,1655, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   89 RA    H3'    90 RU   H5       5.00
 &rst
  ixpk= 0, nxpk= 0, iat=1633,1655, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   89 RA    H8     90 RU   H5       4.50
 &rst
  ixpk= 0, nxpk= 0, iat=1620,1655, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   89 RA    H2'    90 RU   H5'      5.00
 &rst
  ixpk= 0, nxpk= 0, iat=1635,1644, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   89 RA    H2'    90 RU   H5''     5.00
 &rst
  ixpk= 0, nxpk= 0, iat=1635,1645, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   90 RU    H1'    90 RU   H6       4.00
 &rst
  ixpk= 0, nxpk= 0, iat=1650,1653, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   90 RU    H2'    90 RU   H6       4.00
 &rst
  ixpk= 0, nxpk= 0, iat=1665,1653, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   90 RU    H3'    90 RU   H6       4.00
 &rst
  ixpk= 0, nxpk= 0, iat=1663,1653, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   90 RU    H4'    90 RU   H6       5.00
 &rst
  ixpk= 0, nxpk= 0, iat=1647,1653, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   90 RU    H5'    90 RU   H6       6.00
 &rst
  ixpk= 0, nxpk= 0, iat=1644,1653, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   90 RU    H5''   90 RU   H6       6.00
 &rst
  ixpk= 0, nxpk= 0, iat=1645,1653, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   90 RU    H3'    90 RU   H5       5.00
 &rst
  ixpk= 0, nxpk= 0, iat=1663,1655, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   90 RU    H2'    90 RU   H1'      3.00
 &rst
  ixpk= 0, nxpk= 0, iat=1665,1650, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   90 RU    H3'    90 RU   H1'      4.00
 &rst
  ixpk= 0, nxpk= 0, iat=1663,1650, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   90 RU    H4'    90 RU   H1'      4.00
 &rst
  ixpk= 0, nxpk= 0, iat=1647,1650, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   90 RU    H5'    90 RU   H1'      6.00
 &rst
  ixpk= 0, nxpk= 0, iat=1644,1650, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   90 RU    H5''   90 RU   H1'      6.00
 &rst
  ixpk= 0, nxpk= 0, iat=1645,1650, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   90 RU    H3'    90 RU   H2'      3.00
 &rst
  ixpk= 0, nxpk= 0, iat=1663,1665, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   90 RU    H4'    90 RU   H2'      5.00
 &rst
  ixpk= 0, nxpk= 0, iat=1647,1665, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   90 RU    H5'    90 RU   H3'      5.00
 &rst
  ixpk= 0, nxpk= 0, iat=1644,1663, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   90 RU    H5''   90 RU   H3'      5.00
 &rst
  ixpk= 0, nxpk= 0, iat=1645,1663, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   90 RU    H5'    90 RU   H4'      4.00
 &rst
  ixpk= 0, nxpk= 0, iat=1644,1647, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   90 RU    H5''   90 RU   H4'      4.00
 &rst
  ixpk= 0, nxpk= 0, iat=1645,1647, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   90 RU    H2'    91 RC   H6       5.00
 &rst
  ixpk= 0, nxpk= 0, iat=1665,1683, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   90 RU    H4'    91 RC   H6       5.00
 &rst
  ixpk= 0, nxpk= 0, iat=1647,1683, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   90 RU    H3'    91 RC   H5       5.00
 &rst
  ixpk= 0, nxpk= 0, iat=1663,1685, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   90 RU    H4'    91 RC   H5       4.00
 &rst
  ixpk= 0, nxpk= 0, iat=1647,1685, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   90 RU    H5'    91 RC   H5       5.00
 &rst
  ixpk= 0, nxpk= 0, iat=1644,1685, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   90 RU    H5''   91 RC   H5       5.00
 &rst
  ixpk= 0, nxpk= 0, iat=1645,1685, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   90 RU    H2'    91 RC   H2'      5.00
