NMR Restraints Grid

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

image mrblock_id pdb_id bmrb_id cing stage position program type subtype subsubtype
10546 1pve 5868 cing 1-original 2 AMBER distance NOE simple


#
#    3 HIS  HA       3 HIS  HB2    3.350   (#SUP   1.00 )
 &rst
  ixpk= 1, nxpk= 0, iat=  24,  26, r1= 1.30, r2= 1.80, r3= 3.35, r4= 3.85, 
      rk2=20.0, rk3=20.0, ir6=1, ialtd=0,
 &end
#
#    3 HIS  HA       3 HIS  HB3    3.300   (#SUP   1.00 )
 &rst
  ixpk= 1, nxpk= 0, iat=  24,  27, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
#    4 MET  HA       4 MET  HB2    3.600   (#SUP   3.87 )
 &rst
  ixpk= 3, nxpk= 0, iat=  41,  43, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,  &end
#
#    4 MET  HA       4 MET  HB3    3.890   (#SUP   3.87 )
 &rst
  ixpk= 3, nxpk= 0, iat=  41,  44, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39,  &end
#
#    4 MET  HA       4 MET  HG3    3.850   (#SUP   3.89 )
 &rst
  ixpk= 3, nxpk= 0, iat=  41,  47, r1= 1.30, r2= 1.80, r3= 3.85, r4= 4.35,  &end
#
#    4 MET  HA       5 PRO  HD2    3.370   (#SUP   2.84 )
 &rst
  ixpk= 2, nxpk= 0, iat=  41,  57, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,  &end
#
#    4 MET  HA       5 PRO  HD3    3.620   (#SUP   3.81 )
 &rst
  ixpk= 3, nxpk= 0, iat=  41,  58, r1= 1.30, r2= 1.80, r3= 3.62, r4= 4.12,  &end
#
#    4 MET  HB2      4 MET  HG2    3.110   (#SUP   3.00 )
 &rst
  ixpk= 3, nxpk= 0, iat=  43,  46, r1= 1.30, r2= 1.80, r3= 3.11, r4= 3.61,  &end
#
#    4 MET  HB2      4 MET  HG3    2.960   (#SUP   2.96 )
 &rst
  ixpk= 2, nxpk= 0, iat=  43,  47, r1= 1.30, r2= 1.80, r3= 2.96, r4= 3.46,  &end
#
#    4 MET  HB3      4 MET  HG2    2.930   (#SUP   3.00 )
 &rst
  ixpk= 3, nxpk= 0, iat=  44,  46, r1= 1.30, r2= 1.80, r3= 2.93, r4= 3.43,  &end
#
#    4 MET  HB3      4 MET  HG3    3.050   (#SUP   2.96 )
 &rst
  ixpk= 2, nxpk= 0, iat=  44,  47, r1= 1.30, r2= 1.80, r3= 3.05, r4= 3.55,  &end
#
#    4 MET  HG2      4 MET  HG3    2.460   (#SUP   2.96 )
 &rst
  ixpk= 2, nxpk= 0, iat=  46,  47, r1= 1.30, r2= 1.80, r3= 2.46, r4= 2.96,  &end
#
#    5 PRO  HA       5 PRO  HB2    3.340   (#SUP   4.90 )
 &rst
  ixpk= 4, nxpk= 0, iat=  66,  63, r1= 1.30, r2= 1.80, r3= 3.34, r4= 3.84,  &end
#
#    5 PRO  HA       5 PRO  HB3    3.790   (#SUP   4.90 )
 &rst
  ixpk= 4, nxpk= 0, iat=  66,  64, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29,  &end
#
#    5 PRO  HA       5 PRO  HD3    5.080   (#SUP   6.31 )
 &rst
  ixpk= 6, nxpk= 0, iat=  66,  58, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,  &end
#
#    5 PRO  HA       5 PRO  HG2    3.800   (#SUP   5.61 )
 &rst
  ixpk= 5, nxpk= 0, iat=  66,  60, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30,  &end
#
#    5 PRO  HA       5 PRO  HG3    4.290   (#SUP   5.31 )
 &rst
  ixpk= 5, nxpk= 0, iat=  66,  61, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79,  &end
#
#    5 PRO  HB2      5 PRO  HB3    2.830   (#SUP   3.00 )
 &rst
  ixpk= 3, nxpk= 0, iat=  63,  64, r1= 1.30, r2= 1.80, r3= 2.83, r4= 3.33,  &end
#
#    5 PRO  HB2      5 PRO  HG2    3.290   (#SUP   5.18 )
 &rst
  ixpk= 5, nxpk= 0, iat=  63,  60, r1= 1.30, r2= 1.80, r3= 3.29, r4= 3.79,  &end
#
#    5 PRO  HB2      5 PRO  HG3    3.500   (#SUP   4.90 )
 &rst
  ixpk= 4, nxpk= 0, iat=  63,  61, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    5 PRO  HB3      5 PRO  HG2    3.410   (#SUP   5.18 )
 &rst
  ixpk= 5, nxpk= 0, iat=  64,  60, r1= 1.30, r2= 1.80, r3= 3.41, r4= 3.91,  &end
#
#    5 PRO  HB3      5 PRO  HG3    3.210   (#SUP   4.90 )
 &rst
  ixpk= 4, nxpk= 0, iat=  64,  61, r1= 1.30, r2= 1.80, r3= 3.21, r4= 3.71,  &end
#
#    5 PRO  HD2      5 PRO  HD3    2.700   (#SUP   3.97 )
 &rst
  ixpk= 3, nxpk= 0, iat=  57,  58, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20,  &end
#
#    5 PRO  HD2      5 PRO  HG2    3.520   (#SUP   5.57 )
 &rst
  ixpk= 5, nxpk= 0, iat=  57,  60, r1= 1.30, r2= 1.80, r3= 3.52, r4= 4.02,  &end
#
#    5 PRO  HD2      5 PRO  HG3    3.690   (#SUP   5.29 )
 &rst
  ixpk= 5, nxpk= 0, iat=  57,  61, r1= 1.30, r2= 1.80, r3= 3.69, r4= 4.19,  &end
#
#    5 PRO  HD3      5 PRO  HG2    3.750   (#SUP   5.69 )
 &rst
  ixpk= 5, nxpk= 0, iat=  58,  60, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25,  &end
#
#    5 PRO  HD3      5 PRO  HG3    3.440   (#SUP   5.39 )
 &rst
  ixpk= 5, nxpk= 0, iat=  58,  61, r1= 1.30, r2= 1.80, r3= 3.44, r4= 3.94,  &end
#
#    5 PRO  HG2      5 PRO  HG3    2.620   (#SUP   5.31 )
 &rst
  ixpk= 5, nxpk= 0, iat=  60,  61, r1= 1.30, r2= 1.80, r3= 2.62, r4= 3.12,  &end
#
#    5 PRO  HG2      6 LEU  QD1    3.960   (#SUP   3.66 )
 &rst
  ixpk= 3, nxpk= 0, iat=  60,  -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
 igr2=  79,  80,  81,
 &end
#
#    6 LEU  HA       6 LEU  HB2    4.270   (#SUP   4.63 )
 &rst
  ixpk= 4, nxpk= 0, iat=  72,  74, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,  &end
#
#    6 LEU  HA       6 LEU  HB3    3.320   (#SUP   3.25 )
 &rst
  ixpk= 3, nxpk= 0, iat=  72,  75, r1= 1.30, r2= 1.80, r3= 3.32, r4= 3.82,  &end
#
#    6 LEU  HA       6 LEU  QD2    3.430   (#SUP   4.74 )
 &rst
  ixpk= 4, nxpk= 0, iat=  72,  -1, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62,
 igr2=  83,  84,  85,
 &end
#
#    6 LEU  HB2      6 LEU  HB3    2.710   (#SUP   4.75 )
 &rst
  ixpk= 4, nxpk= 0, iat=  74,  75, r1= 1.30, r2= 1.80, r3= 2.71, r4= 3.21,  &end
#
#    6 LEU  HB2      6 LEU  HG     3.350   (#SUP   4.68 )
 &rst
  ixpk= 4, nxpk= 0, iat=  74,  77, r1= 1.30, r2= 1.80, r3= 3.35, r4= 3.85,  &end
#
#    6 LEU  HB2      6 LEU  QD1    3.380   (#SUP   3.89 )
 &rst
  ixpk= 3, nxpk= 0, iat=  74,  -1, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56,
 igr2=  79,  80,  81,
 &end
#
#    6 LEU  HB2      6 LEU  QD2    3.680   (#SUP   4.97 )
 &rst
  ixpk= 4, nxpk= 0, iat=  74,  -1, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92,
 igr2=  83,  84,  85,
 &end
#
#    6 LEU  HB2      9 LEU  QD1    3.770   (#SUP   2.08 )
 &rst
  ixpk= 2, nxpk= 0, iat=  74,  -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
 igr2= 133, 134, 135,
 &end
#
#    6 LEU  HB3      9 LEU  QD1    4.070   (#SUP   1.30 )
 &rst
  ixpk= 1, nxpk= 0, iat=  75,  -1, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39,
 igr2= 133, 134, 135,
 &end
#
#    6 LEU  HG       6 LEU  QD1    2.750   (#SUP   2.85 )
 &rst
  ixpk= 2, nxpk= 0, iat=  77,  -1, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,
 igr2=  79,  80,  81,
 &end
#
#    6 LEU  HG       6 LEU  QD2    3.300   (#SUP   3.71 )
 &rst
  ixpk= 3, nxpk= 0, iat=  77,  -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
 igr2=  83,  84,  85,
 &end
#
#    6 LEU  QD1      6 LEU  QD2    3.100   (#SUP   3.07 )
 &rst
  ixpk= 3, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97,
 igr1=  79,  80,  81,
 igr2=  83,  84,  85,
 &end
#
#    6 LEU  QD1     47 ILE  HA     3.640   (#SUP   2.86 )
 &rst
  ixpk= 2, nxpk= 0, iat=  -1, 770, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87,
 igr1=  79,  80,  81,
 &end
#
#    6 LEU  QD1     47 ILE  HG13   4.820   (#SUP   2.96 )
 &rst
  ixpk= 2, nxpk= 0, iat=  -1, 779, r1= 1.30, r2= 1.80, r3= 5.79, r4= 6.29,
 igr1=  79,  80,  81,
 &end
#
#    6 LEU  QD1     47 ILE  QG2    4.220   (#SUP   1.50 )
 &rst
  ixpk= 1, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.09, r4= 6.59,
 igr1=  79,  80,  81,
 igr2= 774, 775, 776,
 &end
#
#    6 LEU  QD1     50 HIS  HB2    4.820   (#SUP   1.50 )
 &rst
  ixpk= 1, nxpk= 0, iat=  -1, 819, r1= 1.30, r2= 1.80, r3= 5.79, r4= 6.29,
 igr1=  79,  80,  81,
 &end
#
#    6 LEU  QD1     50 HIS  HB3    3.870   (#SUP   2.96 )
 &rst
  ixpk= 2, nxpk= 0, iat=  -1, 820, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,
 igr1=  79,  80,  81,
 &end
#
#    6 LEU  QD1     53 HIS  QB     3.800   (#SUP   1.66 )
 &rst
  ixpk= 1, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
 igr1=  79,  80,  81,
 igr2= 868, 869,
 &end
#
#    6 LEU  QD1     54 PHE  HA     3.700   (#SUP   2.59 )
 &rst
  ixpk= 2, nxpk= 0, iat=  -1, 883, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
 igr1=  79,  80,  81,
 &end
#
#    6 LEU  QD1     54 PHE  HB2    4.400   (#SUP   2.59 )
 &rst
  ixpk= 2, nxpk= 0, iat=  -1, 885, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
 igr1=  79,  80,  81,
 &end
#
#    6 LEU  QD1     54 PHE  HB3    3.690   (#SUP   2.59 )
 &rst
  ixpk= 2, nxpk= 0, iat=  -1, 886, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93,
 igr1=  79,  80,  81,
 &end
#
#    6 LEU  QD2     46 GLN  HB2    4.440   (#SUP   3.15 )
 &rst
  ixpk= 3, nxpk= 0, iat=  -1, 755, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83,
 igr1=  83,  84,  85,
 &end
#
#    6 LEU  QD2     46 GLN  HB3    3.900   (#SUP   3.15 )
 &rst
  ixpk= 3, nxpk= 0, iat=  -1, 756, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,
 igr1=  83,  84,  85,
 &end
#
#    6 LEU  QD2     47 ILE  HA     3.760   (#SUP   5.31 )
 &rst
  ixpk= 5, nxpk= 0, iat=  -1, 770, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02,
 igr1=  83,  84,  85,
 &end
#
#    6 LEU  QD2     47 ILE  HG12   4.160   (#SUP   3.61 )
 &rst
  ixpk= 3, nxpk= 0, iat=  -1, 778, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
 igr1=  83,  84,  85,
 &end
#
#    6 LEU  QD2     47 ILE  HG13   3.790   (#SUP   4.87 )
 &rst
  ixpk= 4, nxpk= 0, iat=  -1, 779, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05,
 igr1=  83,  84,  85,
 &end
#
#    6 LEU  QD2     50 HIS  HB3    4.360   (#SUP   0.75 )
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 820, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,
 igr1=  83,  84,  85,
 &end
#
#    7 GLU- HA       7 GLU- HB2    3.470   (#SUP   3.25 )
 &rst
  ixpk= 3, nxpk= 0, iat=  91,  93, r1= 1.30, r2= 1.80, r3= 3.47, r4= 3.97,  &end
#
#    7 GLU- HA       7 GLU- HB3    3.380   (#SUP   3.97 )
 &rst
  ixpk= 3, nxpk= 0, iat=  91,  94, r1= 1.30, r2= 1.80, r3= 3.38, r4= 3.88,  &end
#
#    7 GLU- HA       7 GLU- QG     3.640   (#SUP   3.31 )
 &rst
  ixpk= 3, nxpk= 0, iat=  91,  -1, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59,
 igr2=  96,  97,
 &end
#
#    7 GLU- HA      10 ARG+ QB     3.360   (#SUP   1.50 )
 &rst
  ixpk= 1, nxpk= 0, iat=  91,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr2= 147, 148,
 &end
#
#    7 GLU- HB2      7 GLU- QG     3.000   (#SUP   2.96 )
 &rst
  ixpk= 2, nxpk= 0, iat=  93,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2=  96,  97,
 &end
#
#    7 GLU- HB3      7 GLU- QG     2.970   (#SUP   3.30 )
 &rst
  ixpk= 3, nxpk= 0, iat=  94,  -1, r1= 1.30, r2= 1.80, r3= 3.33, r4= 3.83,
 igr2=  96,  97,
 &end
#
#    8 PHE  HA       8 PHE  HB2    3.290   (#SUP   3.00 )
 &rst
  ixpk= 3, nxpk= 0, iat= 106, 108, r1= 1.30, r2= 1.80, r3= 3.29, r4= 3.79,  &end
#
#    8 PHE  HA       8 PHE  HB3    3.320   (#SUP   3.00 )
 &rst
  ixpk= 3, nxpk= 0, iat= 106, 109, r1= 1.30, r2= 1.80, r3= 3.32, r4= 3.82,  &end
#
#    8 PHE  HB2      8 PHE  HB3    2.550   (#SUP   3.00 )
 &rst
  ixpk= 3, nxpk= 0, iat= 108, 109, r1= 1.30, r2= 1.80, r3= 2.55, r4= 3.05,  &end
#
#    9 LEU  HA       9 LEU  HB2    3.980   (#SUP   5.80 )
 &rst
  ixpk= 5, nxpk= 0, iat= 126, 128, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48,  &end
#
#    9 LEU  HA       9 LEU  HB3    3.690   (#SUP   5.62 )
 &rst
  ixpk= 5, nxpk= 0, iat= 126, 129, r1= 1.30, r2= 1.80, r3= 3.69, r4= 4.19,  &end
#
#    9 LEU  HA       9 LEU  HG     4.410   (#SUP   4.76 )
 &rst
  ixpk= 4, nxpk= 0, iat= 126, 131, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,  &end
#
#    9 LEU  HA       9 LEU  QD1    4.110   (#SUP   5.03 )
 &rst
  ixpk= 5, nxpk= 0, iat= 126,  -1, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
 igr2= 133, 134, 135,
 &end
#
#    9 LEU  HA       9 LEU  QD2    3.400   (#SUP   5.13 )
 &rst
  ixpk= 5, nxpk= 0, iat= 126,  -1, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58,
 igr2= 137, 138, 139,
 &end
#
#    9 LEU  HA      12 GLN  HG2    4.050   (#SUP   2.25 )
 &rst
  ixpk= 2, nxpk= 0, iat= 126, 188, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55,  &end
#
#    9 LEU  HA      12 GLN  HG3    4.020   (#SUP   2.25 )
 &rst
  ixpk= 2, nxpk= 0, iat= 126, 189, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52,  &end
#
#    9 LEU  HA      12 GLN  QB     4.390   (#SUP   2.25 )
 &rst
  ixpk= 2, nxpk= 0, iat= 126,  -1, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43,
 igr2= 185, 186,
 &end
#
#    9 LEU  HB2      9 LEU  QD1    3.510   (#SUP   2.31 )
 &rst
  ixpk= 2, nxpk= 0, iat= 128,  -1, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72,
 igr2= 133, 134, 135,
 &end
#
#    9 LEU  QD1     43 LEU  QD1    3.780   (#SUP   0.75 )
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95,
 igr1= 133, 134, 135,
 igr2= 705, 706, 707,
 &end
#
#    9 LEU  QD2     43 LEU  QD1    3.660   (#SUP   0.75 )
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
 igr1= 137, 138, 139,
 igr2= 705, 706, 707,
 &end
#
#   10 ARG+ HA      10 ARG+ QB     3.260   (#SUP   4.40 )
 &rst
  ixpk= 4, nxpk= 0, iat= 145,  -1, r1= 1.30, r2= 1.80, r3= 3.66, r4= 4.16,
 igr2= 147, 148,
 &end
#
#   10 ARG+ HA      10 ARG+ QG     3.570   (#SUP   4.14 )
 &rst
  ixpk= 4, nxpk= 0, iat= 145,  -1, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51,
 igr2= 150, 151,
 &end
#
#   10 ARG+ HD2     10 ARG+ HD3    2.520   (#SUP   2.00 )
 &rst
  ixpk= 2, nxpk= 0, iat= 153, 154, r1= 1.30, r2= 1.80, r3= 2.52, r4= 3.02,  &end
#
#   10 ARG+ HD2     10 ARG+ QB     3.620   (#SUP   3.55 )
 &rst
  ixpk= 3, nxpk= 0, iat= 153,  -1, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56,
 igr2= 147, 148,
 &end
#
#   10 ARG+ HD2     10 ARG+ QG     3.280   (#SUP   3.29 )
 &rst
  ixpk= 3, nxpk= 0, iat= 153,  -1, r1= 1.30, r2= 1.80, r3= 3.68, r4= 4.18,
 igr2= 150, 151,
 &end
#
#   10 ARG+ HD3     10 ARG+ QB     3.580   (#SUP   3.55 )
 &rst
  ixpk= 3, nxpk= 0, iat= 154,  -1, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52,
 igr2= 147, 148,
 &end
#
#   10 ARG+ HD3     10 ARG+ QG     3.520   (#SUP   3.29 )
 &rst
  ixpk= 3, nxpk= 0, iat= 154,  -1, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45,
 igr2= 150, 151,
 &end
#
#   10 ARG+ QB      10 ARG+ QG     2.710   (#SUP   6.15 )
 &rst
  ixpk= 6, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.41, r4= 3.91,
 igr1= 147, 148,
 igr2= 150, 151,
 &end
#
#   11 ASN  HB2     11 ASN  HB3    2.450   (#SUP   3.30 )
 &rst
  ixpk= 3, nxpk= 0, iat= 171, 172, r1= 1.30, r2= 1.80, r3= 2.45, r4= 2.95,  &end
#
#   12 GLN  HG2     12 GLN  HG3    2.530   (#SUP   1.93 )
 &rst
  ixpk= 1, nxpk= 0, iat= 188, 189, r1= 1.30, r2= 1.80, r3= 2.53, r4= 3.03,  &end
#
#   12 GLN  HG2     12 GLN  QB     3.130   (#SUP   1.93 )
 &rst
  ixpk= 1, nxpk= 0, iat= 188,  -1, r1= 1.30, r2= 1.80, r3= 3.51, r4= 4.01,
 igr2= 185, 186,
 &end