 &rst
  ixpk= 0, nxpk= 0, iat=1665,1696, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   91 RC    H1'    91 RC   H6       4.00
 &rst
  ixpk= 0, nxpk= 0, iat=1680,1683, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   91 RC    H2'    91 RC   H6       3.00
 &rst
  ixpk= 0, nxpk= 0, iat=1696,1683, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   91 RC    H3'    91 RC   H6       5.00
 &rst
  ixpk= 0, nxpk= 0, iat=1694,1683, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   91 RC    H4'    91 RC   H6       5.00
 &rst
  ixpk= 0, nxpk= 0, iat=1677,1683, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   91 RC    H5'    91 RC   H6       5.00
 &rst
  ixpk= 0, nxpk= 0, iat=1674,1683, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   91 RC    H5''   91 RC   H6       5.00
 &rst
  ixpk= 0, nxpk= 0, iat=1675,1683, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   91 RC    H2'    91 RC   H5       5.00
 &rst
  ixpk= 0, nxpk= 0, iat=1696,1685, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   91 RC    H2'    91 RC   H1'      4.00
 &rst
  ixpk= 0, nxpk= 0, iat=1696,1680, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   91 RC    H3'    91 RC   H1'      4.00
 &rst
  ixpk= 0, nxpk= 0, iat=1694,1680, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   91 RC    H4'    91 RC   H1'      4.00
 &rst
  ixpk= 0, nxpk= 0, iat=1677,1680, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   91 RC    H5''   91 RC   H1'      6.00
 &rst
  ixpk= 0, nxpk= 0, iat=1675,1680, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   91 RC    H5'    91 RC   H1'      6.00
 &rst
  ixpk= 0, nxpk= 0, iat=1674,1680, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   91 RC    H3'    91 RC   H2'      3.00
 &rst
  ixpk= 0, nxpk= 0, iat=1694,1696, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   91 RC    H5'    91 RC   H2'      6.00
 &rst
  ixpk= 0, nxpk= 0, iat=1674,1696, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   91 RC    H5''   91 RC   H2'      6.00
 &rst
  ixpk= 0, nxpk= 0, iat=1675,1696, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   91 RC    H4'    91 RC   H3'      4.00
 &rst
  ixpk= 0, nxpk= 0, iat=1677,1694, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   91 RC    H5'    91 RC   H4'      3.00
 &rst
  ixpk= 0, nxpk= 0, iat=1674,1677, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   91 RC    H5''   91 RC   H4'      3.00
 &rst
  ixpk= 0, nxpk= 0, iat=1675,1677, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   90 RU    H2'    92 RC   H6       6.00
 &rst
  ixpk= 0, nxpk= 0, iat=1665,1714, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   90 RU    H1'    92 RC   H5       6.00
 &rst
  ixpk= 0, nxpk= 0, iat=1650,1716, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   90 RU    H2'    92 RC   H5       3.00
 &rst
  ixpk= 0, nxpk= 0, iat=1665,1716, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   90 RU    H3'    92 RC   H5       5.00
 &rst
  ixpk= 0, nxpk= 0, iat=1663,1716, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   91 RC    H2'    92 RC   H6       5.00
 &rst
  ixpk= 0, nxpk= 0, iat=1696,1714, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   91 RC    H3'    92 RC   H6       3.00
 &rst
  ixpk= 0, nxpk= 0, iat=1694,1714, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   91 RC    H4'    92 RC   H6       5.00
 &rst
  ixpk= 0, nxpk= 0, iat=1677,1714, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   91 RC    H5'    92 RC   H6       5.00
 &rst
  ixpk= 0, nxpk= 0, iat=1674,1714, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   91 RC    H5''   92 RC   H6       6.00
 &rst
  ixpk= 0, nxpk= 0, iat=1675,1714, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   91 RC    H2'    92 RC   H5       5.00
 &rst
  ixpk= 0, nxpk= 0, iat=1696,1716, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   91 RC    H3'    92 RC   H5       4.00
 &rst
  ixpk= 0, nxpk= 0, iat=1694,1716, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   91 RC    H4'    92 RC   H5       6.00
 &rst
  ixpk= 0, nxpk= 0, iat=1677,1716, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   91 RC    H5'    92 RC   H5       4.00
 &rst
  ixpk= 0, nxpk= 0, iat=1674,1716, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   91 RC    H5''   92 RC   H5       4.00
 &rst
  ixpk= 0, nxpk= 0, iat=1675,1716, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   91 RC    H3'    92 RC   H5'      5.00
 &rst
  ixpk= 0, nxpk= 0, iat=1694,1705, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   92 RC    H1'    92 RC   H6       4.00
 &rst
  ixpk= 0, nxpk= 0, iat=1711,1714, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   92 RC    H2'    92 RC   H6       3.00
 &rst
  ixpk= 0, nxpk= 0, iat=1727,1714, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   92 RC    H3'    92 RC   H6       4.00
 &rst
  ixpk= 0, nxpk= 0, iat=1725,1714, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   92 RC    H4'    92 RC   H6       5.00
 &rst
  ixpk= 0, nxpk= 0, iat=1708,1714, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   92 RC    H5'    92 RC   H6       5.00
 &rst
  ixpk= 0, nxpk= 0, iat=1705,1714, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   92 RC    H5''   92 RC   H6       5.00
 &rst
  ixpk= 0, nxpk= 0, iat=1706,1714, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   92 RC    H2'    92 RC   H5       5.00
 &rst
  ixpk= 0, nxpk= 0, iat=1727,1716, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   92 RC    H2'    92 RC   H1'      4.00
 &rst
  ixpk= 0, nxpk= 0, iat=1727,1711, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   92 RC    H3'    92 RC   H1'      4.00
 &rst
  ixpk= 0, nxpk= 0, iat=1725,1711, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   92 RC    H4'    92 RC   H1'      4.00
 &rst
  ixpk= 0, nxpk= 0, iat=1708,1711, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   92 RC    H5'    92 RC   H1'      6.00
 &rst
  ixpk= 0, nxpk= 0, iat=1705,1711, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   92 RC    H5''   92 RC   H1'      6.00
 &rst
  ixpk= 0, nxpk= 0, iat=1706,1711, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   92 RC    H3'    92 RC   H2'      3.00
 &rst
  ixpk= 0, nxpk= 0, iat=1725,1727, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   92 RC    H4'    92 RC   H2'      5.00
 &rst
  ixpk= 0, nxpk= 0, iat=1708,1727, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   92 RC    H5'    92 RC   H2'      5.00
 &rst
  ixpk= 0, nxpk= 0, iat=1705,1727, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   92 RC    H5''   92 RC   H2'      5.00
 &rst
  ixpk= 0, nxpk= 0, iat=1706,1727, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   92 RC    H4'    92 RC   H3'      3.00
 &rst
  ixpk= 0, nxpk= 0, iat=1708,1725, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   92 RC    H5'    92 RC   H3'      4.00
 &rst
  ixpk= 0, nxpk= 0, iat=1705,1725, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   92 RC    H5''   92 RC   H3'      4.00
 &rst
  ixpk= 0, nxpk= 0, iat=1706,1725, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   92 RC    H5'    92 RC   H4'      3.00
 &rst
  ixpk= 0, nxpk= 0, iat=1705,1708, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   92 RC    H5''   92 RC   H4'      3.00
 &rst
  ixpk= 0, nxpk= 0, iat=1706,1708, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   92 RC    H4'    93 RG   H8       5.00
 &rst
  ixpk= 0, nxpk= 0, iat=1708,1745, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   92 RC    H5'    93 RG   H8       5.00
 &rst
  ixpk= 0, nxpk= 0, iat=1705,1745, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   92 RC    H5''   93 RG   H8       5.00