#
#   13 PRO  HA      13 PRO  HB2    3.280   (#SUP   3.87 )
 &rst
  ixpk= 3, nxpk= 0, iat= 208, 205, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78,  &end
#
#   13 PRO  HA      13 PRO  HB3    3.630   (#SUP   4.90 )
 &rst
  ixpk= 4, nxpk= 0, iat= 208, 206, r1= 1.30, r2= 1.80, r3= 3.63, r4= 4.13,  &end
#
#   13 PRO  HB2     13 PRO  HD2    3.680   (#SUP   5.31 )
 &rst
  ixpk= 5, nxpk= 0, iat= 205, 199, r1= 1.30, r2= 1.80, r3= 3.68, r4= 4.18,  &end
#
#   13 PRO  HB2     13 PRO  HG2    3.000   (#SUP   5.00 )
 &rst
  ixpk= 5, nxpk= 0, iat= 205, 202, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   13 PRO  HB2     13 PRO  HG3    3.140   (#SUP   5.00 )
 &rst
  ixpk= 5, nxpk= 0, iat= 205, 203, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,  &end
#
#   13 PRO  HB3     13 PRO  HD2    3.830   (#SUP   5.31 )
 &rst
  ixpk= 5, nxpk= 0, iat= 206, 199, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33,  &end
#
#   13 PRO  HB3     13 PRO  HD3    4.120   (#SUP   5.31 )
 &rst
  ixpk= 5, nxpk= 0, iat= 206, 200, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62,  &end
#
#   13 PRO  HB3     13 PRO  HG3    2.400   (#SUP   5.00 )
 &rst
  ixpk= 5, nxpk= 0, iat= 206, 203, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90,  &end
#
#   13 PRO  HD2     13 PRO  HD3    2.720   (#SUP   4.97 )
 &rst
  ixpk= 4, nxpk= 0, iat= 199, 200, r1= 1.30, r2= 1.80, r3= 2.72, r4= 3.22,  &end
#
#   13 PRO  HD2     13 PRO  HG2    3.250   (#SUP   5.31 )
 &rst
  ixpk= 5, nxpk= 0, iat= 199, 202, r1= 1.30, r2= 1.80, r3= 3.25, r4= 3.75,  &end
#
#   13 PRO  HD2     13 PRO  HG3    3.750   (#SUP   4.31 )
 &rst
  ixpk= 4, nxpk= 0, iat= 199, 203, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25,  &end
#
#   13 PRO  HD3     13 PRO  HG2    3.290   (#SUP   5.31 )
 &rst
  ixpk= 5, nxpk= 0, iat= 200, 202, r1= 1.30, r2= 1.80, r3= 3.29, r4= 3.79,  &end
#
#   13 PRO  HD3     13 PRO  HG3    3.490   (#SUP   4.30 )
 &rst
  ixpk= 4, nxpk= 0, iat= 200, 203, r1= 1.30, r2= 1.80, r3= 3.49, r4= 3.99,  &end
#
#   13 PRO  HG2     13 PRO  HG3    2.400   (#SUP   5.00 )
 &rst
  ixpk= 5, nxpk= 0, iat= 202, 203, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90,  &end
#
#   14 GLN  HA      14 GLN  QB     3.120   (#SUP   2.80 )
 &rst
  ixpk= 2, nxpk= 0, iat= 214,  -1, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,
 igr2= 216, 217,
 &end
#
#   14 GLN  HA      14 GLN  QG     3.380   (#SUP   2.56 )
 &rst
  ixpk= 2, nxpk= 0, iat= 214,  -1, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29,
 igr2= 219, 220,
 &end
#
#   14 GLN  QB      14 GLN  QG     2.590   (#SUP   2.70 )
 &rst
  ixpk= 2, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.26, r4= 3.76,
 igr1= 216, 217,
 igr2= 219, 220,
 &end
#
#   15 PHE  HA      15 PHE  HB2    4.090   (#SUP   3.00 )
 &rst
  ixpk= 3, nxpk= 0, iat= 231, 233, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59,  &end
#
#   15 PHE  HA      15 PHE  HB3    3.580   (#SUP   3.00 )
 &rst
  ixpk= 3, nxpk= 0, iat= 231, 234, r1= 1.30, r2= 1.80, r3= 3.58, r4= 4.08,  &end
#
#   15 PHE  HA      18 MET  HG2    3.670   (#SUP   1.70 )
 &rst
  ixpk= 1, nxpk= 0, iat= 231, 290, r1= 1.30, r2= 1.80, r3= 3.67, r4= 4.17,  &end
#
#   15 PHE  HA      18 MET  HG3    3.570   (#SUP   1.70 )
 &rst
  ixpk= 1, nxpk= 0, iat= 231, 291, r1= 1.30, r2= 1.80, r3= 3.57, r4= 4.07,  &end
#
#   15 PHE  HB2     15 PHE  HB3    2.750   (#SUP   3.00 )
 &rst
  ixpk= 3, nxpk= 0, iat= 233, 234, r1= 1.30, r2= 1.80, r3= 2.75, r4= 3.25,  &end
#
#   16 GLN  HA      16 GLN  QB     2.980   (#SUP   2.57 )
 &rst
  ixpk= 2, nxpk= 0, iat= 251,  -1, r1= 1.30, r2= 1.80, r3= 3.34, r4= 3.84,
 igr2= 253, 254,
 &end
#
#   16 GLN  HA      16 GLN  QG     3.710   (#SUP   2.53 )
 &rst
  ixpk= 2, nxpk= 0, iat= 251,  -1, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66,
 igr2= 256, 257,
 &end
#
#   16 GLN  QB      16 GLN  QG     2.560   (#SUP   2.55 )
 &rst
  ixpk= 2, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.23, r4= 3.73,
 igr1= 253, 254,
 igr2= 256, 257,
 &end
#
#   17 GLN  HA      17 GLN  HB2    3.280   (#SUP   4.97 )
 &rst
  ixpk= 4, nxpk= 0, iat= 268, 270, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78,  &end
#
#   17 GLN  HA      17 GLN  HB3    3.370   (#SUP   4.26 )
 &rst
  ixpk= 4, nxpk= 0, iat= 268, 271, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,  &end
#
#   17 GLN  HA      17 GLN  HG2    3.660   (#SUP   4.94 )
 &rst
  ixpk= 4, nxpk= 0, iat= 268, 273, r1= 1.30, r2= 1.80, r3= 3.66, r4= 4.16,  &end
#
#   17 GLN  HA      17 GLN  HG3    3.430   (#SUP   5.11 )
 &rst
  ixpk= 5, nxpk= 0, iat= 268, 274, r1= 1.30, r2= 1.80, r3= 3.43, r4= 3.93,  &end
#
#   17 GLN  HA      20 GLN  QB     3.330   (#SUP   1.50 )
 &rst
  ixpk= 1, nxpk= 0, iat= 268,  -1, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24,
 igr2= 328, 329,
 &end
#
#   17 GLN  HB2     17 GLN  HB3    2.400   (#SUP   3.31 )
 &rst
  ixpk= 3, nxpk= 0, iat= 270, 271, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90,  &end
#
#   17 GLN  HB2     17 GLN  HG2    3.500   (#SUP   3.94 )
 &rst
  ixpk= 3, nxpk= 0, iat= 270, 273, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   17 GLN  HB3     17 GLN  HG2    3.860   (#SUP   3.62 )
 &rst
  ixpk= 3, nxpk= 0, iat= 271, 273, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36,  &end
#
#   17 GLN  HB3     21 ILE  QD1    4.010   (#SUP   0.56 )
 &rst
  ixpk= 0, nxpk= 0, iat= 271,  -1, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32,
 igr2= 354, 355, 356,
 &end
#
#   18 MET  HA      18 MET  HB2    3.770   (#SUP   4.31 )
 &rst
  ixpk= 4, nxpk= 0, iat= 285, 287, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,  &end
#
#   18 MET  HA      18 MET  HB3    3.990   (#SUP   4.97 )
 &rst
  ixpk= 4, nxpk= 0, iat= 285, 288, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49,  &end
#
#   18 MET  HA      18 MET  HG2    3.900   (#SUP   5.00 )
 &rst
  ixpk= 5, nxpk= 0, iat= 285, 290, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40,  &end
#
#   18 MET  HA      18 MET  HG3    3.900   (#SUP   5.00 )
 &rst
  ixpk= 5, nxpk= 0, iat= 285, 291, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40,  &end
#
#   18 MET  HA      21 ILE  HB     3.460   (#SUP   1.50 )
 &rst
  ixpk= 1, nxpk= 0, iat= 285, 345, r1= 1.30, r2= 1.80, r3= 3.46, r4= 3.96,  &end
#
#   18 MET  HA      21 ILE  QD1    3.480   (#SUP   2.63 )
 &rst
  ixpk= 2, nxpk= 0, iat= 285,  -1, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68,
 igr2= 354, 355, 356,
 &end
#
#   18 MET  HA      32 LEU  QD2    3.540   (#SUP   3.23 )
 &rst
  ixpk= 3, nxpk= 0, iat= 285,  -1, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75,
 igr2= 527, 528, 529,
 &end
#
#   18 MET  HB2     18 MET  HB3    2.720   (#SUP   4.30 )
 &rst
  ixpk= 4, nxpk= 0, iat= 287, 288, r1= 1.30, r2= 1.80, r3= 2.72, r4= 3.22,  &end
#
#   18 MET  HB2     18 MET  HG2    3.080   (#SUP   4.42 )
 &rst
  ixpk= 4, nxpk= 0, iat= 287, 290, r1= 1.30, r2= 1.80, r3= 3.08, r4= 3.58,  &end
#
#   18 MET  HB2     18 MET  HG3    3.020   (#SUP   4.31 )
 &rst
  ixpk= 4, nxpk= 0, iat= 287, 291, r1= 1.30, r2= 1.80, r3= 3.02, r4= 3.52,  &end
#
#   18 MET  HB2     32 LEU  QD1    4.100   (#SUP   2.24 )
 &rst
  ixpk= 2, nxpk= 0, iat= 287,  -1, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,
 igr2= 523, 524, 525,
 &end
#
#   18 MET  HB2     32 LEU  QD2    4.150   (#SUP   5.02 )
 &rst
  ixpk= 5, nxpk= 0, iat= 287,  -1, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48,
 igr2= 527, 528, 529,
 &end
#
#   18 MET  HB3     18 MET  HG2    2.890   (#SUP   5.00 )
 &rst
  ixpk= 5, nxpk= 0, iat= 288, 290, r1= 1.30, r2= 1.80, r3= 2.89, r4= 3.39,  &end
#
#   18 MET  HB3     18 MET  HG3    3.200   (#SUP   4.97 )
 &rst
  ixpk= 4, nxpk= 0, iat= 288, 291, r1= 1.30, r2= 1.80, r3= 3.20, r4= 3.70,  &end
#
#   18 MET  HB3     21 ILE  QD1    3.680   (#SUP   0.99 )
 &rst
  ixpk= 0, nxpk= 0, iat= 288,  -1, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92,
 igr2= 354, 355, 356,
 &end
#
#   18 MET  HB3     32 LEU  QD1    4.190   (#SUP   2.24 )
 &rst
  ixpk= 2, nxpk= 0, iat= 288,  -1, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,
 igr2= 523, 524, 525,
 &end
#
#   18 MET  HB3     32 LEU  QD2    4.110   (#SUP   5.02 )
 &rst
  ixpk= 5, nxpk= 0, iat= 288,  -1, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
 igr2= 527, 528, 529,
 &end
#
#   18 MET  HG2     18 MET  HG3    2.760   (#SUP   5.00 )
 &rst
  ixpk= 5, nxpk= 0, iat= 290, 291, r1= 1.30, r2= 1.80, r3= 2.76, r4= 3.26,  &end
#
#   18 MET  HG3     32 LEU  QD2    3.690   (#SUP   3.23 )
 &rst
  ixpk= 3, nxpk= 0, iat= 291,  -1, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93,
 igr2= 527, 528, 529,
 &end
#
#   18 MET  HG3     58 LEU  QD2    3.900   (#SUP   1.49 )
 &rst
  ixpk= 1, nxpk= 0, iat= 291,  -1, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,
 igr2= 967, 968, 969,
 &end
#
#   19 ARG+ HA      19 ARG+ HG2    3.230   (#SUP   4.63 )
 &rst
  ixpk= 4, nxpk= 0, iat= 302, 307, r1= 1.30, r2= 1.80, r3= 3.23, r4= 3.73,  &end
#
#   19 ARG+ HA      19 ARG+ HG3    3.800   (#SUP   4.63 )
 &rst
  ixpk= 4, nxpk= 0, iat= 302, 308, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30,  &end
#
#   19 ARG+ HA      19 ARG+ QB     3.220   (#SUP   4.87 )
 &rst
  ixpk= 4, nxpk= 0, iat= 302,  -1, r1= 1.30, r2= 1.80, r3= 3.61, r4= 4.11,
 igr2= 304, 305,
 &end
#
#   19 ARG+ HA      22 ILE  HB     3.680   (#SUP   2.49 )
 &rst
  ixpk= 2, nxpk= 0, iat= 302, 364, r1= 1.30, r2= 1.80, r3= 3.68, r4= 4.18,  &end
#
#   19 ARG+ HA      22 ILE  QD1    4.420   (#SUP   2.49 )
 &rst
  ixpk= 2, nxpk= 0, iat= 302,  -1, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,
 igr2= 373, 374, 375,
 &end
#
#   19 ARG+ HA      22 ILE  QG2    4.190   (#SUP   2.49 )
 &rst
  ixpk= 2, nxpk= 0, iat= 302,  -1, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,
 igr2= 366, 367, 368,
 &end
#
#   19 ARG+ HA      58 LEU  QD2    3.790   (#SUP   2.27 )
 &rst
  ixpk= 2, nxpk= 0, iat= 302,  -1, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05,
 igr2= 967, 968, 969,
 &end
#
#   19 ARG+ HD2     19 ARG+ HD3    2.660   (#SUP   4.00 )
 &rst
  ixpk= 4, nxpk= 0, iat= 310, 311, r1= 1.30, r2= 1.80, r3= 2.66, r4= 3.16,  &end
#
#   19 ARG+ HD2     19 ARG+ HG2    3.580   (#SUP   4.92 )
 &rst
  ixpk= 4, nxpk= 0, iat= 310, 307, r1= 1.30, r2= 1.80, r3= 3.58, r4= 4.08,  &end
#
#   19 ARG+ HD2     19 ARG+ HG3    3.500   (#SUP   4.92 )
 &rst
  ixpk= 4, nxpk= 0, iat= 310, 308, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   19 ARG+ HD2     19 ARG+ QB     3.760   (#SUP   4.38 )
 &rst
  ixpk= 4, nxpk= 0, iat= 310,  -1, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72,
 igr2= 304, 305,
 &end
#
#   19 ARG+ HD2     58 LEU  HA     3.850   (#SUP   1.50 )
 &rst
  ixpk= 1, nxpk= 0, iat= 310, 956, r1= 1.30, r2= 1.80, r3= 3.85, r4= 4.35,  &end
#
#   19 ARG+ HD3     19 ARG+ HG2    3.820   (#SUP   4.92 )
 &rst
  ixpk= 4, nxpk= 0, iat= 311, 307, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32,  &end
#
#   19 ARG+ HD3     19 ARG+ HG3    3.620   (#SUP   4.92 )
 &rst
  ixpk= 4, nxpk= 0, iat= 311, 308, r1= 1.30, r2= 1.80, r3= 3.62, r4= 4.12,  &end
#
#   19 ARG+ HD3     19 ARG+ QB     4.080   (#SUP   4.38 )
 &rst
  ixpk= 4, nxpk= 0, iat= 311,  -1, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
 igr2= 304, 305,
 &end
#
#   19 ARG+ HD3     58 LEU  HA     3.810   (#SUP   1.50 )
 &rst
  ixpk= 1, nxpk= 0, iat= 311, 956, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31,  &end
#
#   19 ARG+ HG2     19 ARG+ QB     3.320   (#SUP   5.98 )
 &rst
  ixpk= 5, nxpk= 0, iat= 307,  -1, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23,
 igr2= 304, 305,
 &end
#
#   19 ARG+ HG2     32 LEU  QD1    3.860   (#SUP   1.61 )
# &rst
#  ixpk= 1, nxpk= 0, iat= 307,  -1, r1= 1.30, r2= 1.80, r3= 5.081, r4= 5.14,
# igr2= 523, 524, 525,
# &end
#
#   19 ARG+ HG2     32 LEU  QD2    3.740   (#SUP   2.31 )
 &rst
  ixpk= 2, nxpk= 0, iat= 307,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2= 527, 528, 529,
 &end
#
#   19 ARG+ HG2     58 LEU  HA     3.650   (#SUP   2.91 )
 &rst
  ixpk= 2, nxpk= 0, iat= 307, 956, r1= 1.30, r2= 1.80, r3= 3.65, r4= 4.15,  &end
#
#   19 ARG+ HG2     58 LEU  QD2    3.840   (#SUP   4.10 )
 &rst
  ixpk= 4, nxpk= 0, iat= 307,  -1, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,
 igr2= 967, 968, 969,
 &end
#
#   19 ARG+ HG3     19 ARG+ QB     3.060   (#SUP   5.98 )
 &rst
  ixpk= 5, nxpk= 0, iat= 308,  -1, r1= 1.30, r2= 1.80, r3= 3.43, r4= 3.93,
 igr2= 304, 305,
 &end
#
#   19 ARG+ QB      58 LEU  QD2    4.580   (#SUP   2.27 )
 &rst
  ixpk= 2, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 304, 305,
 igr2= 967, 968, 969,
 &end
#
#   20 GLN  HA      20 GLN  HG2    3.790   (#SUP   4.63 )
 &rst
  ixpk= 4, nxpk= 0, iat= 326, 331, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29,  &end
#
#   20 GLN  HA      20 GLN  HG3    3.730   (#SUP   4.58 )
 &rst
  ixpk= 4, nxpk= 0, iat= 326, 332, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23,  &end
#
#   20 GLN  HA      20 GLN  QB     2.900   (#SUP   4.19 )
 &rst
  ixpk= 4, nxpk= 0, iat= 326,  -1, r1= 1.30, r2= 1.80, r3= 3.26, r4= 3.76,
 igr2= 328, 329,
 &end
#
#   20 GLN  HA      62 VAL  QG1    4.460   (#SUP   1.83 )
 &rst
  ixpk= 1, nxpk= 0, iat= 326,  -1, r1= 1.30, r2= 1.80, r3= 5.36, r4= 5.86,
 igr2=1022,1023,1024,
 &end
#
#   20 GLN  HA      62 VAL  QG2    5.040   (#SUP   1.84 )
 &rst
  ixpk= 1, nxpk= 0, iat= 326,  -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
 igr2=1026,1027,1028,
 &end
#
#   20 GLN  HG2     20 GLN  QB     2.810   (#SUP   3.84 )
 &rst
  ixpk= 3, nxpk= 0, iat= 331,  -1, r1= 1.30, r2= 1.80, r3= 3.15, r4= 3.65,
 igr2= 328, 329,
 &end
#
#   20 GLN  QB      21 ILE  HA     3.800   (#SUP   4.85 )
 &rst
  ixpk= 4, nxpk= 0, iat=  -1, 343, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,
 igr1= 328, 329,
 &end
#
#   21 ILE  HA      21 ILE  HB     3.440   (#SUP   6.20 )
 &rst
  ixpk= 6, nxpk= 0, iat= 343, 345, r1= 1.30, r2= 1.80, r3= 3.44, r4= 3.94,  &end
#
#   21 ILE  HA      21 ILE  HG12   3.400   (#SUP   6.47 )
 &rst
  ixpk= 6, nxpk= 0, iat= 343, 351, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90,  &end
#
#   21 ILE  HA      21 ILE  HG13   3.350   (#SUP   5.21 )
 &rst
  ixpk= 5, nxpk= 0, iat= 343, 352, r1= 1.30, r2= 1.80, r3= 3.35, r4= 3.85,  &end
#
#   21 ILE  HA      21 ILE  QD1    3.900   (#SUP   3.94 )
 &rst
  ixpk= 3, nxpk= 0, iat= 343,  -1, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,
 igr2= 354, 355, 356,
 &end
#
#   21 ILE  HA      21 ILE  QG2    3.030   (#SUP   4.52 )
 &rst
  ixpk= 4, nxpk= 0, iat= 343,  -1, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14,
 igr2= 347, 348, 349,
 &end
#
#   21 ILE  HB      21 ILE  HG12   3.240   (#SUP   6.28 )
 &rst
  ixpk= 6, nxpk= 0, iat= 345, 351, r1= 1.30, r2= 1.80, r3= 3.24, r4= 3.74,  &end
#
#   21 ILE  HB      21 ILE  HG13   3.540   (#SUP   5.31 )
 &rst
  ixpk= 5, nxpk= 0, iat= 345, 352, r1= 1.30, r2= 1.80, r3= 3.54, r4= 4.04,  &end
#
#   21 ILE  HB      21 ILE  QD1    3.330   (#SUP   4.04 )
 &rst
  ixpk= 4, nxpk= 0, iat= 345,  -1, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
 igr2= 354, 355, 356,
 &end
#
#   21 ILE  HB      21 ILE  QG2    2.920   (#SUP   4.62 )
 &rst
  ixpk= 4, nxpk= 0, iat= 345,  -1, r1= 1.30, r2= 1.80, r3= 3.51, r4= 4.01,
 igr2= 347, 348, 349,
 &end
#
#   21 ILE  HG12    21 ILE  HG13   2.550   (#SUP   5.61 )
 &rst
  ixpk= 5, nxpk= 0, iat= 351, 352, r1= 1.30, r2= 1.80, r3= 2.55, r4= 3.05,  &end
#
#   21 ILE  HG12    21 ILE  QD1    3.000   (#SUP   4.21 )
 &rst
  ixpk= 4, nxpk= 0, iat= 351,  -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr2= 354, 355, 356,
 &end
#
#   21 ILE  HG12    21 ILE  QG2    3.250   (#SUP   5.04 )
 &rst
  ixpk= 5, nxpk= 0, iat= 351,  -1, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40,
 igr2= 347, 348, 349,
 &end
#
#   21 ILE  HG13    21 ILE  QD1    2.900   (#SUP   3.62 )
 &rst
  ixpk= 3, nxpk= 0, iat= 352,  -1, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98,
 igr2= 354, 355, 356,
 &end
#
#   21 ILE  HG13    21 ILE  QG2    3.360   (#SUP   4.44 )
 &rst
  ixpk= 4, nxpk= 0, iat= 352,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr2= 347, 348, 349,
 &end
#
#   22 ILE  HA      22 ILE  HB     3.520   (#SUP   5.00 )
 &rst
  ixpk= 5, nxpk= 0, iat= 362, 364, r1= 1.30, r2= 1.80, r3= 3.52, r4= 4.02,  &end
#
#   22 ILE  HA      22 ILE  QD1    3.270   (#SUP   5.00 )
 &rst
  ixpk= 5, nxpk= 0, iat= 362,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 373, 374, 375,
 &end
#
#   22 ILE  HA      22 ILE  QG1    3.420   (#SUP   5.00 )
 &rst
  ixpk= 5, nxpk= 0, iat= 362,  -1, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34,
 igr2= 370, 371,
 &end
#
#   22 ILE  HA      22 ILE  QG2    3.210   (#SUP   5.44 )
 &rst
  ixpk= 5, nxpk= 0, iat= 362,  -1, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36,
 igr2= 366, 367, 368,
 &end
#
#   22 ILE  HA      26 PRO  HA     3.690   (#SUP   2.13 )
 &rst
  ixpk= 2, nxpk= 0, iat= 362, 437, r1= 1.30, r2= 1.80, r3= 3.69, r4= 4.19,  &end
#
#   22 ILE  HB      22 ILE  QD1    3.350   (#SUP   5.00 )
 &rst
  ixpk= 5, nxpk= 0, iat= 364,  -1, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52,
 igr2= 373, 374, 375,
 &end
#
#   22 ILE  HB      22 ILE  QG1    2.980   (#SUP   5.00 )
 &rst
  ixpk= 5, nxpk= 0, iat= 364,  -1, r1= 1.30, r2= 1.80, r3= 3.34, r4= 3.84,
 igr2= 370, 371,
 &end
#
#   22 ILE  HB      22 ILE  QG2    2.920   (#SUP   5.44 )
 &rst
  ixpk= 5, nxpk= 0, iat= 364,  -1, r1= 1.30, r2= 1.80, r3= 3.51, r4= 4.01,
 igr2= 366, 367, 368,
 &end
#
#   22 ILE  HB      58 LEU  QD2    4.450   (#SUP   2.82 )
 &rst
  ixpk= 2, nxpk= 0, iat= 364,  -1, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
 igr2= 967, 968, 969,
 &end
#
#   22 ILE  QD1     22 ILE  QG1    2.940   (#SUP   5.00 )
 &rst
  ixpk= 5, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
 igr1= 373, 374, 375,
 igr2= 370, 371,
 &end
#
#   22 ILE  QD1     22 ILE  QG2    3.040   (#SUP   5.44 )
 &rst
  ixpk= 5, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,
 igr1= 373, 374, 375,
 igr2= 366, 367, 368,
 &end
#
#   22 ILE  QD1     26 PRO  HA     4.170   (#SUP   1.50 )
 &rst
  ixpk= 1, nxpk= 0, iat=  -1, 437, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51,
 igr1= 373, 374, 375,
 &end
#
#   22 ILE  QD1     28 LEU  HB2    3.890   (#SUP   3.11 )
 &rst
  ixpk= 3, nxpk= 0, iat=  -1, 456, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,
 igr1= 373, 374, 375,
 &end
#
#   22 ILE  QD1     28 LEU  HB3    3.660   (#SUP   2.60 )
 &rst
  ixpk= 2, nxpk= 0, iat=  -1, 457, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,
 igr1= 373, 374, 375,
 &end
#
#   22 ILE  QD1     29 LEU  HA     3.560   (#SUP   4.81 )
 &rst
  ixpk= 4, nxpk= 0, iat=  -1, 473, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78,
 igr1= 373, 374, 375,
 &end
#
#   22 ILE  QD1     29 LEU  HB2    4.360   (#SUP   4.81 )
 &rst
  ixpk= 4, nxpk= 0, iat=  -1, 475, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,
 igr1= 373, 374, 375,
 &end
#
#   22 ILE  QD1     29 LEU  QD1    3.420   (#SUP   4.11 )
 &rst
  ixpk= 4, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43,
 igr1= 373, 374, 375,
 igr2= 480, 481, 482,
 &end
#
#   22 ILE  QD1     32 LEU  HB2    3.520   (#SUP   1.71 )
 &rst
  ixpk= 1, nxpk= 0, iat=  -1, 518, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73,
 igr1= 373, 374, 375,
 &end
#
#   22 ILE  QD1     32 LEU  HB3    3.630   (#SUP   1.71 )
 &rst
  ixpk= 1, nxpk= 0, iat=  -1, 519, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86,
 igr1= 373, 374, 375,
 &end
#
#   22 ILE  QD1     58 LEU  QD2    3.850   (#SUP   2.96 )
 &rst
  ixpk= 2, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.55, r4= 6.05,
 igr1= 373, 374, 375,
 igr2= 967, 968, 969,
 &end
#
#   22 ILE  QG1     22 ILE  QG2    3.030   (#SUP   5.44 )
 &rst
  ixpk= 5, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58,
 igr1= 370, 371,
 igr2= 366, 367, 368,
 &end
#
#   22 ILE  QG1     58 LEU  QD2    3.670   (#SUP   2.96 )
 &rst
  ixpk= 2, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr1= 370, 371,
 igr2= 967, 968, 969,
 &end
#
#   22 ILE  QG2     23 GLN  HA     4.240   (#SUP   5.38 )
 &rst
  ixpk= 5, nxpk= 0, iat=  -1, 381, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
 igr1= 366, 367, 368,
 &end
#
#   22 ILE  QG2     26 PRO  HA     3.580   (#SUP   3.25 )
 &rst
  ixpk= 3, nxpk= 0, iat=  -1, 437, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,
 igr1= 366, 367, 368,
 &end
#
#   22 ILE  QG2     26 PRO  HB2    3.900   (#SUP   0.95 )
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 434, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,
 igr1= 366, 367, 368,
 &end
#
#   22 ILE  QG2     29 LEU  HA     3.960   (#SUP   3.87 )
 &rst
  ixpk= 3, nxpk= 0, iat=  -1, 473, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
 igr1= 366, 367, 368,
 &end
#
#   22 ILE  QG2     29 LEU  HB2    3.590   (#SUP   3.87 )
 &rst
  ixpk= 3, nxpk= 0, iat=  -1, 475, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81,
 igr1= 366, 367, 368,
 &end
#
#   22 ILE  QG2     29 LEU  HB3    3.550   (#SUP   2.25 )
 &rst
  ixpk= 2, nxpk= 0, iat=  -1, 476, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76,
 igr1= 366, 367, 368,
 &end
#
#   22 ILE  QG2     58 LEU  QD1    3.080   (#SUP   0.68 )
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
 igr1= 366, 367, 368,
 igr2= 963, 964, 965,
 &end
#
#   22 ILE  QG2     58 LEU  QD2    3.380   (#SUP   4.57 )
 &rst
  ixpk= 4, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37,
 igr1= 366, 367, 368,
 igr2= 967, 968, 969,
 &end
#
#   23 GLN  HA      23 GLN  HG2    5.310   (#SUP   4.39 )
 &rst
  ixpk= 4, nxpk= 0, iat= 381, 386, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,  &end
#
#   23 GLN  HA      23 GLN  HG3    3.910   (#SUP   4.39 )
 &rst
  ixpk= 4, nxpk= 0, iat= 381, 387, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41,  &end
#
#   23 GLN  HA      23 GLN  QB     4.040   (#SUP   5.36 )
 &rst
  ixpk= 5, nxpk= 0, iat= 381,  -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
 igr2= 383, 384,
 &end
#
#   23 GLN  HG2     23 GLN  HG3    2.590   (#SUP   5.00 )
 &rst
  ixpk= 5, nxpk= 0, iat= 386, 387, r1= 1.30, r2= 1.80, r3= 2.59, r4= 3.09,  &end
#
#   23 GLN  HG2     23 GLN  QB     5.500   (#SUP   5.55 )
 &rst
  ixpk= 5, nxpk= 0, iat= 386,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 383, 384,
 &end
#
#   23 GLN  HG3     23 GLN  QB     3.120   (#SUP   5.55 )
 &rst
  ixpk= 5, nxpk= 0, iat= 387,  -1, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,
 igr2= 383, 384,
 &end
#
#   24 GLN  HA      24 GLN  HB2    3.390   (#SUP   4.97 )
 &rst
  ixpk= 4, nxpk= 0, iat= 398, 400, r1= 1.30, r2= 1.80, r3= 3.39, r4= 3.89,  &end
#
#   24 GLN  HA      24 GLN  HB3    3.370   (#SUP   4.70 )
 &rst
  ixpk= 4, nxpk= 0, iat= 398, 401, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,  &end
#
#   24 GLN  HA      24 GLN  HG2    4.140   (#SUP   4.26 )
 &rst
  ixpk= 4, nxpk= 0, iat= 398, 403, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64,  &end
#
#   24 GLN  HA      24 GLN  HG3    3.990   (#SUP   4.97 )
 &rst
  ixpk= 4, nxpk= 0, iat= 398, 404, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49,  &end
#
#   24 GLN  HB2     24 GLN  HG2    2.630   (#SUP   4.31 )
 &rst
  ixpk= 4, nxpk= 0, iat= 400, 403, r1= 1.30, r2= 1.80, r3= 2.971, r4= 3.13,  &end
#
#   24 GLN  HB2     24 GLN  HG3    3.830   (#SUP   5.00 )
 &rst
  ixpk= 5, nxpk= 0, iat= 400, 404, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33,  &end
#
#   24 GLN  HB3     24 GLN  HG2    3.390   (#SUP   4.24 )
 &rst
  ixpk= 4, nxpk= 0, iat= 401, 403, r1= 1.30, r2= 1.80, r3= 3.39, r4= 3.89,  &end
#
#   24 GLN  HB3     24 GLN  HG3    3.260   (#SUP   4.78 )
 &rst
  ixpk= 4, nxpk= 0, iat= 401, 404, r1= 1.30, r2= 1.80, r3= 3.26, r4= 3.76,  &end
#
#   25 ASN  HA      25 ASN  HB2    3.780   (#SUP   3.52 )
 &rst
  ixpk= 3, nxpk= 0, iat= 415, 417, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,  &end
#
#   25 ASN  HA      25 ASN  HB3    3.630   (#SUP   3.52 )
 &rst
  ixpk= 3, nxpk= 0, iat= 415, 418, r1= 1.30, r2= 1.80, r3= 3.63, r4= 4.13,  &end
#
#   25 ASN  HA      26 PRO  HD2    2.990   (#SUP   3.41 )
 &rst
  ixpk= 3, nxpk= 0, iat= 415, 428, r1= 1.30, r2= 1.80, r3= 2.99, r4= 3.49,  &end
#
#   25 ASN  HA      26 PRO  HD3    3.330   (#SUP   4.41 )
 &rst
  ixpk= 4, nxpk= 0, iat= 415, 429, r1= 1.30, r2= 1.80, r3= 3.33, r4= 3.83,  &end
#
#   25 ASN  HB2     25 ASN  HB3    2.410   (#SUP   4.00 )
 &rst
  ixpk= 4, nxpk= 0, iat= 417, 418, r1= 1.30, r2= 1.80, r3= 2.41, r4= 2.91,  &end
#
#   25 ASN  HB2     28 LEU  HG     3.620   (#SUP   4.97 )
 &rst
  ixpk= 4, nxpk= 0, iat= 417, 459, r1= 1.30, r2= 1.80, r3= 3.62, r4= 4.12,  &end
#
#   25 ASN  HB2     28 LEU  QD1    3.450   (#SUP   4.97 )
 &rst
  ixpk= 4, nxpk= 0, iat= 417,  -1, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64,
 igr2= 461, 462, 463,
 &end
#
#   25 ASN  HB3     28 LEU  HG     3.990   (#SUP   4.97 )
 &rst
  ixpk= 4, nxpk= 0, iat= 418, 459, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49,  &end
#
#   25 ASN  HB3     28 LEU  QD1    3.580   (#SUP   4.97 )
 &rst
  ixpk= 4, nxpk= 0, iat= 418,  -1, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,
 igr2= 461, 462, 463,
 &end
#
#   26 PRO  HA      26 PRO  HB2    3.450   (#SUP   5.33 )
 &rst
  ixpk= 5, nxpk= 0, iat= 437, 434, r1= 1.30, r2= 1.80, r3= 3.45, r4= 3.95,  &end
#
#   26 PRO  HA      26 PRO  HB3    3.800   (#SUP   3.66 )
 &rst
  ixpk= 3, nxpk= 0, iat= 437, 435, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30,  &end
#
#   26 PRO  HB2     26 PRO  HB3    2.400   (#SUP   5.91 )
 &rst
  ixpk= 5, nxpk= 0, iat= 434, 435, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90,  &end
#
#   26 PRO  HB2     26 PRO  HD2    3.920   (#SUP   6.40 )
 &rst
  ixpk= 6, nxpk= 0, iat= 434, 428, r1= 1.30, r2= 1.80, r3= 4.053, r4= 4.42,  &end
#
#   26 PRO  HB2     26 PRO  HD3    4.020   (#SUP   6.76 )
 &rst
  ixpk= 6, nxpk= 0, iat= 434, 429, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52,  &end
#
#   26 PRO  HB2     26 PRO  HG2    4.320   (#SUP   5.61 )
 &rst
  ixpk= 5, nxpk= 0, iat= 434, 431, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82,  &end
#
#   26 PRO  HB2     26 PRO  HG3    3.370   (#SUP   5.91 )
 &rst
  ixpk= 5, nxpk= 0, iat= 434, 432, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,  &end
#
#   26 PRO  HB3     26 PRO  HD3    4.320   (#SUP   6.70 )
 &rst
  ixpk= 6, nxpk= 0, iat= 435, 429, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82,  &end
#
#   26 PRO  HB3     26 PRO  HG2    2.830   (#SUP   5.61 )
 &rst
  ixpk= 5, nxpk= 0, iat= 435, 431, r1= 1.30, r2= 1.80, r3= 2.994, r4= 3.33,  &end
#
#   26 PRO  HD2     26 PRO  HD3    2.600   (#SUP   6.28 )
 &rst
  ixpk= 6, nxpk= 0, iat= 428, 429, r1= 1.30, r2= 1.80, r3= 2.60, r4= 3.10,  &end
#
#   26 PRO  HD2     26 PRO  HG2    3.090   (#SUP   5.07 )
 &rst
  ixpk= 5, nxpk= 0, iat= 428, 431, r1= 1.30, r2= 1.80, r3= 3.09, r4= 3.59,  &end
#
#   26 PRO  HD2     26 PRO  HG3    3.430   (#SUP   4.44 )
 &rst
  ixpk= 4, nxpk= 0, iat= 428, 432, r1= 1.30, r2= 1.80, r3= 3.43, r4= 3.93,  &end
#
#   26 PRO  HD3     26 PRO  HG2    3.520   (#SUP   5.38 )
 &rst
  ixpk= 5, nxpk= 0, iat= 429, 431, r1= 1.30, r2= 1.80, r3= 3.52, r4= 4.02,  &end
#
#   26 PRO  HD3     26 PRO  HG3    3.350   (#SUP   5.69 )
 &rst
  ixpk= 5, nxpk= 0, iat= 429, 432, r1= 1.30, r2= 1.80, r3= 3.35, r4= 3.85,  &end
#
#   26 PRO  HG2     26 PRO  HG3    2.400   (#SUP   4.61 )
 &rst
  ixpk= 4, nxpk= 0, iat= 431, 432, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90,  &end
#
#   27 SER  HA      27 SER  QB     3.020   (#SUP   2.00 )
 &rst
  ixpk= 2, nxpk= 0, iat= 443,  -1, r1= 1.30, r2= 1.80, r3= 3.39, r4= 3.89,
 igr2= 445, 446,
 &end
#
#   28 LEU  HA      28 LEU  HB2    3.870   (#SUP   6.00 )
 &rst
  ixpk= 6, nxpk= 0, iat= 454, 456, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37,  &end
#
#   28 LEU  HA      28 LEU  HB3    3.630   (#SUP   5.27 )
 &rst
  ixpk= 5, nxpk= 0, iat= 454, 457, r1= 1.30, r2= 1.80, r3= 3.63, r4= 4.13,  &end
#
#   28 LEU  HA      28 LEU  HG     3.630   (#SUP   5.27 )
 &rst
  ixpk= 5, nxpk= 0, iat= 454, 459, r1= 1.30, r2= 1.80, r3= 3.63, r4= 4.13,  &end
#
#   28 LEU  HA      28 LEU  QD1    4.070   (#SUP   5.31 )
 &rst
  ixpk= 5, nxpk= 0, iat= 454,  -1, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39,
 igr2= 461, 462, 463,
 &end
#
#   28 LEU  HA      28 LEU  QD2    3.160   (#SUP   5.99 )
 &rst
  ixpk= 5, nxpk= 0, iat= 454,  -1, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29,
 igr2= 465, 466, 467,
 &end
#
#   28 LEU  HA      31 ALA  QB     3.440   (#SUP   2.83 )
 &rst
  ixpk= 2, nxpk= 0, iat= 454,  -1, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63,
 igr2= 508, 509, 510,
 &end
#
#   28 LEU  HB2     28 LEU  HB3    2.710   (#SUP   5.27 )
 &rst
  ixpk= 5, nxpk= 0, iat= 456, 457, r1= 1.30, r2= 1.80, r3= 2.71, r4= 3.21,  &end
#
#   28 LEU  HB2     28 LEU  HG     3.270   (#SUP   5.27 )
 &rst
  ixpk= 5, nxpk= 0, iat= 456, 459, r1= 1.30, r2= 1.80, r3= 3.27, r4= 3.77,  &end
#
#   28 LEU  HB2     28 LEU  QD1    3.160   (#SUP   5.31 )
 &rst
  ixpk= 5, nxpk= 0, iat= 456,  -1, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29,
 igr2= 461, 462, 463,
 &end
#
#   28 LEU  HB2     28 LEU  QD2    3.660   (#SUP   6.00 )
 &rst
  ixpk= 6, nxpk= 0, iat= 456,  -1, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,
 igr2= 465, 466, 467,
 &end
#
#   28 LEU  HB3     28 LEU  QD1    3.210   (#SUP   4.97 )
 &rst