 &rst
  ixpk= 0, nxpk= 0, iat=1706,1745, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   92 RC    H4'    93 RG   H1'      5.00
 &rst
  ixpk= 0, nxpk= 0, iat=1708,1742, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   92 RC    H5'    93 RG   H1'      7.00
 &rst
  ixpk= 0, nxpk= 0, iat=1705,1742, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#   92 RC    H5''   93 RG   H1'      7.00
 &rst
  ixpk= 0, nxpk= 0, iat=1706,1742, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#   92 RC    H4'    93 RG   H3'      5.00
 &rst
  ixpk= 0, nxpk= 0, iat=1708,1759, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   92 RC    H4'    93 RG   H4'      4.00
 &rst
  ixpk= 0, nxpk= 0, iat=1708,1739, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   92 RC    H4'    93 RG   H5'      5.00
 &rst
  ixpk= 0, nxpk= 0, iat=1708,1736, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   92 RC    H4'    93 RG   H5''     4.00
 &rst
  ixpk= 0, nxpk= 0, iat=1708,1737, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   93 RG    H1'    93 RG   H8       3.00
 &rst
  ixpk= 0, nxpk= 0, iat=1742,1745, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   93 RG    H2'    93 RG   H8       5.00
 &rst
  ixpk= 0, nxpk= 0, iat=1761,1745, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   93 RG    H4'    93 RG   H8       6.00
 &rst
  ixpk= 0, nxpk= 0, iat=1739,1745, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   93 RG    H2'    93 RG   H1'      3.00
 &rst
  ixpk= 0, nxpk= 0, iat=1761,1742, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   93 RG    H3'    93 RG   H1'      5.00
 &rst
  ixpk= 0, nxpk= 0, iat=1759,1742, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   93 RG    H4'    93 RG   H1'      4.00
 &rst
  ixpk= 0, nxpk= 0, iat=1739,1742, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   93 RG    H5'    93 RG   H1'      5.00
 &rst
  ixpk= 0, nxpk= 0, iat=1736,1742, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   93 RG    H5''   93 RG   H1'      5.00
 &rst
  ixpk= 0, nxpk= 0, iat=1737,1742, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   93 RG    H3'    93 RG   H2'      3.00
 &rst
  ixpk= 0, nxpk= 0, iat=1759,1761, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   93 RG    H4'    93 RG   H2'      5.00
 &rst
  ixpk= 0, nxpk= 0, iat=1739,1761, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   93 RG    H5'    93 RG   H2'      6.00
 &rst
  ixpk= 0, nxpk= 0, iat=1736,1761, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   93 RG    H5''   93 RG   H2'      5.50
 &rst
  ixpk= 0, nxpk= 0, iat=1737,1761, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   93 RG    H4'    93 RG   H3'      3.00
 &rst
  ixpk= 0, nxpk= 0, iat=1739,1759, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   93 RG    H5'    93 RG   H3'      4.00
 &rst
  ixpk= 0, nxpk= 0, iat=1736,1759, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   93 RG    H5''   93 RG   H3'      4.00
 &rst
  ixpk= 0, nxpk= 0, iat=1737,1759, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   93 RG    H5'    93 RG   H4'      3.00
 &rst
  ixpk= 0, nxpk= 0, iat=1736,1739, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   93 RG    H2'    94 RU   H6       5.00
 &rst
  ixpk= 0, nxpk= 0, iat=1761,1779, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   93 RG    H3'    94 RU   H6       4.00
 &rst
  ixpk= 0, nxpk= 0, iat=1759,1779, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   93 RG    H2'    94 RU   H1'      4.50
 &rst
  ixpk= 0, nxpk= 0, iat=1761,1776, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   93 RG    H3'    94 RU   H1'      5.00
 &rst
  ixpk= 0, nxpk= 0, iat=1759,1776, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   93 RG    H2'    94 RU   H3'      5.00
 &rst