  ixpk= 4, nxpk= 0, iat= 457,  -1, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36,
 igr2= 461, 462, 463,
 &end
#
#   28 LEU  HB3     28 LEU  QD2    3.290   (#SUP   5.27 )
 &rst
  ixpk= 5, nxpk= 0, iat= 457,  -1, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45,
 igr2= 465, 466, 467,
 &end
#
#   28 LEU  HG      28 LEU  QD1    3.190   (#SUP   4.97 )
 &rst
  ixpk= 4, nxpk= 0, iat= 459,  -1, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33,
 igr2= 461, 462, 463,
 &end
#
#   28 LEU  HG      28 LEU  QD2    5.500   (#SUP   5.27 )
 &rst
  ixpk= 5, nxpk= 0, iat= 459,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 465, 466, 467,
 &end
#
#   28 LEU  QD1     28 LEU  QD2    3.000   (#SUP   5.31 )
 &rst
  ixpk= 5, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,
 igr1= 461, 462, 463,
 igr2= 465, 466, 467,
 &end
#
#   28 LEU  QD1     31 ALA  QB     3.460   (#SUP   1.50 )
 &rst
  ixpk= 1, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49,
 igr1= 461, 462, 463,
 igr2= 508, 509, 510,
 &end
#
#   28 LEU  QD2     31 ALA  QB     3.410   (#SUP   2.83 )
 &rst
  ixpk= 2, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,
 igr1= 465, 466, 467,
 igr2= 508, 509, 510,
 &end
#
#   29 LEU  HA      29 LEU  HB2    3.670   (#SUP   6.40 )
 &rst
  ixpk= 6, nxpk= 0, iat= 473, 475, r1= 1.30, r2= 1.80, r3= 3.67, r4= 4.17,  &end
#
#   29 LEU  HA      29 LEU  HB3    3.380   (#SUP   5.31 )
 &rst
  ixpk= 5, nxpk= 0, iat= 473, 476, r1= 1.30, r2= 1.80, r3= 3.38, r4= 3.88,  &end
#
#   29 LEU  HA      29 LEU  HG     3.480   (#SUP   3.08 )
 &rst
  ixpk= 3, nxpk= 0, iat= 473, 478, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98,  &end
#
#   29 LEU  HA      29 LEU  QD1    3.100   (#SUP   3.31 )
 &rst
  ixpk= 3, nxpk= 0, iat= 473,  -1, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22,
 igr2= 480, 481, 482,
 &end
#
#   29 LEU  HB2     29 LEU  HB3    2.660   (#SUP   5.44 )
 &rst
  ixpk= 5, nxpk= 0, iat= 475, 476, r1= 1.30, r2= 1.80, r3= 2.66, r4= 3.16,  &end
#
#   29 LEU  HB2     29 LEU  QD1    3.610   (#SUP   5.17 )
 &rst
  ixpk= 5, nxpk= 0, iat= 475,  -1, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84,
 igr2= 480, 481, 482,
 &end
#
#   29 LEU  HB2     29 LEU  QD2    3.270   (#SUP   4.68 )
 &rst
  ixpk= 4, nxpk= 0, iat= 475,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 484, 485, 486,
 &end
#
#   29 LEU  HB2     30 PRO  HD2    3.550   (#SUP   5.64 )
 &rst
  ixpk= 5, nxpk= 0, iat= 475, 491, r1= 1.30, r2= 1.80, r3= 3.837, r4= 4.05,  &end
#
#   29 LEU  HB2     30 PRO  HD3    3.130   (#SUP   6.52 )
 &rst
  ixpk= 6, nxpk= 0, iat= 475, 492, r1= 1.30, r2= 1.80, r3= 3.503, r4= 3.63,  &end
#
#   29 LEU  HB3     29 LEU  QD1    3.150   (#SUP   4.75 )
 &rst
  ixpk= 4, nxpk= 0, iat= 476,  -1, r1= 1.30, r2= 1.80, r3= 3.875, r4= 4.28,
 igr2= 480, 481, 482,
 &end
#
#   29 LEU  HB3     29 LEU  QD2    3.000   (#SUP   4.27 )
 &rst
  ixpk= 4, nxpk= 0, iat= 476,  -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr2= 484, 485, 486,
 &end
#
#   29 LEU  HB3     30 PRO  HD3    3.550   (#SUP   5.97 )
 &rst
  ixpk= 5, nxpk= 0, iat= 476, 492, r1= 1.30, r2= 1.80, r3= 3.55, r4= 4.05,  &end
#
#   29 LEU  HG      29 LEU  QD1    3.440   (#SUP   2.81 )
 &rst
  ixpk= 2, nxpk= 0, iat= 478,  -1, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63,
 igr2= 480, 481, 482,
 &end
#
#   29 LEU  HG      33 LEU  QD1    3.670   (#SUP   0.33 )
 &rst
  ixpk= 0, nxpk= 0, iat= 478,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr2= 542, 543, 544,
 &end
#
#   29 LEU  QD1     33 LEU  HG     3.440   (#SUP   3.24 )
 &rst
  ixpk= 3, nxpk= 0, iat=  -1, 540, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63,
 igr1= 480, 481, 482,
 &end
#
#   29 LEU  QD1     33 LEU  QD2    3.480   (#SUP   2.45 )
 &rst
  ixpk= 2, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52,
 igr1= 480, 481, 482,
 igr2= 546, 547, 548,
 &end
#
#   29 LEU  QD1     58 LEU  QD1    3.430   (#SUP   0.70 )
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr1= 480, 481, 482,
 igr2= 963, 964, 965,
 &end
#
#   29 LEU  QD2     30 PRO  HD3    3.950   (#SUP   4.47 )
 &rst
  ixpk= 4, nxpk= 0, iat=  -1, 492, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,
 igr1= 484, 485, 486,
 &end
#
#   29 LEU  QD2     58 LEU  QD1    4.000   (#SUP   0.73 )
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.77, r4= 6.27,
 igr1= 484, 485, 486,
 igr2= 963, 964, 965,
 &end
#
#   30 PRO  HA      30 PRO  HB2    3.130   (#SUP   3.97 )
 &rst
  ixpk= 3, nxpk= 0, iat= 500, 497, r1= 1.30, r2= 1.80, r3= 3.13, r4= 3.63,  &end
#
#   30 PRO  HA      30 PRO  HB3    3.030   (#SUP   6.12 )
 &rst
  ixpk= 6, nxpk= 0, iat= 500, 498, r1= 1.30, r2= 1.80, r3= 3.03, r4= 3.53,  &end
#
#   30 PRO  HA      30 PRO  HG2    4.100   (#SUP   6.08 )
 &rst
  ixpk= 6, nxpk= 0, iat= 500, 494, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,  &end
#
#   30 PRO  HA      30 PRO  HG3    3.690   (#SUP   5.24 )
 &rst
  ixpk= 5, nxpk= 0, iat= 500, 495, r1= 1.30, r2= 1.80, r3= 3.69, r4= 4.19,  &end
#
#   30 PRO  HA      33 LEU  HB2    3.930   (#SUP   3.69 )
 &rst
  ixpk= 3, nxpk= 0, iat= 500, 537, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,  &end
#
#   30 PRO  HA      33 LEU  HB3    4.370   (#SUP   4.42 )
 &rst
  ixpk= 4, nxpk= 0, iat= 500, 538, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87,  &end
#
#   30 PRO  HA      33 LEU  HG     4.340   (#SUP   4.77 )
 &rst
  ixpk= 4, nxpk= 0, iat= 500, 540, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84,  &end
#
#   30 PRO  HA      33 LEU  QD1    3.740   (#SUP   4.89 )
 &rst
  ixpk= 4, nxpk= 0, iat= 500,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2= 542, 543, 544,
 &end
#
#   30 PRO  HB2     30 PRO  HB3    2.560   (#SUP   6.19 )
 &rst
  ixpk= 6, nxpk= 0, iat= 497, 498, r1= 1.30, r2= 1.80, r3= 2.56, r4= 3.06,  &end
#
#   30 PRO  HB2     30 PRO  HG2    3.230   (#SUP   6.21 )
 &rst
  ixpk= 6, nxpk= 0, iat= 497, 494, r1= 1.30, r2= 1.80, r3= 3.23, r4= 3.73,  &end
#
#   30 PRO  HB2     30 PRO  HG3    2.880   (#SUP   5.58 )
 &rst
  ixpk= 5, nxpk= 0, iat= 497, 495, r1= 1.30, r2= 1.80, r3= 2.88, r4= 3.38,  &end
#
#   30 PRO  HB3     30 PRO  HD2    4.260   (#SUP   6.98 )
 &rst
  ixpk= 6, nxpk= 0, iat= 498, 491, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76,  &end
#
#   30 PRO  HB3     30 PRO  HD3    4.290   (#SUP   7.74 )
 &rst
  ixpk= 7, nxpk= 0, iat= 498, 492, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79,  &end
#
#   30 PRO  HB3     30 PRO  HG2    2.750   (#SUP   6.67 )
 &rst
  ixpk= 6, nxpk= 0, iat= 498, 494, r1= 1.30, r2= 1.80, r3= 2.75, r4= 3.25,  &end
#
#   30 PRO  HB3     31 ALA  QB     4.810   (#SUP   3.80 )
 &rst
  ixpk= 3, nxpk= 0, iat= 498,  -1, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28,
 igr2= 508, 509, 510,
 &end
#
#   30 PRO  HD2     30 PRO  HD3    2.710   (#SUP   6.75 )
 &rst
  ixpk= 6, nxpk= 0, iat= 491, 492, r1= 1.30, r2= 1.80, r3= 2.71, r4= 3.21,  &end
#
#   30 PRO  HD2     30 PRO  HG2    3.400   (#SUP   7.04 )
 &rst
  ixpk= 7, nxpk= 0, iat= 491, 494, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90,  &end
#
#   30 PRO  HD2     30 PRO  HG3    3.570   (#SUP   6.65 )
 &rst
  ixpk= 6, nxpk= 0, iat= 491, 495, r1= 1.30, r2= 1.80, r3= 3.57, r4= 4.07,  &end
#
#   30 PRO  HD3     30 PRO  HG2    3.550   (#SUP   7.83 )
 &rst
  ixpk= 7, nxpk= 0, iat= 492, 494, r1= 1.30, r2= 1.80, r3= 3.55, r4= 4.05,  &end
#
#   30 PRO  HD3     30 PRO  HG3    3.370   (#SUP   7.41 )
 &rst
  ixpk= 7, nxpk= 0, iat= 492, 495, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,  &end
#
#   30 PRO  HG2     30 PRO  HG3    2.540   (#SUP   5.87 )
 &rst
  ixpk= 5, nxpk= 0, iat= 494, 495, r1= 1.30, r2= 1.80, r3= 2.54, r4= 3.04,  &end
#
#   30 PRO  HG2     31 ALA  QB     4.370   (#SUP   4.11 )
 &rst
  ixpk= 4, nxpk= 0, iat= 494,  -1, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.75,
 igr2= 508, 509, 510,
 &end
#
#   31 ALA  HA      31 ALA  QB     2.810   (#SUP   2.40 )
 &rst
  ixpk= 2, nxpk= 0, iat= 506,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2= 508, 509, 510,
 &end
#
#   32 LEU  HA      32 LEU  HB2    3.270   (#SUP   5.00 )
 &rst
  ixpk= 5, nxpk= 0, iat= 516, 518, r1= 1.30, r2= 1.80, r3= 3.27, r4= 3.77,  &end
#
#   32 LEU  HA      32 LEU  HB3    3.280   (#SUP   5.96 )
 &rst
  ixpk= 5, nxpk= 0, iat= 516, 519, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78,  &end
#
#   32 LEU  HA      32 LEU  HG     3.300   (#SUP   4.26 )
 &rst
  ixpk= 4, nxpk= 0, iat= 516, 521, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
#   32 LEU  HA      32 LEU  QD1    3.540   (#SUP   5.85 )
 &rst
  ixpk= 5, nxpk= 0, iat= 516,  -1, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75,
 igr2= 523, 524, 525,
 &end
#
#   32 LEU  HA      32 LEU  QD2    4.000   (#SUP   4.69 )
 &rst
  ixpk= 4, nxpk= 0, iat= 516,  -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr2= 527, 528, 529,
 &end
#
#   32 LEU  HA      35 GLN  QB     3.640   (#SUP   2.96 )
 &rst
  ixpk= 2, nxpk= 0, iat= 516,  -1, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59,
 igr2= 573, 574,
 &end
#
#   32 LEU  HA      35 GLN  QG     4.010   (#SUP   2.96 )
 &rst
  ixpk= 2, nxpk= 0, iat= 516,  -1, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,
 igr2= 576, 577,
 &end
#
#   32 LEU  HB2     32 LEU  HB3    2.580   (#SUP   5.29 )
 &rst
  ixpk= 5, nxpk= 0, iat= 518, 519, r1= 1.30, r2= 1.80, r3= 2.58, r4= 3.08,  &end
#
#   32 LEU  HB2     32 LEU  HG     2.850   (#SUP   4.26 )
 &rst
  ixpk= 4, nxpk= 0, iat= 518, 521, r1= 1.30, r2= 1.80, r3= 2.999, r4= 3.35,  &end
#
#   32 LEU  HB2     32 LEU  QD1    3.480   (#SUP   5.18 )
 &rst
  ixpk= 5, nxpk= 0, iat= 518,  -1, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68,
 igr2= 523, 524, 525,
 &end
#
#   32 LEU  HB2     32 LEU  QD2    3.400   (#SUP   4.69 )
 &rst
  ixpk= 4, nxpk= 0, iat= 518,  -1, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58,
 igr2= 527, 528, 529,
 &end
#
#   32 LEU  HB3     32 LEU  QD1    3.110   (#SUP   5.81 )
 &rst
  ixpk= 5, nxpk= 0, iat= 519,  -1, r1= 1.30, r2= 1.80, r3= 3.873, r4= 4.23,
 igr2= 523, 524, 525,
 &end
#
#   32 LEU  HG      32 LEU  QD1    2.950   (#SUP   4.71 )
 &rst
  ixpk= 4, nxpk= 0, iat= 521,  -1, r1= 1.30, r2= 1.80, r3= 3.54, r4= 4.04,
 igr2= 523, 524, 525,
 &end
#
#   32 LEU  HG      32 LEU  QD2    3.310   (#SUP   4.22 )
 &rst
  ixpk= 4, nxpk= 0, iat= 521,  -1, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48,
 igr2= 527, 528, 529,
 &end
#
#   32 LEU  HG      36 ILE  QD1    3.480   (#SUP   1.63 )
 &rst
  ixpk= 1, nxpk= 0, iat= 521,  -1, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68,
 igr2= 599, 600, 601,
 &end
#
#   32 LEU  QD1     35 GLN  QB     4.100   (#SUP   3.25 )
 &rst
  ixpk= 3, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.53, r4= 6.03,
 igr1= 523, 524, 525,
 igr2= 573, 574,
 &end
#
#   32 LEU  QD1     35 GLN  QG     4.200   (#SUP   3.25 )
 &rst
  ixpk= 3, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
 igr1= 523, 524, 525,
 igr2= 576, 577,
 &end
#
#   32 LEU  QD1     36 ILE  HG12   3.810   (#SUP   0.71 )
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 596, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
 igr1= 523, 524, 525,
 &end
#
#   33 LEU  HA      33 LEU  HB2    3.220   (#SUP   5.99 )
 &rst
  ixpk= 5, nxpk= 0, iat= 535, 537, r1= 1.30, r2= 1.80, r3= 3.22, r4= 3.72,  &end
#
#   33 LEU  HA      33 LEU  HB3    3.410   (#SUP   6.20 )
 &rst
  ixpk= 6, nxpk= 0, iat= 535, 538, r1= 1.30, r2= 1.80, r3= 3.41, r4= 3.91,  &end
#
#   33 LEU  HA      33 LEU  HG     3.770   (#SUP   5.95 )
 &rst
  ixpk= 5, nxpk= 0, iat= 535, 540, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,  &end
#
#   33 LEU  HA      33 LEU  QD1    4.560   (#SUP   6.24 )
 &rst
  ixpk= 6, nxpk= 0, iat= 535,  -1, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98,
 igr2= 542, 543, 544,
 &end
#
#   33 LEU  HA      33 LEU  QD2    2.980   (#SUP   5.93 )
 &rst
  ixpk= 5, nxpk= 0, iat= 535,  -1, r1= 1.30, r2= 1.80, r3= 3.58, r4= 4.08,
 igr2= 546, 547, 548,
 &end
#
#   33 LEU  HA      36 ILE  HB     3.420   (#SUP   2.75 )
 &rst
  ixpk= 2, nxpk= 0, iat= 535, 590, r1= 1.30, r2= 1.80, r3= 3.42, r4= 3.92,  &end
#
#   33 LEU  HA      36 ILE  QD1    3.620   (#SUP   4.00 )
 &rst
  ixpk= 4, nxpk= 0, iat= 535,  -1, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85,
 igr2= 599, 600, 601,
 &end
#
#   33 LEU  HB2     33 LEU  HB3    2.610   (#SUP   6.19 )
 &rst
  ixpk= 6, nxpk= 0, iat= 537, 538, r1= 1.30, r2= 1.80, r3= 2.61, r4= 3.11,  &end
#
#   33 LEU  HB2     33 LEU  HG     3.350   (#SUP   5.97 )
 &rst
  ixpk= 5, nxpk= 0, iat= 537, 540, r1= 1.30, r2= 1.80, r3= 3.35, r4= 3.85,  &end
#
#   33 LEU  HB2     33 LEU  QD1    3.300   (#SUP   6.23 )
 &rst
  ixpk= 6, nxpk= 0, iat= 537,  -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
 igr2= 542, 543, 544,
 &end
#
#   33 LEU  HB2     33 LEU  QD2    3.300   (#SUP   5.92 )
 &rst
  ixpk= 5, nxpk= 0, iat= 537,  -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
 igr2= 546, 547, 548,
 &end
#
#   33 LEU  HB3     33 LEU  HG     3.650   (#SUP   6.17 )
 &rst
  ixpk= 6, nxpk= 0, iat= 538, 540, r1= 1.30, r2= 1.80, r3= 3.65, r4= 4.15,  &end
#
#   33 LEU  HB3     33 LEU  QD1    3.260   (#SUP   6.43 )
 &rst
  ixpk= 6, nxpk= 0, iat= 538,  -1, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42,
 igr2= 542, 543, 544,
 &end
#
#   33 LEU  HB3     33 LEU  QD2    3.380   (#SUP   6.13 )
 &rst
  ixpk= 6, nxpk= 0, iat= 538,  -1, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56,
 igr2= 546, 547, 548,
 &end
#
#   33 LEU  HB3     36 ILE  QD1    4.400   (#SUP   1.06 )
 &rst
  ixpk= 1, nxpk= 0, iat= 538,  -1, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
 igr2= 599, 600, 601,
 &end
#
#   33 LEU  HG      33 LEU  QD2    3.220   (#SUP   5.91 )
 &rst
  ixpk= 5, nxpk= 0, iat= 540,  -1, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37,
 igr2= 546, 547, 548,
 &end
#
#   33 LEU  QD1     33 LEU  QD2    2.990   (#SUP   6.17 )
 &rst
  ixpk= 6, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81,
 igr1= 542, 543, 544,
 igr2= 546, 547, 548,
 &end
#
#   33 LEU  QD1     47 ILE  QG2    4.500   (#SUP   0.75 )
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
 igr1= 542, 543, 544,
 igr2= 774, 775, 776,
 &end
#
#   33 LEU  QD2     47 ILE  HB     3.710   (#SUP   1.50 )
 &rst
  ixpk= 1, nxpk= 0, iat=  -1, 772, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96,
 igr1= 546, 547, 548,
 &end
#
#   33 LEU  QD2     47 ILE  QD1    3.680   (#SUP   1.50 )
 &rst
  ixpk= 1, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,
 igr1= 546, 547, 548,
 igr2= 781, 782, 783,
 &end
#
#   33 LEU  QD2     47 ILE  QG2    3.410   (#SUP   2.96 )
 &rst
  ixpk= 2, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,
 igr1= 546, 547, 548,
 igr2= 774, 775, 776,
 &end
#
#   35 GLN  HA      35 GLN  QB     3.160   (#SUP   3.62 )
 &rst
  ixpk= 3, nxpk= 0, iat= 571,  -1, r1= 1.30, r2= 1.80, r3= 3.55, r4= 4.05,
 igr2= 573, 574,
 &end
#
#   35 GLN  HA      35 GLN  QG     3.410   (#SUP   3.62 )
 &rst
  ixpk= 3, nxpk= 0, iat= 571,  -1, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33,
 igr2= 576, 577,
 &end
#
#   35 GLN  HA      38 ARG+ HG2    4.260   (#SUP   2.49 )
 &rst
  ixpk= 2, nxpk= 0, iat= 571, 619, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76,  &end
#
#   35 GLN  HA      38 ARG+ QB     3.170   (#SUP   3.53 )
 &rst
  ixpk= 3, nxpk= 0, iat= 571,  -1, r1= 1.30, r2= 1.80, r3= 3.56, r4= 4.06,
 igr2= 616, 617,
 &end
#
#   35 GLN  QB      35 GLN  QG     2.500   (#SUP   5.00 )
 &rst
  ixpk= 5, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.15, r4= 3.65,
 igr1= 573, 574,
 igr2= 576, 577,
 &end
#
#   35 GLN  QG      38 ARG+ QB     3.950   (#SUP   1.56 )
 &rst
  ixpk= 1, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48,
 igr1= 576, 577,
 igr2= 616, 617,
 &end
#
#   36 ILE  HA      36 ILE  HB     3.610   (#SUP   6.66 )
 &rst
  ixpk= 6, nxpk= 0, iat= 588, 590, r1= 1.30, r2= 1.80, r3= 3.61, r4= 4.11,  &end
#
#   36 ILE  HA      36 ILE  HG12   3.960   (#SUP   5.27 )
 &rst
  ixpk= 5, nxpk= 0, iat= 588, 596, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,  &end
#
#   36 ILE  HA      36 ILE  HG13   3.620   (#SUP   5.31 )
 &rst
  ixpk= 5, nxpk= 0, iat= 588, 597, r1= 1.30, r2= 1.80, r3= 3.62, r4= 4.12,  &end
#
#   36 ILE  HA      36 ILE  QD1    3.810   (#SUP   4.75 )
 &rst
  ixpk= 4, nxpk= 0, iat= 588,  -1, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
 igr2= 599, 600, 601,
 &end
#
#   36 ILE  HA      36 ILE  QG2    3.210   (#SUP   5.63 )
 &rst
  ixpk= 5, nxpk= 0, iat= 588,  -1, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36,
 igr2= 592, 593, 594,
 &end
#
#   36 ILE  HB      36 ILE  HG13   4.120   (#SUP   5.52 )
 &rst
  ixpk= 5, nxpk= 0, iat= 590, 597, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62,  &end
#
#   36 ILE  HB      36 ILE  QD1    3.160   (#SUP   4.97 )
 &rst
  ixpk= 4, nxpk= 0, iat= 590,  -1, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29,
 igr2= 599, 600, 601,
 &end
#
#   36 ILE  HB      36 ILE  QG2    2.890   (#SUP   5.50 )
 &rst
  ixpk= 5, nxpk= 0, iat= 590,  -1, r1= 1.30, r2= 1.80, r3= 3.47, r4= 3.97,
 igr2= 592, 593, 594,
 &end
#
#   36 ILE  HG12    36 ILE  HG13   2.740   (#SUP   4.97 )
 &rst
  ixpk= 4, nxpk= 0, iat= 596, 597, r1= 1.30, r2= 1.80, r3= 2.74, r4= 3.24,  &end
#
#   36 ILE  HG12    36 ILE  QD1    2.880   (#SUP   4.30 )
 &rst
  ixpk= 4, nxpk= 0, iat= 596,  -1, r1= 1.30, r2= 1.80, r3= 3.46, r4= 3.96,
 igr2= 599, 600, 601,
 &end
#
#   36 ILE  HG12    36 ILE  QG2    3.470   (#SUP   4.74 )
 &rst
  ixpk= 4, nxpk= 0, iat= 596,  -1, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67,
 igr2= 592, 593, 594,
 &end
#
#   36 ILE  HG13    36 ILE  QD1    2.920   (#SUP   4.31 )
 &rst
  ixpk= 4, nxpk= 0, iat= 597,  -1, r1= 1.30, r2= 1.80, r3= 3.51, r4= 4.01,
 igr2= 599, 600, 601,
 &end
#
#   36 ILE  HG13    36 ILE  QG2    3.230   (#SUP   4.76 )
 &rst
  ixpk= 4, nxpk= 0, iat= 597,  -1, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38,
 igr2= 592, 593, 594,
 &end
#
#   36 ILE  QG2     40 ASN  HB2    3.720   (#SUP   1.50 )
 &rst
  ixpk= 1, nxpk= 0, iat=  -1, 655, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97,
 igr1= 592, 593, 594,
 &end
#
#   36 ILE  QG2     40 ASN  HB3    4.210   (#SUP   1.50 )
 &rst
  ixpk= 1, nxpk= 0, iat=  -1, 656, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,
 igr1= 592, 593, 594,
 &end
#
#   36 ILE  QG2     43 LEU  HB2    3.780   (#SUP   3.20 )
 &rst
  ixpk= 3, nxpk= 0, iat=  -1, 700, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
 igr1= 592, 593, 594,
 &end
#
#   36 ILE  QG2     43 LEU  HG     3.440   (#SUP   2.20 )
 &rst
  ixpk= 2, nxpk= 0, iat=  -1, 703, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63,
 igr1= 592, 593, 594,
 &end
#
#   36 ILE  QG2     43 LEU  QD2    2.960   (#SUP   3.03 )
 &rst
  ixpk= 3, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,
 igr1= 592, 593, 594,
 igr2= 709, 710, 711,
 &end
#
#   36 ILE  QG2     44 LEU  HA     3.720   (#SUP   1.89 )
 &rst
  ixpk= 1, nxpk= 0, iat=  -1, 717, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97,
 igr1= 592, 593, 594,
 &end
#
#   36 ILE  QG2     44 LEU  HB3    3.590   (#SUP   3.79 )
 &rst
  ixpk= 3, nxpk= 0, iat=  -1, 720, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81,
 igr1= 592, 593, 594,
 &end
#
#   37 GLY  HA2     37 GLY  HA3    2.690   (#SUP   2.00 )
 &rst
  ixpk= 2, nxpk= 0, iat= 607, 608, r1= 1.30, r2= 1.80, r3= 2.69, r4= 3.19,  &end
#
#   37 GLY  HA2     41 PRO  HA     4.320   (#SUP   0.75 )
 &rst
  ixpk= 0, nxpk= 0, iat= 607, 675, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82,  &end
#
#   37 GLY  HA2     44 LEU  HB2    3.770   (#SUP   3.87 )
 &rst
  ixpk= 3, nxpk= 0, iat= 607, 719, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,  &end
#
#   37 GLY  HA2     44 LEU  HB3    3.790   (#SUP   4.23 )
 &rst
  ixpk= 4, nxpk= 0, iat= 607, 720, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29,  &end
#
#   37 GLY  HA2     44 LEU  QD1    3.370   (#SUP   4.58 )
 &rst
  ixpk= 4, nxpk= 0, iat= 607,  -1, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55,
 igr2= 724, 725, 726,
 &end
#
#   37 GLY  HA2     44 LEU  QD2    4.230   (#SUP   3.35 )
 &rst
  ixpk= 3, nxpk= 0, iat= 607,  -1, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,
 igr2= 728, 729, 730,
 &end
#
#   37 GLY  HA3     41 PRO  HA     4.070   (#SUP   0.75 )
 &rst
  ixpk= 0, nxpk= 0, iat= 608, 675, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57,  &end
#
#   37 GLY  HA3     44 LEU  HB2    3.720   (#SUP   2.00 )
 &rst
  ixpk= 2, nxpk= 0, iat= 608, 719, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22,  &end
#
#   37 GLY  HA3     44 LEU  QD1    3.510   (#SUP   2.63 )
 &rst
  ixpk= 2, nxpk= 0, iat= 608,  -1, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72,
 igr2= 724, 725, 726,
 &end
#
#   38 ARG+ HA      38 ARG+ HG2    3.860   (#SUP   4.75 )
 &rst
  ixpk= 4, nxpk= 0, iat= 614, 619, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36,  &end
#
#   38 ARG+ HA      38 ARG+ HG3    3.620   (#SUP   3.80 )
 &rst
  ixpk= 3, nxpk= 0, iat= 614, 620, r1= 1.30, r2= 1.80, r3= 3.62, r4= 4.12,  &end
#
#   38 ARG+ HA      38 ARG+ QB     3.020   (#SUP   3.95 )
 &rst
  ixpk= 3, nxpk= 0, iat= 614,  -1, r1= 1.30, r2= 1.80, r3= 3.39, r4= 3.89,
 igr2= 616, 617,
 &end
#
#   38 ARG+ HD2     38 ARG+ HG2    3.510   (#SUP   3.94 )
 &rst
  ixpk= 3, nxpk= 0, iat= 622, 619, r1= 1.30, r2= 1.80, r3= 3.51, r4= 4.01,  &end
#
#   38 ARG+ HD2     38 ARG+ HG3    3.460   (#SUP   3.61 )
 &rst
  ixpk= 3, nxpk= 0, iat= 622, 620, r1= 1.30, r2= 1.80, r3= 3.46, r4= 3.96,  &end
#
#   38 ARG+ HD2     38 ARG+ QB     3.390   (#SUP   3.65 )
 &rst
  ixpk= 3, nxpk= 0, iat= 622,  -1, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31,
 igr2= 616, 617,
 &end
#
#   38 ARG+ HD3     38 ARG+ HG2    3.410   (#SUP   3.94 )
 &rst
  ixpk= 3, nxpk= 0, iat= 623, 619, r1= 1.30, r2= 1.80, r3= 3.41, r4= 3.91,  &end
#
#   38 ARG+ HD3     38 ARG+ HG3    3.210   (#SUP   3.61 )
 &rst
  ixpk= 3, nxpk= 0, iat= 623, 620, r1= 1.30, r2= 1.80, r3= 3.21, r4= 3.71,  &end
#
#   38 ARG+ HD3     38 ARG+ QB     3.420   (#SUP   3.65 )
 &rst
  ixpk= 3, nxpk= 0, iat= 623,  -1, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34,
 igr2= 616, 617,
 &end
#
#   38 ARG+ HG2     38 ARG+ HG3    2.650   (#SUP   5.16 )
 &rst
  ixpk= 5, nxpk= 0, iat= 619, 620, r1= 1.30, r2= 1.80, r3= 2.65, r4= 3.15,  &end
#
#   38 ARG+ HG2     38 ARG+ QB     2.800   (#SUP   5.31 )
 &rst
  ixpk= 5, nxpk= 0, iat= 619,  -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr2= 616, 617,
 &end
#
#   38 ARG+ HG3     38 ARG+ QB     3.000   (#SUP   4.85 )
 &rst
  ixpk= 4, nxpk= 0, iat= 620,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2= 616, 617,
 &end
#
#   39 GLU- HA      39 GLU- HB2    3.310   (#SUP   5.00 )
 &rst
  ixpk= 5, nxpk= 0, iat= 638, 640, r1= 1.30, r2= 1.80, r3= 3.31, r4= 3.81,  &end
#
#   39 GLU- HA      39 GLU- HB3    3.670   (#SUP   5.00 )
 &rst
  ixpk= 5, nxpk= 0, iat= 638, 641, r1= 1.30, r2= 1.80, r3= 3.67, r4= 4.17,  &end
#
#   39 GLU- HA      39 GLU- HG2    3.790   (#SUP   4.27 )
 &rst
  ixpk= 4, nxpk= 0, iat= 638, 643, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29,  &end
#
#   39 GLU- HA      39 GLU- HG3    3.670   (#SUP   4.31 )
 &rst
  ixpk= 4, nxpk= 0, iat= 638, 644, r1= 1.30, r2= 1.80, r3= 3.67, r4= 4.17,  &end
#
#   39 GLU- HB2     39 GLU- HB3    2.620   (#SUP   5.00 )
 &rst
  ixpk= 5, nxpk= 0, iat= 640, 641, r1= 1.30, r2= 1.80, r3= 2.62, r4= 3.12,  &end
#
#   39 GLU- HB2     39 GLU- HG2    3.010   (#SUP   4.27 )
 &rst
  ixpk= 4, nxpk= 0, iat= 640, 643, r1= 1.30, r2= 1.80, r3= 3.01, r4= 3.51,  &end
#
#   39 GLU- HB2     39 GLU- HG3    3.180   (#SUP   4.31 )
 &rst
  ixpk= 4, nxpk= 0, iat= 640, 644, r1= 1.30, r2= 1.80, r3= 3.18, r4= 3.68,  &end
#
#   39 GLU- HB3     39 GLU- HG2    3.400   (#SUP   4.27 )
 &rst
  ixpk= 4, nxpk= 0, iat= 641, 643, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90,  &end
#
#   39 GLU- HB3     39 GLU- HG3    3.390   (#SUP   4.31 )
 &rst
  ixpk= 4, nxpk= 0, iat= 641, 644, r1= 1.30, r2= 1.80, r3= 3.39, r4= 3.89,  &end
#
#   39 GLU- HG2     39 GLU- HG3    2.400   (#SUP   3.96 )
 &rst
  ixpk= 3, nxpk= 0, iat= 643, 644, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90,  &end
#
#   40 ASN  HA      40 ASN  HB2    3.640   (#SUP   4.20 )
 &rst
  ixpk= 4, nxpk= 0, iat= 653, 655, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14,  &end
#
#   40 ASN  HA      40 ASN  HB3    3.260   (#SUP   4.20 )
 &rst
  ixpk= 4, nxpk= 0, iat= 653, 656, r1= 1.30, r2= 1.80, r3= 3.26, r4= 3.76,  &end
#
#   40 ASN  HA      41 PRO  HD2    3.130   (#SUP   4.42 )
 &rst
  ixpk= 4, nxpk= 0, iat= 653, 666, r1= 1.30, r2= 1.80, r3= 3.13, r4= 3.63,  &end
#
#   40 ASN  HA      41 PRO  HD3    3.440   (#SUP   4.99 )
 &rst
  ixpk= 4, nxpk= 0, iat= 653, 667, r1= 1.30, r2= 1.80, r3= 3.44, r4= 3.94,  &end
#
#   40 ASN  HB2     40 ASN  HB3    2.520   (#SUP   4.00 )
 &rst
  ixpk= 4, nxpk= 0, iat= 655, 656, r1= 1.30, r2= 1.80, r3= 2.52, r4= 3.02,  &end
#
#   40 ASN  HB2     43 LEU  HB2    3.920   (#SUP   3.87 )
 &rst
  ixpk= 3, nxpk= 0, iat= 655, 700, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42,  &end
#
#   40 ASN  HB2     43 LEU  HB3    4.350   (#SUP   4.82 )
 &rst
  ixpk= 4, nxpk= 0, iat= 655, 701, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85,  &end
#
#   40 ASN  HB2     43 LEU  QD2    4.020   (#SUP   4.86 )
 &rst
  ixpk= 4, nxpk= 0, iat= 655,  -1, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
 igr2= 709, 710, 711,
 &end
#
#   40 ASN  HB3     43 LEU  HB2    4.380   (#SUP   2.00 )
 &rst
  ixpk= 2, nxpk= 0, iat= 656, 700, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,  &end
#
#   41 PRO  HA      41 PRO  HB2    3.250   (#SUP   5.00 )
 &rst
  ixpk= 5, nxpk= 0, iat= 675, 672, r1= 1.30, r2= 1.80, r3= 3.25, r4= 3.75,  &end
#
#   41 PRO  HA      41 PRO  HB3    3.420   (#SUP   5.98 )
 &rst
  ixpk= 5, nxpk= 0, iat= 675, 673, r1= 1.30, r2= 1.80, r3= 3.42, r4= 3.92,  &end
#
#   41 PRO  HA      41 PRO  HD3    4.650   (#SUP   6.83 )
 &rst
  ixpk= 6, nxpk= 0, iat= 675, 667, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,  &end
#
#   41 PRO  HA      41 PRO  HG2    3.760   (#SUP   5.59 )
 &rst
  ixpk= 5, nxpk= 0, iat= 675, 669, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26,  &end
#
#   41 PRO  HA      44 LEU  HB3    4.180   (#SUP   0.69 )
 &rst
  ixpk= 0, nxpk= 0, iat= 675, 720, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68,  &end
#
#   41 PRO  HA      44 LEU  QD1    3.990   (#SUP   0.75 )
 &rst
  ixpk= 0, nxpk= 0, iat= 675,  -1, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,
 igr2= 724, 725, 726,
 &end
#
#   41 PRO  HB2     41 PRO  HB3    2.580   (#SUP   5.98 )
 &rst
  ixpk= 5, nxpk= 0, iat= 672, 673, r1= 1.30, r2= 1.80, r3= 2.58, r4= 3.08,  &end
#
#   41 PRO  HB2     41 PRO  HD3    4.110   (#SUP   6.33 )
 &rst
  ixpk= 6, nxpk= 0, iat= 672, 667, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,  &end
#
#   41 PRO  HB2     41 PRO  HG2    2.920   (#SUP   5.61 )
 &rst
  ixpk= 5, nxpk= 0, iat= 672, 669, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42,  &end
#
#   41 PRO  HB2     41 PRO  HG3    3.480   (#SUP   5.00 )
 &rst
  ixpk= 5, nxpk= 0, iat= 672, 670, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98,  &end
#
#   41 PRO  HB3     41 PRO  HD2    3.740   (#SUP   6.76 )
 &rst
  ixpk= 6, nxpk= 0, iat= 673, 666, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24,  &end
#
#   41 PRO  HB3     41 PRO  HD3    4.330   (#SUP   6.41 )
 &rst
  ixpk= 6, nxpk= 0, iat= 673, 667, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,  &end
#
#   41 PRO  HB3     41 PRO  HG3    3.000   (#SUP   5.31 )
 &rst
  ixpk= 5, nxpk= 0, iat= 673, 670, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   41 PRO  HD2     41 PRO  HD3    2.670   (#SUP   7.27 )
 &rst
  ixpk= 7, nxpk= 0, iat= 666, 667, r1= 1.30, r2= 1.80, r3= 2.67, r4= 3.17,  &end
#
#   41 PRO  HD2     41 PRO  HG2    3.370   (#SUP   6.38 )
 &rst
  ixpk= 6, nxpk= 0, iat= 666, 669, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,  &end
#
#   41 PRO  HD2     41 PRO  HG3    3.460   (#SUP   5.08 )
 &rst
  ixpk= 5, nxpk= 0, iat= 666, 670, r1= 1.30, r2= 1.80, r3= 3.46, r4= 3.96,  &end
#
#   41 PRO  HD3     41 PRO  HG2    3.340   (#SUP   6.02 )
 &rst
  ixpk= 6, nxpk= 0, iat= 667, 669, r1= 1.30, r2= 1.80, r3= 3.34, r4= 3.84,  &end
#
#   41 PRO  HD3     41 PRO  HG3    3.420   (#SUP   5.69 )
 &rst
  ixpk= 5, nxpk= 0, iat= 667, 670, r1= 1.30, r2= 1.80, r3= 3.42, r4= 3.92,  &end
#
#   41 PRO  HG2     41 PRO  HG3    2.400   (#SUP   5.19 )
 &rst
  ixpk= 5, nxpk= 0, iat= 669, 670, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90,  &end
#
#   42 GLN  HA      42 GLN  HB2    3.080   (#SUP   3.86 )
 &rst
  ixpk= 3, nxpk= 0, iat= 681, 683, r1= 1.30, r2= 1.80, r3= 3.08, r4= 3.58,  &end
#
#   42 GLN  HA      42 GLN  HB3    3.360   (#SUP   3.97 )
 &rst
  ixpk= 3, nxpk= 0, iat= 681, 684, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,  &end
#
#   42 GLN  HA      42 GLN  QG     3.390   (#SUP   3.96 )
 &rst
  ixpk= 3, nxpk= 0, iat= 681,  -1, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31,
 igr2= 686, 687,
 &end
#
#   42 GLN  HB3     42 GLN  QG     3.060   (#SUP   3.00 )
 &rst
  ixpk= 3, nxpk= 0, iat= 684,  -1, r1= 1.30, r2= 1.80, r3= 3.43, r4= 3.93,
 igr2= 686, 687,
 &end
#
#   43 LEU  HA      43 LEU  HB2    3.990   (#SUP   5.98 )
 &rst