  ixpk= 0, nxpk= 0, iat=1761,1789, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   93 RG    H2'    94 RU   H4'      4.00
 &rst
  ixpk= 0, nxpk= 0, iat=1761,1773, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   93 RG    H2'    94 RU   H5'      5.00
 &rst
  ixpk= 0, nxpk= 0, iat=1761,1770, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   93 RG    H2'    94 RU   H5''     5.00
 &rst
  ixpk= 0, nxpk= 0, iat=1761,1771, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   93 RG    H3'    94 RU   H5'      6.00
 &rst
  ixpk= 0, nxpk= 0, iat=1759,1770, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   93 RG    H3'    94 RU   H5''     6.00
 &rst
  ixpk= 0, nxpk= 0, iat=1759,1771, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   93 RG    H1     94 RU   H3       5.00
 &rst
  ixpk= 0, nxpk= 0, iat=1751,1785, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   90 RU    H2'    93 RG   H1       5.00
 &rst
  ixpk= 0, nxpk= 0, iat=1665,1751, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   90 RU    H6     93 RG   H1       6.00
 &rst
  ixpk= 0, nxpk= 0, iat=1653,1751, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   90 RU    H1'    93 RG   H1       3.50
 &rst
  ixpk= 0, nxpk= 0, iat=1650,1751, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   92 RC    H1'    93 RG   H1       5.00
 &rst
  ixpk= 0, nxpk= 0, iat=1711,1751, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   92 RC    H5     93 RG   H1       6.00
 &rst
  ixpk= 0, nxpk= 0, iat=1716,1751, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   93 RG    H1     94 RU   H6       6.00
 &rst
  ixpk= 0, nxpk= 0, iat=1751,1779, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   90 RU    H2'    90 RU   H2'      5.00
#This appears to be self-referential: ignoring
#
#   90 RU    H2'    91 RC   H2'      6.00
 &rst
  ixpk= 0, nxpk= 0, iat=1665,1696, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   90 RU    H2'    94 RU   H3       6.00
 &rst
  ixpk= 0, nxpk= 0, iat=1665,1785, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   90 RU    H3     93 RG   H1       5.00
 &rst
  ixpk= 0, nxpk= 0, iat=1659,1751, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   90 RU    H3     94 RU   H3       5.00
 &rst
  ixpk= 0, nxpk= 0, iat=1659,1785, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   90 RU    H4'    93 RG   H1       6.00
 &rst
  ixpk= 0, nxpk= 0, iat=1647,1751, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   92 RC    H6     93 RG   H1       6.00
 &rst
  ixpk= 0, nxpk= 0, iat=1714,1751, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   90 RU    H6     94 RU   H3       6.00
 &rst
  ixpk= 0, nxpk= 0, iat=1653,1785, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   90 RU    H2'    90 RU   H1'      5.00
 &rst
  ixpk= 0, nxpk= 0, iat=1665,1650, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   90 RU    H4'    90 RU   H2'      6.00
 &rst
  ixpk= 0, nxpk= 0, iat=1647,1665, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   90 RU    H2'    91 RC   H2'      6.00
 &rst
  ixpk= 0, nxpk= 0, iat=1665,1696, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   90 RU    H2'    92 RC   H6       6.00
 &rst
  ixpk= 0, nxpk= 0, iat=1665,1714, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   90 RU    H1'    94 RU   H3       5.00
 &rst
  ixpk= 0, nxpk= 0, iat=1650,1785, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   92 RC    H2'    93 RG   H1       6.00
 &rst
  ixpk= 0, nxpk= 0, iat=1727,1751, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   91 RC    H3'    93 RG   H1       6.00
 &rst
  ixpk= 0, nxpk= 0, iat=1694,1751, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   90 RU    H2'    93 RG   H1       3.50
 &rst
  ixpk= 0, nxpk= 0, iat=1665,1751, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end


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