  ixpk= 5, nxpk= 0, iat= 698, 700, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49,  &end
#
#   43 LEU  HA      43 LEU  HB3    3.460   (#SUP   4.79 )
 &rst
  ixpk= 4, nxpk= 0, iat= 698, 701, r1= 1.30, r2= 1.80, r3= 3.46, r4= 3.96,  &end
#
#   43 LEU  HA      43 LEU  QD1    3.180   (#SUP   5.31 )
 &rst
  ixpk= 5, nxpk= 0, iat= 698,  -1, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32,
 igr2= 705, 706, 707,
 &end
#
#   43 LEU  HA      43 LEU  QD2    4.010   (#SUP   5.31 )
 &rst
  ixpk= 5, nxpk= 0, iat= 698,  -1, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32,
 igr2= 709, 710, 711,
 &end
#
#   43 LEU  HA      46 GLN  HB2    3.810   (#SUP   4.07 )
 &rst
  ixpk= 4, nxpk= 0, iat= 698, 755, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31,  &end
#
#   43 LEU  HA      46 GLN  HB3    3.750   (#SUP   4.10 )
 &rst
  ixpk= 4, nxpk= 0, iat= 698, 756, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25,  &end
#
#   43 LEU  HB2     43 LEU  HB3    2.710   (#SUP   5.77 )
 &rst
  ixpk= 5, nxpk= 0, iat= 700, 701, r1= 1.30, r2= 1.80, r3= 2.71, r4= 3.21,  &end
#
#   43 LEU  HB2     43 LEU  HG     2.960   (#SUP   4.79 )
 &rst
  ixpk= 4, nxpk= 0, iat= 700, 703, r1= 1.30, r2= 1.80, r3= 2.96, r4= 3.46,  &end
#
#   43 LEU  HB2     43 LEU  QD1    3.660   (#SUP   5.31 )
 &rst
  ixpk= 5, nxpk= 0, iat= 700,  -1, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,
 igr2= 705, 706, 707,
 &end
#
#   43 LEU  HB2     43 LEU  QD2    3.860   (#SUP   5.31 )
 &rst
  ixpk= 5, nxpk= 0, iat= 700,  -1, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,
 igr2= 709, 710, 711,
 &end
#
#   43 LEU  HB3     43 LEU  QD2    3.080   (#SUP   5.24 )
 &rst
  ixpk= 5, nxpk= 0, iat= 701,  -1, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
 igr2= 709, 710, 711,
 &end
#
#   43 LEU  HG      43 LEU  QD1    3.170   (#SUP   3.47 )
 &rst
  ixpk= 3, nxpk= 0, iat= 703,  -1, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31,
 igr2= 705, 706, 707,
 &end
#
#   43 LEU  HG      43 LEU  QD2    3.100   (#SUP   4.38 )
 &rst
  ixpk= 4, nxpk= 0, iat= 703,  -1, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22,
 igr2= 709, 710, 711,
 &end
#
#   43 LEU  HG      47 ILE  QD1    3.550   (#SUP   2.15 )
 &rst
  ixpk= 2, nxpk= 0, iat= 703,  -1, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76,
 igr2= 781, 782, 783,
 &end
#
#   43 LEU  QD1     43 LEU  QD2    2.950   (#SUP   5.00 )
 &rst
  ixpk= 5, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75,
 igr1= 705, 706, 707,
 igr2= 709, 710, 711,
 &end
#
#   43 LEU  QD1     46 GLN  HB2    3.860   (#SUP   4.54 )
 &rst
  ixpk= 4, nxpk= 0, iat=  -1, 755, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,
 igr1= 705, 706, 707,
 &end
#
#   43 LEU  QD1     46 GLN  HB3    4.270   (#SUP   4.54 )
 &rst
  ixpk= 4, nxpk= 0, iat=  -1, 756, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63,
 igr1= 705, 706, 707,
 &end
#
#   43 LEU  QD1     47 ILE  HG12   4.130   (#SUP   2.21 )
 &rst
  ixpk= 2, nxpk= 0, iat=  -1, 778, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,
 igr1= 705, 706, 707,
 &end
#
#   43 LEU  QD1     47 ILE  QD1    3.690   (#SUP   6.29 )
 &rst
  ixpk= 6, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82,
 igr1= 705, 706, 707,
 igr2= 781, 782, 783,
 &end
#
#   43 LEU  QD2     47 ILE  QD1    3.780   (#SUP   2.16 )
 &rst
  ixpk= 2, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95,
 igr1= 709, 710, 711,
 igr2= 781, 782, 783,
 &end
#
#   44 LEU  HA      44 LEU  HB2    3.630   (#SUP   5.94 )
 &rst
  ixpk= 5, nxpk= 0, iat= 717, 719, r1= 1.30, r2= 1.80, r3= 3.63, r4= 4.13,  &end
#
#   44 LEU  HA      44 LEU  HB3    3.600   (#SUP   5.94 )
 &rst
  ixpk= 5, nxpk= 0, iat= 717, 720, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,  &end
#
#   44 LEU  HA      44 LEU  HG     3.900   (#SUP   5.28 )
 &rst
  ixpk= 5, nxpk= 0, iat= 717, 722, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40,  &end
#
#   44 LEU  HA      44 LEU  QD1    3.600   (#SUP   5.22 )
 &rst
  ixpk= 5, nxpk= 0, iat= 717,  -1, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82,
 igr2= 724, 725, 726,
 &end
#
#   44 LEU  HA      44 LEU  QD2    2.990   (#SUP   5.76 )
 &rst
  ixpk= 5, nxpk= 0, iat= 717,  -1, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09,
 igr2= 728, 729, 730,
 &end
#
#   44 LEU  HA      47 ILE  HB     3.210   (#SUP   3.83 )
 &rst
  ixpk= 3, nxpk= 0, iat= 717, 772, r1= 1.30, r2= 1.80, r3= 3.21, r4= 3.71,  &end
#
#   44 LEU  HA      47 ILE  QD1    3.620   (#SUP   4.97 )
 &rst
  ixpk= 4, nxpk= 0, iat= 717,  -1, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85,
 igr2= 781, 782, 783,
 &end
#
#   44 LEU  HA      47 ILE  QG2    4.690   (#SUP   3.83 )
 &rst
  ixpk= 3, nxpk= 0, iat= 717,  -1, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13,
 igr2= 774, 775, 776,
 &end
#
#   44 LEU  HB2     44 LEU  HB3    2.710   (#SUP   6.00 )
 &rst
  ixpk= 6, nxpk= 0, iat= 719, 720, r1= 1.30, r2= 1.80, r3= 2.71, r4= 3.21,  &end
#
#   44 LEU  HB2     44 LEU  HG     3.460   (#SUP   5.27 )
 &rst
  ixpk= 5, nxpk= 0, iat= 719, 722, r1= 1.30, r2= 1.80, r3= 3.46, r4= 3.96,  &end
#
#   44 LEU  HB2     44 LEU  QD1    3.250   (#SUP   5.15 )
 &rst
  ixpk= 5, nxpk= 0, iat= 719,  -1, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40,
 igr2= 724, 725, 726,
 &end
#
#   44 LEU  HB2     44 LEU  QD2    3.260   (#SUP   5.78 )
 &rst
  ixpk= 5, nxpk= 0, iat= 719,  -1, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42,
 igr2= 728, 729, 730,
 &end
#
#   44 LEU  HB3     44 LEU  HG     3.580   (#SUP   5.27 )
 &rst
  ixpk= 5, nxpk= 0, iat= 720, 722, r1= 1.30, r2= 1.80, r3= 3.58, r4= 4.08,  &end
#
#   44 LEU  HB3     44 LEU  QD1    3.900   (#SUP   5.15 )
 &rst
  ixpk= 5, nxpk= 0, iat= 720,  -1, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,
 igr2= 724, 725, 726,
 &end
#
#   44 LEU  HB3     44 LEU  QD2    3.420   (#SUP   5.79 )
 &rst
  ixpk= 5, nxpk= 0, iat= 720,  -1, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,
 igr2= 728, 729, 730,
 &end
#
#   44 LEU  HG      44 LEU  QD2    2.920   (#SUP   4.11 )
 &rst
  ixpk= 4, nxpk= 0, iat= 722,  -1, r1= 1.30, r2= 1.80, r3= 3.51, r4= 4.01,
 igr2= 728, 729, 730,
 &end
#
#   44 LEU  QD2     47 ILE  HB     3.550   (#SUP   4.74 )
 &rst
  ixpk= 4, nxpk= 0, iat=  -1, 772, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76,
 igr1= 728, 729, 730,
 &end
#
#   44 LEU  QD2     47 ILE  QD1    3.540   (#SUP   5.83 )
 &rst
  ixpk= 5, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61,
 igr1= 728, 729, 730,
 igr2= 781, 782, 783,
 &end
#
#   44 LEU  QD2     47 ILE  QG2    3.620   (#SUP   4.74 )
 &rst
  ixpk= 4, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
 igr1= 728, 729, 730,
 igr2= 774, 775, 776,
 &end
#
#   45 GLN  HA      45 GLN  HG2    4.080   (#SUP   3.72 )
 &rst
  ixpk= 3, nxpk= 0, iat= 736, 741, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58,  &end
#
#   45 GLN  HA      45 GLN  HG3    4.100   (#SUP   3.65 )
 &rst
  ixpk= 3, nxpk= 0, iat= 736, 742, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,  &end
#
#   45 GLN  HA      45 GLN  QB     2.780   (#SUP   4.62 )
 &rst
  ixpk= 4, nxpk= 0, iat= 736,  -1, r1= 1.30, r2= 1.80, r3= 3.12, r4= 3.62,
 igr2= 738, 739,
 &end
#
#   45 GLN  HG2     45 GLN  HG3    2.400   (#SUP   2.93 )
 &rst
  ixpk= 2, nxpk= 0, iat= 741, 742, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90,  &end
#
#   45 GLN  HG2     45 GLN  QB     2.450   (#SUP   3.50 )
 &rst
  ixpk= 3, nxpk= 0, iat= 741,  -1, r1= 1.30, r2= 1.80, r3= 2.75, r4= 3.25,
 igr2= 738, 739,
 &end
#
#   46 GLN  HA      46 GLN  HB2    3.490   (#SUP   5.03 )
 &rst
  ixpk= 5, nxpk= 0, iat= 753, 755, r1= 1.30, r2= 1.80, r3= 3.49, r4= 3.99,  &end
#
#   46 GLN  HA      46 GLN  HB3    3.380   (#SUP   5.18 )
 &rst
  ixpk= 5, nxpk= 0, iat= 753, 756, r1= 1.30, r2= 1.80, r3= 3.38, r4= 3.88,  &end
#
#   46 GLN  HA      46 GLN  HG2    3.630   (#SUP   5.54 )
 &rst
  ixpk= 5, nxpk= 0, iat= 753, 758, r1= 1.30, r2= 1.80, r3= 3.63, r4= 4.13,  &end
#
#   46 GLN  HA      46 GLN  HG3    3.470   (#SUP   5.31 )
 &rst
  ixpk= 5, nxpk= 0, iat= 753, 759, r1= 1.30, r2= 1.80, r3= 3.47, r4= 3.97,  &end
#
#   46 GLN  HA      49 GLN  HB2    3.740   (#SUP   1.50 )
 &rst
  ixpk= 1, nxpk= 0, iat= 753, 802, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24,  &end
#
#   46 GLN  HA      49 GLN  HB3    4.020   (#SUP   1.50 )
 &rst
  ixpk= 1, nxpk= 0, iat= 753, 803, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52,  &end
#
#   46 GLN  HB3     46 GLN  HG2    3.410   (#SUP   2.94 )
 &rst
  ixpk= 2, nxpk= 0, iat= 756, 758, r1= 1.30, r2= 1.80, r3= 3.41, r4= 3.91,  &end
#
#   47 ILE  HA      47 ILE  HB     3.720   (#SUP   6.21 )
 &rst
  ixpk= 6, nxpk= 0, iat= 770, 772, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22,  &end
#
#   47 ILE  HA      47 ILE  HG12   3.710   (#SUP   5.27 )
 &rst
  ixpk= 5, nxpk= 0, iat= 770, 778, r1= 1.30, r2= 1.80, r3= 3.71, r4= 4.21,  &end
#
#   47 ILE  HA      47 ILE  HG13   3.290   (#SUP   4.43 )
 &rst
  ixpk= 4, nxpk= 0, iat= 770, 779, r1= 1.30, r2= 1.80, r3= 3.29, r4= 3.79,  &end
#
#   47 ILE  HA      47 ILE  QD1    3.710   (#SUP   6.01 )
 &rst
  ixpk= 6, nxpk= 0, iat= 770,  -1, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96,
 igr2= 781, 782, 783,
 &end
#
#   47 ILE  HA      47 ILE  QG2    3.500   (#SUP   6.65 )
 &rst
  ixpk= 6, nxpk= 0, iat= 770,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2= 774, 775, 776,
 &end
#
#   47 ILE  HB      47 ILE  QD1    3.320   (#SUP   5.51 )
 &rst
  ixpk= 5, nxpk= 0, iat= 772,  -1, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49,
 igr2= 781, 782, 783,
 &end
#
#   47 ILE  HB      47 ILE  QG2    3.190   (#SUP   6.82 )
 &rst
  ixpk= 6, nxpk= 0, iat= 772,  -1, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33,
 igr2= 774, 775, 776,
 &end
#
#   47 ILE  HG12    47 ILE  HG13   2.800   (#SUP   3.25 )
 &rst
  ixpk= 3, nxpk= 0, iat= 778, 779, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   47 ILE  HG12    47 ILE  QD1    2.870   (#SUP   5.42 )
 &rst
  ixpk= 5, nxpk= 0, iat= 778,  -1, r1= 1.30, r2= 1.80, r3= 3.45, r4= 3.95,
 igr2= 781, 782, 783,
 &end
#
#   47 ILE  HG12    47 ILE  QG2    3.580   (#SUP   5.89 )
 &rst
  ixpk= 5, nxpk= 0, iat= 778,  -1, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,
 igr2= 774, 775, 776,
 &end
#
#   47 ILE  HG13    47 ILE  QG2    3.840   (#SUP   5.00 )
 &rst
  ixpk= 5, nxpk= 0, iat= 779,  -1, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,
 igr2= 774, 775, 776,
 &end
#
#   47 ILE  QD1     47 ILE  QG2    3.140   (#SUP   6.65 )
 &rst
  ixpk= 6, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
 igr1= 781, 782, 783,
 igr2= 774, 775, 776,
 &end
#
#   47 ILE  QG2     48 SER  HA     4.290   (#SUP   3.91 )
 &rst
  ixpk= 3, nxpk= 0, iat=  -1, 789, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,
 igr1= 774, 775, 776,
 &end
#
#   47 ILE  QG2     54 PHE  HB2    4.200   (#SUP   1.50 )
 &rst
  ixpk= 1, nxpk= 0, iat=  -1, 885, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1= 774, 775, 776,
 &end
#
#   47 ILE  QG2     54 PHE  HB3    3.940   (#SUP   1.50 )
 &rst
  ixpk= 1, nxpk= 0, iat=  -1, 886, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,
 igr1= 774, 775, 776,
 &end
#
#   48 SER  HA      48 SER  HB2    3.150   (#SUP   2.91 )
 &rst
  ixpk= 2, nxpk= 0, iat= 789, 791, r1= 1.30, r2= 1.80, r3= 3.15, r4= 3.65,  &end
#
#   48 SER  HA      51 GLN  HB2    3.920   (#SUP   1.50 )
 &rst
  ixpk= 1, nxpk= 0, iat= 789, 836, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42,  &end
#
#   48 SER  HA      51 GLN  HB3    4.590   (#SUP   1.50 )
 &rst
  ixpk= 1, nxpk= 0, iat= 789, 837, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09,  &end
#
#   48 SER  HA      51 GLN  QG     3.620   (#SUP   1.49 )
 &rst
  ixpk= 1, nxpk= 0, iat= 789,  -1, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56,
 igr2= 839, 840,
 &end
#
#   49 GLN  HA      49 GLN  HB2    3.440   (#SUP   5.00 )
 &rst
  ixpk= 5, nxpk= 0, iat= 800, 802, r1= 1.30, r2= 1.80, r3= 3.44, r4= 3.94,  &end
#
#   49 GLN  HA      49 GLN  HB3    3.320   (#SUP   5.00 )
 &rst
  ixpk= 5, nxpk= 0, iat= 800, 803, r1= 1.30, r2= 1.80, r3= 3.32, r4= 3.82,  &end
#
#   49 GLN  HA      49 GLN  HG2    3.790   (#SUP   4.61 )
 &rst
  ixpk= 4, nxpk= 0, iat= 800, 805, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29,  &end
#
#   49 GLN  HA      49 GLN  HG3    3.710   (#SUP   5.08 )
 &rst
  ixpk= 5, nxpk= 0, iat= 800, 806, r1= 1.30, r2= 1.80, r3= 3.71, r4= 4.21,  &end
#
#   49 GLN  HB2     49 GLN  HB3    2.460   (#SUP   5.00 )
 &rst
  ixpk= 5, nxpk= 0, iat= 802, 803, r1= 1.30, r2= 1.80, r3= 2.46, r4= 2.96,  &end
#
#   49 GLN  HB2     49 GLN  HG2    3.670   (#SUP   4.61 )
 &rst
  ixpk= 4, nxpk= 0, iat= 802, 805, r1= 1.30, r2= 1.80, r3= 3.67, r4= 4.17,  &end
#
#   49 GLN  HB2     49 GLN  HG3    3.160   (#SUP   5.08 )
 &rst
  ixpk= 5, nxpk= 0, iat= 802, 806, r1= 1.30, r2= 1.80, r3= 3.16, r4= 3.66,  &end
#
#   49 GLN  HB3     49 GLN  HG2    3.460   (#SUP   4.61 )
 &rst
  ixpk= 4, nxpk= 0, iat= 803, 805, r1= 1.30, r2= 1.80, r3= 3.46, r4= 3.96,  &end
#
#   49 GLN  HB3     49 GLN  HG3    3.350   (#SUP   5.08 )
 &rst
  ixpk= 5, nxpk= 0, iat= 803, 806, r1= 1.30, r2= 1.80, r3= 3.35, r4= 3.85,  &end
#
#   50 HIS  HA      50 HIS  HB2    3.460   (#SUP   3.00 )
 &rst
  ixpk= 3, nxpk= 0, iat= 817, 819, r1= 1.30, r2= 1.80, r3= 3.46, r4= 3.96,  &end
#
#   50 HIS  HA      50 HIS  HB3    3.670   (#SUP   3.00 )
 &rst
  ixpk= 3, nxpk= 0, iat= 817, 820, r1= 1.30, r2= 1.80, r3= 3.67, r4= 4.17,  &end
#
#   50 HIS  HB2     50 HIS  HB3    2.710   (#SUP   3.00 )
 &rst
  ixpk= 3, nxpk= 0, iat= 819, 820, r1= 1.30, r2= 1.80, r3= 2.71, r4= 3.21,  &end
#
#   51 GLN  HA      51 GLN  HB2    3.350   (#SUP   4.20 )
 &rst
  ixpk= 4, nxpk= 0, iat= 834, 836, r1= 1.30, r2= 1.80, r3= 3.35, r4= 3.85,  &end
#
#   51 GLN  HA      51 GLN  HB3    3.440   (#SUP   4.77 )
 &rst
  ixpk= 4, nxpk= 0, iat= 834, 837, r1= 1.30, r2= 1.80, r3= 3.44, r4= 3.94,  &end
#
#   51 GLN  HA      51 GLN  QG     3.410   (#SUP   4.89 )
 &rst
  ixpk= 4, nxpk= 0, iat= 834,  -1, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33,
 igr2= 839, 840,
 &end
#
#   51 GLN  HA      54 PHE  HB2    3.600   (#SUP   2.30 )
 &rst
  ixpk= 2, nxpk= 0, iat= 834, 885, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,  &end
#
#   51 GLN  HA      54 PHE  HB3    3.670   (#SUP   2.30 )
 &rst
  ixpk= 2, nxpk= 0, iat= 834, 886, r1= 1.30, r2= 1.80, r3= 3.67, r4= 4.17,  &end
#
#   51 GLN  HB2     51 GLN  HB3    2.520   (#SUP   5.17 )
 &rst
  ixpk= 5, nxpk= 0, iat= 836, 837, r1= 1.30, r2= 1.80, r3= 2.52, r4= 3.02,  &end
#
#   51 GLN  HB2     51 GLN  QG     2.920   (#SUP   5.57 )
 &rst
  ixpk= 5, nxpk= 0, iat= 836,  -1, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78,
 igr2= 839, 840,
 &end
#
#   51 GLN  HB3     51 GLN  QG     3.040   (#SUP   5.50 )
 &rst
  ixpk= 5, nxpk= 0, iat= 837,  -1, r1= 1.30, r2= 1.80, r3= 3.41, r4= 3.91,
 igr2= 839, 840,
 &end
#
#   51 GLN  QG      55 ILE  QD1    4.170   (#SUP   2.31 )
 &rst
  ixpk= 2, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.62, r4= 6.12,
 igr1= 839, 840,
 igr2= 914, 915, 916,
 &end
#
#   52 GLU- HA      52 GLU- HB2    3.130   (#SUP   3.97 )
 &rst
  ixpk= 3, nxpk= 0, iat= 851, 853, r1= 1.30, r2= 1.80, r3= 3.13, r4= 3.63,  &end
#
#   52 GLU- HA      52 GLU- HB3    3.150   (#SUP   3.94 )
 &rst
  ixpk= 3, nxpk= 0, iat= 851, 854, r1= 1.30, r2= 1.80, r3= 3.15, r4= 3.65,  &end
#
#   52 GLU- HA      52 GLU- QG     3.490   (#SUP   3.76 )
 &rst
  ixpk= 3, nxpk= 0, iat= 851,  -1, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42,
 igr2= 856, 857,
 &end
#
#   52 GLU- HA      55 ILE  HB     3.500   (#SUP   1.25 )
 &rst
  ixpk= 1, nxpk= 0, iat= 851, 905, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   52 GLU- HA      55 ILE  QD1    3.650   (#SUP   2.48 )
 &rst
  ixpk= 2, nxpk= 0, iat= 851,  -1, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,
 igr2= 914, 915, 916,
 &end
#
#   52 GLU- HB2     52 GLU- QG     2.860   (#SUP   3.72 )
 &rst
  ixpk= 3, nxpk= 0, iat= 853,  -1, r1= 1.30, r2= 1.80, r3= 3.21, r4= 3.71,
 igr2= 856, 857,
 &end
#
#   52 GLU- HB3     52 GLU- QG     2.980   (#SUP   3.70 )
 &rst
  ixpk= 3, nxpk= 0, iat= 854,  -1, r1= 1.30, r2= 1.80, r3= 3.34, r4= 3.84,
 igr2= 856, 857,
 &end
#
#   53 HIS  HA      53 HIS  QB     3.290   (#SUP   2.00 )
 &rst
  ixpk= 2, nxpk= 0, iat= 866,  -1, r1= 1.30, r2= 1.80, r3= 3.69, r4= 4.19,
 igr2= 868, 869,
 &end
#
#   53 HIS  HA      56 GLN  QB     3.160   (#SUP   0.75 )
 &rst
  ixpk= 0, nxpk= 0, iat= 866,  -1, r1= 1.30, r2= 1.80, r3= 3.55, r4= 4.05,
 igr2= 924, 925,
 &end
#
#   54 PHE  HA      54 PHE  HB2    3.660   (#SUP   3.00 )
 &rst
  ixpk= 3, nxpk= 0, iat= 883, 885, r1= 1.30, r2= 1.80, r3= 3.66, r4= 4.16,  &end
#
#   54 PHE  HA      54 PHE  HB3    3.440   (#SUP   3.00 )
 &rst
  ixpk= 3, nxpk= 0, iat= 883, 886, r1= 1.30, r2= 1.80, r3= 3.44, r4= 3.94,  &end
#
#   54 PHE  HA      57 MET  HB2    3.810   (#SUP   1.74 )
 &rst
  ixpk= 1, nxpk= 0, iat= 883, 941, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31,  &end
#
#   54 PHE  HA      57 MET  HB3    4.630   (#SUP   1.74 )
 &rst
  ixpk= 1, nxpk= 0, iat= 883, 942, r1= 1.30, r2= 1.80, r3= 4.63, r4= 5.13,  &end
#
#   54 PHE  HA      58 LEU  HB2    4.510   (#SUP   1.98 )
 &rst
  ixpk= 1, nxpk= 0, iat= 883, 958, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01,  &end
#
#   54 PHE  HB2     54 PHE  HB3    2.740   (#SUP   3.00 )
 &rst
  ixpk= 3, nxpk= 0, iat= 885, 886, r1= 1.30, r2= 1.80, r3= 2.74, r4= 3.24,  &end
#
#   55 ILE  HA      55 ILE  HB     3.570   (#SUP   6.27 )
 &rst
  ixpk= 6, nxpk= 0, iat= 903, 905, r1= 1.30, r2= 1.80, r3= 3.57, r4= 4.07,  &end
#
#   55 ILE  HA      55 ILE  HG12   3.540   (#SUP   6.00 )
 &rst
  ixpk= 6, nxpk= 0, iat= 903, 911, r1= 1.30, r2= 1.80, r3= 3.54, r4= 4.04,  &end
#
#   55 ILE  HA      55 ILE  HG13   3.440   (#SUP   5.31 )
 &rst
  ixpk= 5, nxpk= 0, iat= 903, 912, r1= 1.30, r2= 1.80, r3= 3.44, r4= 3.94,  &end
#
#   55 ILE  HA      55 ILE  QD1    3.590   (#SUP   4.91 )
 &rst
  ixpk= 4, nxpk= 0, iat= 903,  -1, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81,
 igr2= 914, 915, 916,
 &end
#
#   55 ILE  HA      55 ILE  QG2    3.110   (#SUP   4.92 )
 &rst
  ixpk= 4, nxpk= 0, iat= 903,  -1, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23,
 igr2= 907, 908, 909,
 &end
#
#   55 ILE  HA      58 LEU  HB2    3.750   (#SUP   2.97 )
 &rst
  ixpk= 2, nxpk= 0, iat= 903, 958, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25,  &end
#
#   55 ILE  HA      58 LEU  HB3    4.550   (#SUP   2.25 )
 &rst
  ixpk= 2, nxpk= 0, iat= 903, 959, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05,  &end
#
#   55 ILE  HA      58 LEU  QD1    3.500   (#SUP   4.64 )
 &rst
  ixpk= 4, nxpk= 0, iat= 903,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2= 963, 964, 965,
 &end
#
#   55 ILE  HB      55 ILE  HG12   3.090   (#SUP   6.27 )
 &rst
  ixpk= 6, nxpk= 0, iat= 905, 911, r1= 1.30, r2= 1.80, r3= 3.09, r4= 3.59,  &end
#
#   55 ILE  HB      55 ILE  HG13   3.440   (#SUP   5.59 )
 &rst
  ixpk= 5, nxpk= 0, iat= 905, 912, r1= 1.30, r2= 1.80, r3= 3.44, r4= 3.94,  &end
#
#   55 ILE  HB      55 ILE  QD1    3.430   (#SUP   5.39 )
 &rst
  ixpk= 5, nxpk= 0, iat= 905,  -1, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62,
 igr2= 914, 915, 916,
 &end
#
#   55 ILE  HB      55 ILE  QG2    2.880   (#SUP   5.19 )
 &rst
  ixpk= 5, nxpk= 0, iat= 905,  -1, r1= 1.30, r2= 1.80, r3= 3.46, r4= 3.96,
 igr2= 907, 908, 909,
 &end
#
#   55 ILE  HB      58 LEU  QD1    4.330   (#SUP   1.49 )
 &rst
  ixpk= 1, nxpk= 0, iat= 905,  -1, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,
 igr2= 963, 964, 965,
 &end
#
#   55 ILE  HG12    55 ILE  HG13   2.620   (#SUP   5.31 )
 &rst
  ixpk= 5, nxpk= 0, iat= 911, 912, r1= 1.30, r2= 1.80, r3= 2.62, r4= 3.12,  &end
#
#   55 ILE  HG12    55 ILE  QD1    3.040   (#SUP   4.79 )
 &rst
  ixpk= 4, nxpk= 0, iat= 911,  -1, r1= 1.30, r2= 1.80, r3= 3.65, r4= 4.15,
 igr2= 914, 915, 916,
 &end
#
#   55 ILE  HG12    55 ILE  QG2    3.510   (#SUP   5.04 )
 &rst
  ixpk= 5, nxpk= 0, iat= 911,  -1, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72,
 igr2= 907, 908, 909,
 &end
#
#   55 ILE  HG13    55 ILE  QD1    3.000   (#SUP   4.53 )
 &rst
  ixpk= 4, nxpk= 0, iat= 912,  -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr2= 914, 915, 916,
 &end
#
#   55 ILE  HG13    55 ILE  QG2    3.390   (#SUP   4.34 )
 &rst
  ixpk= 4, nxpk= 0, iat= 912,  -1, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57,
 igr2= 907, 908, 909,
 &end
#
#   55 ILE  QD1     58 LEU  QD1    4.340   (#SUP   1.44 )
 &rst
  ixpk= 1, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.26, r4= 6.76,
 igr1= 914, 915, 916,
 igr2= 963, 964, 965,
 &end
#
#   55 ILE  QG2     56 GLN  HA     3.560   (#SUP   3.71 )
 &rst
  ixpk= 3, nxpk= 0, iat=  -1, 922, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78,
 igr1= 907, 908, 909,
 &end
#
#   56 GLN  HA      56 GLN  HG2    3.720   (#SUP   3.34 )
 &rst
  ixpk= 3, nxpk= 0, iat= 922, 927, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22,  &end
#
#   56 GLN  HA      56 GLN  HG3    3.900   (#SUP   3.34 )
 &rst
  ixpk= 3, nxpk= 0, iat= 922, 928, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40,  &end
#
#   56 GLN  HA      56 GLN  QB     3.030   (#SUP   3.35 )
 &rst
  ixpk= 3, nxpk= 0, iat= 922,  -1, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90,
 igr2= 924, 925,
 &end
#
#   56 GLN  HA      59 ASN  HB3    3.930   (#SUP   0.75 )
 &rst
  ixpk= 0, nxpk= 0, iat= 922, 978, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,  &end
#
#   57 MET  HA      57 MET  HB2    3.860   (#SUP   4.85 )
 &rst
  ixpk= 4, nxpk= 0, iat= 939, 941, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36,  &end
#
#   57 MET  HA      57 MET  HB3    3.380   (#SUP   4.90 )
 &rst
  ixpk= 4, nxpk= 0, iat= 939, 942, r1= 1.30, r2= 1.80, r3= 3.38, r4= 3.88,  &end
#
#   57 MET  HA      57 MET  HG2    3.380   (#SUP   3.93 )
 &rst
  ixpk= 3, nxpk= 0, iat= 939, 944, r1= 1.30, r2= 1.80, r3= 3.38, r4= 3.88,  &end
#
#   57 MET  HA      57 MET  HG3    3.600   (#SUP   4.57 )
 &rst
  ixpk= 4, nxpk= 0, iat= 939, 945, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,  &end
#
#   57 MET  HA      60 GLU- HG2    4.200   (#SUP   1.50 )
 &rst
  ixpk= 1, nxpk= 0, iat= 939, 994, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,  &end
#
#   57 MET  HA      60 GLU- HG3    4.660   (#SUP   1.50 )
 &rst
  ixpk= 1, nxpk= 0, iat= 939, 995, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,  &end
#
#   57 MET  HB2     57 MET  HB3    2.730   (#SUP   2.96 )
 &rst
  ixpk= 2, nxpk= 0, iat= 941, 942, r1= 1.30, r2= 1.80, r3= 2.73, r4= 3.23,  &end
#
#   58 LEU  HA      58 LEU  HB2    3.710   (#SUP   6.31 )
 &rst
  ixpk= 6, nxpk= 0, iat= 956, 958, r1= 1.30, r2= 1.80, r3= 3.71, r4= 4.21,  &end
#
#   58 LEU  HA      58 LEU  HB3    3.540   (#SUP   5.98 )
 &rst
  ixpk= 5, nxpk= 0, iat= 956, 959, r1= 1.30, r2= 1.80, r3= 3.54, r4= 4.04,  &end
#
#   58 LEU  HA      58 LEU  HG     3.640   (#SUP   5.27 )
 &rst
  ixpk= 5, nxpk= 0, iat= 956, 961, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14,  &end
#
#   58 LEU  HA      58 LEU  QD1    4.320   (#SUP   5.37 )
 &rst
  ixpk= 5, nxpk= 0, iat= 956,  -1, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,
 igr2= 963, 964, 965,
 &end
#
#   58 LEU  HA      58 LEU  QD2    3.200   (#SUP   5.41 )
 &rst
  ixpk= 5, nxpk= 0, iat= 956,  -1, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34,
 igr2= 967, 968, 969,
 &end
#
#   58 LEU  HB2     58 LEU  HB3    2.730   (#SUP   6.28 )
 &rst
  ixpk= 6, nxpk= 0, iat= 958, 959, r1= 1.30, r2= 1.80, r3= 2.73, r4= 3.23,  &end
#
#   58 LEU  HB2     58 LEU  HG     3.370   (#SUP   5.57 )
 &rst
  ixpk= 5, nxpk= 0, iat= 958, 961, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,  &end
#
#   58 LEU  HB2     58 LEU  QD1    3.190   (#SUP   5.67 )
 &rst
  ixpk= 5, nxpk= 0, iat= 958,  -1, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33,
 igr2= 963, 964, 965,
 &end
#
#   58 LEU  HB2     58 LEU  QD2    4.080   (#SUP   5.71 )
 &rst
  ixpk= 5, nxpk= 0, iat= 958,  -1, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,
 igr2= 967, 968, 969,
 &end
#
#   58 LEU  HB3     58 LEU  QD2    3.460   (#SUP   4.40 )
 &rst
  ixpk= 4, nxpk= 0, iat= 959,  -1, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66,
 igr2= 967, 968, 969,
 &end
#
#   58 LEU  HG      58 LEU  QD1    2.620   (#SUP   4.90 )
 &rst
  ixpk= 4, nxpk= 0, iat= 961,  -1, r1= 1.30, r2= 1.80, r3= 3.15, r4= 3.65,
 igr2= 963, 964, 965,
 &end
#
#   58 LEU  HG      58 LEU  QD2    3.360   (#SUP   4.96 )
 &rst
  ixpk= 4, nxpk= 0, iat= 961,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr2= 967, 968, 969,
 &end
#
#   59 ASN  HA      59 ASN  HB2    3.290   (#SUP   3.62 )
 &rst
  ixpk= 3, nxpk= 0, iat= 975, 977, r1= 1.30, r2= 1.80, r3= 3.29, r4= 3.79,  &end
#
#   59 ASN  HA      59 ASN  HB3    3.410   (#SUP   3.31 )
 &rst
  ixpk= 3, nxpk= 0, iat= 975, 978, r1= 1.30, r2= 1.80, r3= 3.41, r4= 3.91,  &end
#
#   59 ASN  HB2     59 ASN  HB3    2.450   (#SUP   4.97 )
 &rst
  ixpk= 4, nxpk= 0, iat= 977, 978, r1= 1.30, r2= 1.80, r3= 2.45, r4= 2.95,  &end
#
#   60 GLU- HA      60 GLU- HG2    4.160   (#SUP   4.44 )
 &rst
  ixpk= 4, nxpk= 0, iat= 989, 994, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66,  &end
#
#   60 GLU- HA      60 GLU- HG3    3.540   (#SUP   3.87 )
 &rst
  ixpk= 3, nxpk= 0, iat= 989, 995, r1= 1.30, r2= 1.80, r3= 3.54, r4= 4.04,  &end
#
#   60 GLU- HA      60 GLU- QB     3.320   (#SUP   4.75 )
 &rst
  ixpk= 4, nxpk= 0, iat= 989,  -1, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23,
 igr2= 991, 992,
 &end
#
#   60 GLU- HA      61 PRO  HD2    3.120   (#SUP   4.39 )
 &rst
  ixpk= 4, nxpk= 0, iat= 989,1003, r1= 1.30, r2= 1.80, r3= 3.12, r4= 3.62,  &end
#
#   60 GLU- HA      61 PRO  HD3    3.230   (#SUP   5.49 )
 &rst
  ixpk= 5, nxpk= 0, iat= 989,1004, r1= 1.30, r2= 1.80, r3= 3.23, r4= 3.73,  &end
#
#   60 GLU- HG2     60 GLU- HG3    2.460   (#SUP   3.31 )
 &rst
  ixpk= 3, nxpk= 0, iat= 994, 995, r1= 1.30, r2= 1.80, r3= 2.46, r4= 2.96,  &end
#
#   60 GLU- HG2     60 GLU- QB     3.300   (#SUP   4.30 )
 &rst
  ixpk= 4, nxpk= 0, iat= 994,  -1, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
 igr2= 991, 992,
 &end
#
#   60 GLU- HG2     61 PRO  HD3    5.350   (#SUP   5.05 )
 &rst
  ixpk= 5, nxpk= 0, iat= 994,1004, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85,  &end
#
#   60 GLU- HG3     60 GLU- QB     3.160   (#SUP   3.61 )
 &rst
  ixpk= 3, nxpk= 0, iat= 995,  -1, r1= 1.30, r2= 1.80, r3= 3.55, r4= 4.05,
 igr2= 991, 992,
 &end
#
#   60 GLU- QB      61 PRO  HD3    3.550   (#SUP   4.91 )
 &rst
  ixpk= 4, nxpk= 0, iat=  -1,1004, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48,
 igr1= 991, 992,
 &end
#
#   61 PRO  HA      61 PRO  HB2    3.340   (#SUP   5.25 )
 &rst
  ixpk= 5, nxpk= 0, iat=1012,1009, r1= 1.30, r2= 1.80, r3= 3.34, r4= 3.84,  &end
#
#   61 PRO  HA      61 PRO  HB3    3.610   (#SUP   5.25 )
 &rst
  ixpk= 5, nxpk= 0, iat=1012,1010, r1= 1.30, r2= 1.80, r3= 3.61, r4= 4.11,  &end
#
#   61 PRO  HA      61 PRO  QG     3.450   (#SUP   4.58 )
 &rst
  ixpk= 4, nxpk= 0, iat=1012,  -1, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37,
 igr2=1006,1007,
 &end
#
#   61 PRO  HA      62 VAL  QG1    4.610   (#SUP   2.93 )
 &rst
  ixpk= 2, nxpk= 0, iat=1012,  -1, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,
 igr2=1022,1023,1024,
 &end
#
#   61 PRO  HB2     61 PRO  HB3    2.540   (#SUP   5.00 )
 &rst
  ixpk= 5, nxpk= 0, iat=1009,1010, r1= 1.30, r2= 1.80, r3= 2.54, r4= 3.04,  &end
#
#   61 PRO  HB2     61 PRO  HD2    4.040   (#SUP   5.07 )
 &rst
  ixpk= 5, nxpk= 0, iat=1009,1003, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,  &end
#
#   61 PRO  HB2     61 PRO  HD3    3.940   (#SUP   5.71 )
 &rst
  ixpk= 5, nxpk= 0, iat=1009,1004, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44,  &end
#
#   61 PRO  HB2     61 PRO  QG     2.620   (#SUP   4.31 )
 &rst
  ixpk= 4, nxpk= 0, iat=1009,  -1, r1= 1.30, r2= 1.80, r3= 2.94, r4= 3.44,
 igr2=1006,1007,
 &end
#
#   61 PRO  HB3     61 PRO  HD2    4.490   (#SUP   5.07 )
 &rst
  ixpk= 5, nxpk= 0, iat=1010,1003, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,  &end
#
#   61 PRO  HB3     61 PRO  HD3    3.800   (#SUP   5.71 )
 &rst
  ixpk= 5, nxpk= 0, iat=1010,1004, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30,  &end
#
#   61 PRO  HB3     61 PRO  QG     2.750   (#SUP   4.31 )
 &rst
  ixpk= 4, nxpk= 0, iat=1010,  -1, r1= 1.30, r2= 1.80, r3= 3.09, r4= 3.59,
 igr2=1006,1007,
 &end
#
#   61 PRO  HD2     61 PRO  HD3    2.640   (#SUP   5.62 )
 &rst
  ixpk= 5, nxpk= 0, iat=1003,1004, r1= 1.30, r2= 1.80, r3= 2.64, r4= 3.14,  &end
#
#   61 PRO  HD2     61 PRO  QG     3.020   (#SUP   4.76 )
 &rst
  ixpk= 4, nxpk= 0, iat=1003,  -1, r1= 1.30, r2= 1.80, r3= 3.39, r4= 3.89,
 igr2=1006,1007,
 &end
#
#   61 PRO  HD3     61 PRO  QG     2.950   (#SUP   5.39 )
 &rst
  ixpk= 5, nxpk= 0, iat=1004,  -1, r1= 1.30, r2= 1.80, r3= 3.31, r4= 3.81,
 igr2=1006,1007,
 &end
#
#   62 VAL  HA      62 VAL  HB     3.620   (#SUP   3.75 )
 &rst
  ixpk= 3, nxpk= 0, iat=1018,1020, r1= 1.30, r2= 1.80, r3= 3.62, r4= 4.12,  &end
#
#   62 VAL  HA      62 VAL  QG1    3.730   (#SUP   3.54 )
 &rst
  ixpk= 3, nxpk= 0, iat=1018,  -1, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98,
 igr2=1022,1023,1024,
 &end
#
#   62 VAL  HA      62 VAL  QG2    3.480   (#SUP   3.47 )
 &rst
  ixpk= 3, nxpk= 0, iat=1018,  -1, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68,
 igr2=1026,1027,1028,
 &end
#
#   62 VAL  HB      62 VAL  QG1    3.000   (#SUP   3.47 )
 &rst
  ixpk= 3, nxpk= 0, iat=1020,  -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr2=1022,1023,1024,
 &end
#
#   62 VAL  HB      62 VAL  QG2    3.220   (#SUP   3.22 )
 &rst
  ixpk= 3, nxpk= 0, iat=1020,  -1, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37,
 igr2=1026,1027,1028,
 &end
#
#   62 VAL  QG2     63 GLN  HG3    5.390   (#SUP   2.84 )
 &rst
  ixpk= 2, nxpk= 0, iat=  -1,1040, r1= 1.30, r2= 1.80, r3= 6.47, r4= 6.97,
 igr1=1026,1027,1028,
 &end
#
#   63 GLN  HA      63 GLN  HB2    3.560   (#SUP   3.08 )
 &rst
  ixpk= 3, nxpk= 0, iat=1034,1036, r1= 1.30, r2= 1.80, r3= 3.56, r4= 4.06,  &end
#
#   63 GLN  HA      63 GLN  HB3    4.090   (#SUP   3.25 )
 &rst
  ixpk= 3, nxpk= 0, iat=1034,1037, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59,  &end
#
#   63 GLN  HA      63 GLN  HG3    4.100   (#SUP   3.52 )
 &rst
  ixpk= 3, nxpk= 0, iat=1034,1040, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,  &end
#
#   63 GLN  HB2     63 GLN  HG3    2.800   (#SUP   2.98 )
 &rst
  ixpk= 2, nxpk= 0, iat=1036,1040, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   63 GLN  HB3     63 GLN  HG3    3.170   (#SUP   3.14 )
 &rst
  ixpk= 3, nxpk= 0, iat=1037,1040, r1= 1.30, r2= 1.80, r3= 3.17, r4= 3.67,  &end
#
#   64 GLU- HA      64 GLU- HB2    3.720   (#SUP   3.51 )
 &rst
  ixpk= 3, nxpk= 0, iat=1051,1053, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22,  &end
#
#   64 GLU- HA      64 GLU- HB3    3.780   (#SUP   3.31 )
 &rst
  ixpk= 3, nxpk= 0, iat=1051,1054, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,  &end
#
#   64 GLU- HA      64 GLU- QG     4.400   (#SUP   2.61 )
 &rst
  ixpk= 2, nxpk= 0, iat=1051,  -1, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
 igr2=1056,1057,
 &end
#
#   64 GLU- HB2     64 GLU- HB3    2.400   (#SUP   3.19 )
 &rst
  ixpk= 3, nxpk= 0, iat=1053,1054, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90,  &end
#
#   64 GLU- HB2     64 GLU- QG     2.550   (#SUP   2.50 )
 &rst
  ixpk= 2, nxpk= 0, iat=1053,  -1, r1= 1.30, r2= 1.80, r3= 2.86, r4= 3.36,
 igr2=1056,1057,
 &end
#
#   64 GLU- HB3     64 GLU- QG     2.900   (#SUP   2.31 )
 &rst
  ixpk= 2, nxpk= 0, iat=1054,  -1, r1= 1.30, r2= 1.80, r3= 3.26, r4= 3.76,
 igr2=1056,1057,
 &end
#
#   65 ALA  HA      65 ALA  QB     3.690   (#SUP   1.00 )
 &rst
  ixpk= 1, nxpk= 0, iat=1066,  -1, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93,
 igr2=1068,1069,1070,
 &end
#
#    5 PRO  HA       6 LEU  HN     4.180   (#SUP   4.38 )
 &rst
  ixpk= 4, nxpk= 0, iat=  66,  70, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68,  &end
#
#    6 LEU  HA       6 LEU  HN     4.560   (#SUP   5.02 )
 &rst
  ixpk= 5, nxpk= 0, iat=  72,  70, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06,  &end
#
#    6 LEU  HA       7 GLU- HN     5.500   (#SUP   3.66 )
 &rst
  ixpk= 3, nxpk= 0, iat=  72,  89, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    6 LEU  HB2      6 LEU  HN     4.720   (#SUP   4.78 )
 &rst
  ixpk= 4, nxpk= 0, iat=  74,  70, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,  &end
#
#    6 LEU  HB3      6 LEU  HN     4.260   (#SUP   4.29 )
 &rst
  ixpk= 4, nxpk= 0, iat=  75,  70, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76,  &end
#
#    6 LEU  HN       6 LEU  QD2    4.700   (#SUP   5.11 )
 &rst
  ixpk= 5, nxpk= 0, iat=  70,  -1, r1= 1.30, r2= 1.80, r3= 5.64, r4= 6.14,
 igr2=  83,  84,  85,
 &end
#
#    6 LEU  HN       7 GLU- HN     4.620   (#SUP   3.44 )
 &rst
  ixpk= 3, nxpk= 0, iat=  70,  89, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,  &end
#
#    6 LEU  QD1     50 HIS  HN     5.150   (#SUP   1.50 )
 &rst
  ixpk= 1, nxpk= 0, iat=  -1, 815, r1= 1.30, r2= 1.80, r3= 6.18, r4= 6.68,
 igr1=  79,  80,  81,
 &end
#
#    6 LEU  QD1     54 PHE  HN     4.830   (#SUP   3.00 )
 &rst
  ixpk= 3, nxpk= 0, iat=  -1, 881, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
 igr1=  79,  80,  81,
 &end
#
#    6 LEU  QD2     46 GLN  HN     5.500   (#SUP   3.46 )
 &rst
  ixpk= 3, nxpk= 0, iat=  -1, 751, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=  83,  84,  85,
 &end
#
#    6 LEU  QD2     47 ILE  HN     5.030   (#SUP   4.34 )
 &rst
  ixpk= 4, nxpk= 0, iat=  -1, 768, r1= 1.30, r2= 1.80, r3= 6.04, r4= 6.54,
 igr1=  83,  84,  85,
 &end
#
#    7 GLU- HA       7 GLU- HN     4.370   (#SUP   4.75 )
 &rst
  ixpk= 4, nxpk= 0, iat=  91,  89, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87,  &end
#
#    7 GLU- HA       8 PHE  HN     5.420   (#SUP   4.82 )
 &rst
  ixpk= 4, nxpk= 0, iat=  91, 104, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,  &end
#
#    7 GLU- HA       9 LEU  HN     4.930   (#SUP   4.25 )
 &rst
  ixpk= 4, nxpk= 0, iat=  91, 124, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43,  &end
#
#    7 GLU- HA      10 ARG+ HN     5.040   (#SUP   1.50 )
 &rst
  ixpk= 1, nxpk= 0, iat=  91, 143, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,  &end
#
#    7 GLU- HB2      7 GLU- HN     4.150   (#SUP   3.94 )
 &rst
  ixpk= 3, nxpk= 0, iat=  93,  89, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65,  &end
#
#    7 GLU- HB3      7 GLU- HN     4.220   (#SUP   4.68 )
 &rst
  ixpk= 4, nxpk= 0, iat=  94,  89, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72,  &end
#
#    7 GLU- HB3      8 PHE  HN     4.930   (#SUP   3.39 )
 &rst
  ixpk= 3, nxpk= 0, iat=  94, 104, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43,  &end
#
#    7 GLU- HN       7 GLU- QG     4.160   (#SUP   4.04 )
 &rst
  ixpk= 4, nxpk= 0, iat=  89,  -1, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,
 igr2=  96,  97,
 &end
#
#    7 GLU- HN       8 PHE  HN     4.130   (#SUP   3.58 )
 &rst
  ixpk= 3, nxpk= 0, iat=  89, 104, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63,  &end
#
#    8 PHE  HA       8 PHE  HN     4.330   (#SUP   3.92 )
 &rst
  ixpk= 3, nxpk= 0, iat= 106, 104, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,  &end
#
#    8 PHE  HA       9 LEU  HN     5.230   (#SUP   5.09 )
 &rst
  ixpk= 5, nxpk= 0, iat= 106, 124, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73,  &end
#
#    8 PHE  HB2      8 PHE  HN     4.280   (#SUP   3.92 )
 &rst
  ixpk= 3, nxpk= 0, iat= 108, 104, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78,  &end
#
#    8 PHE  HB2      9 LEU  HN     5.360   (#SUP   5.09 )
 &rst
  ixpk= 5, nxpk= 0, iat= 108, 124, r1= 1.30, r2= 1.80, r3= 5.36, r4= 5.86,  &end
#
#    8 PHE  HB3      8 PHE  HN     4.140   (#SUP   3.92 )
 &rst
  ixpk= 3, nxpk= 0, iat= 109, 104, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64,  &end
#
#    8 PHE  HB3      9 LEU  HN     4.990   (#SUP   5.09 )
 &rst
  ixpk= 5, nxpk= 0, iat= 109, 124, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49,  &end
#
#    8 PHE  HN       9 LEU  HN     4.430   (#SUP   5.71 )
 &rst
  ixpk= 5, nxpk= 0, iat= 104, 124, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93,  &end
#
#    9 LEU  HA       9 LEU  HN     4.060   (#SUP   7.93 )
 &rst
  ixpk= 7, nxpk= 0, iat= 126, 124, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56,  &end
#
#    9 LEU  HA      10 ARG+ HN     4.640   (#SUP   5.16 )
 &rst
  ixpk= 5, nxpk= 0, iat= 126, 143, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,  &end
#
#    9 LEU  HA      12 GLN  HN     5.140   (#SUP   2.97 )
 &rst
  ixpk= 2, nxpk= 0, iat= 126, 181, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,  &end
#
#    9 LEU  HB2      9 LEU  HN     3.880   (#SUP   7.56 )
 &rst
  ixpk= 7, nxpk= 0, iat= 128, 124, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38,  &end
#
#    9 LEU  HB2     10 ARG+ HN     4.890   (#SUP   4.18 )
 &rst
  ixpk= 4, nxpk= 0, iat= 128, 143, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39,  &end
#
#    9 LEU  HB3      9 LEU  HN     4.410   (#SUP   7.32 )
 &rst
  ixpk= 7, nxpk= 0, iat= 129, 124, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,  &end
#
#    9 LEU  HB3     10 ARG+ HN     5.080   (#SUP   3.82 )
 &rst
  ixpk= 3, nxpk= 0, iat= 129, 143, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,  &end
#
#    9 LEU  HG       9 LEU  HN     3.940   (#SUP   6.51 )
 &rst
  ixpk= 6, nxpk= 0, iat= 131, 124, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44,  &end
#
#    9 LEU  HN       9 LEU  QD1    4.700   (#SUP   6.85 )
 &rst
  ixpk= 6, nxpk= 0, iat= 124,  -1, r1= 1.30, r2= 1.80, r3= 5.64, r4= 6.14,
 igr2= 133, 134, 135,
 &end
#
#    9 LEU  HN       9 LEU  QD2    4.610   (#SUP   7.21 )
 &rst
  ixpk= 7, nxpk= 0, iat= 124,  -1, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,
 igr2= 137, 138, 139,
 &end
#
#    9 LEU  HN      10 ARG+ HN     3.970   (#SUP   6.16 )
 &rst
  ixpk= 6, nxpk= 0, iat= 124, 143, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47,  &end
#
#    9 LEU  HN      10 ARG+ QB     4.580   (#SUP   5.73 )
 &rst
  ixpk= 5, nxpk= 0, iat= 124,  -1, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
 igr2= 147, 148,
 &end
#
#    9 LEU  HN      10 ARG+ QG     5.500   (#SUP   5.23 )
 &rst
  ixpk= 5, nxpk= 0, iat= 124,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 150, 151,
 &end
#
#   10 ARG+ HA      10 ARG+ HN     4.120   (#SUP   4.34 )
 &rst
  ixpk= 4, nxpk= 0, iat= 145, 143, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62,  &end
#
#   10 ARG+ HA      11 ASN  HN     4.600   (#SUP   4.63 )
 &rst
  ixpk= 4, nxpk= 0, iat= 145, 167, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,  &end
#
#   10 ARG+ HA      12 GLN  HN     5.500   (#SUP   1.60 )
 &rst
  ixpk= 1, nxpk= 0, iat= 145, 181, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   10 ARG+ HN      10 ARG+ QB     3.450   (#SUP   6.10 )
 &rst
  ixpk= 6, nxpk= 0, iat= 143,  -1, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37,
 igr2= 147, 148,
 &end
#
#   10 ARG+ HN      10 ARG+ QG     3.970   (#SUP   5.84 )
 &rst
  ixpk= 5, nxpk= 0, iat= 143,  -1, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96,
 igr2= 150, 151,
 &end
#
#   10 ARG+ HN      11 ASN  HN     4.170   (#SUP   3.62 )
 &rst
  ixpk= 3, nxpk= 0, iat= 143, 167, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67,  &end
#
#   10 ARG+ QB      11 ASN  HN     4.190   (#SUP   4.52 )
 &rst
  ixpk= 4, nxpk= 0, iat=  -1, 167, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,
 igr1= 147, 148,
 &end
#
#   10 ARG+ QG      11 ASN  HN     5.110   (#SUP   4.52 )
 &rst
  ixpk= 4, nxpk= 0, iat=  -1, 167, r1= 1.30, r2= 1.80, r3= 5.74, r4= 6.24,
 igr1= 150, 151,
 &end
#
#   11 ASN  HB2     11 ASN  HD21   4.810   (#SUP   2.63 )
 &rst
  ixpk= 2, nxpk= 0, iat= 171, 176, r1= 1.30, r2= 1.80, r3= 4.81, r4= 5.31,  &end
#
#   11 ASN  HB2     11 ASN  HN     4.340   (#SUP   3.67 )
 &rst
  ixpk= 3, nxpk= 0, iat= 171, 167, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84,  &end
#
#   11 ASN  HB2     12 GLN  HN     5.370   (#SUP   3.32 )
 &rst
  ixpk= 3, nxpk= 0, iat= 171, 181, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,  &end
#
#   11 ASN  HB3     11 ASN  HD21   4.560   (#SUP   2.31 )
 &rst
  ixpk= 2, nxpk= 0, iat= 172, 176, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06,  &end
#
#   11 ASN  HB3     11 ASN  HD22   4.590   (#SUP   2.21 )
 &rst
  ixpk= 2, nxpk= 0, iat= 172, 177, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09,  &end
#
#   11 ASN  HB3     11 ASN  HN     3.980   (#SUP   3.42 )
 &rst
  ixpk= 3, nxpk= 0, iat= 172, 167, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48,  &end
#
#   11 ASN  HD21    11 ASN  HD22   3.070   (#SUP   1.93 )
 &rst
  ixpk= 1, nxpk= 0, iat= 176, 177, r1= 1.30, r2= 1.80, r3= 3.07, r4= 3.57,  &end
#
#   11 ASN  HN      12 GLN  HN     4.050   (#SUP   3.44 )
 &rst
  ixpk= 3, nxpk= 0, iat= 167, 181, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55,  &end
#
#   12 GLN  HA      12 GLN  HN     3.720   (#SUP   4.32 )
 &rst
  ixpk= 4, nxpk= 0, iat= 183, 181, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22,  &end
#
#   12 GLN  HG2     12 GLN  HN     4.510   (#SUP   4.21 )
 &rst
  ixpk= 4, nxpk= 0, iat= 188, 181, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01,  &end
#
#   12 GLN  HG3     12 GLN  HN     3.790   (#SUP   3.99 )
 &rst
  ixpk= 3, nxpk= 0, iat= 189, 181, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29,  &end
#
#   12 GLN  HN      12 GLN  QB     3.780   (#SUP   3.99 )
 &rst
  ixpk= 3, nxpk= 0, iat= 181,  -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr2= 185, 186,
 &end
#
#   12 GLN  HN      13 PRO  HD2    5.330   (#SUP   4.45 )
 &rst
  ixpk= 4, nxpk= 0, iat= 181, 199, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83,  &end
#
#   12 GLN  HN      13 PRO  HD3    5.500   (#SUP   4.26 )
 &rst
  ixpk= 4, nxpk= 0, iat= 181, 200, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   14 GLN  HN      14 GLN  QB     4.760   (#SUP   2.95 )
 &rst
  ixpk= 2, nxpk= 0, iat= 212,  -1, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
 igr2= 216, 217,
 &end
#
#   14 GLN  HN      14 GLN  QG     5.500   (#SUP   2.67 )
 &rst
  ixpk= 2, nxpk= 0, iat= 212,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 219, 220,
 &end
#
#   14 GLN  HN      15 PHE  HN     4.550   (#SUP   3.30 )
 &rst
  ixpk= 3, nxpk= 0, iat= 212, 229, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05,  &end
#
#   14 GLN  QB      15 PHE  HN     4.060   (#SUP   4.19 )
 &rst
  ixpk= 4, nxpk= 0, iat=  -1, 229, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06,
 igr1= 216, 217,
 &end
#
#   14 GLN  QG      15 PHE  HN     5.110   (#SUP   4.18 )
 &rst
  ixpk= 4, nxpk= 0, iat=  -1, 229, r1= 1.30, r2= 1.80, r3= 5.74, r4= 6.24,
 igr1= 219, 220,
 &end
#
#   15 PHE  HA      15 PHE  HN     3.820   (#SUP   4.28 )
 &rst
  ixpk= 4, nxpk= 0, iat= 231, 229, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32,  &end
#
#   15 PHE  HA      16 GLN  HN     4.500   (#SUP   4.95 )
 &rst
  ixpk= 4, nxpk= 0, iat= 231, 249, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   15 PHE  HA      17 GLN  HN     4.350   (#SUP   3.26 )
 &rst
  ixpk= 3, nxpk= 0, iat= 231, 266, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85,  &end
#
#   15 PHE  HA      18 MET  HN     4.190   (#SUP   1.70 )
 &rst
  ixpk= 1, nxpk= 0, iat= 231, 283, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69,  &end
#
#   15 PHE  HB2     15 PHE  HN     3.750   (#SUP   4.28 )
 &rst
  ixpk= 4, nxpk= 0, iat= 233, 229, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25,  &end
#
#   15 PHE  HB2     16 GLN  HN     4.360   (#SUP   3.92 )
 &rst
  ixpk= 3, nxpk= 0, iat= 233, 249, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86,  &end
#
#   15 PHE  HB3     15 PHE  HN     3.620   (#SUP   4.28 )
 &rst
  ixpk= 4, nxpk= 0, iat= 234, 229, r1= 1.30, r2= 1.80, r3= 3.62, r4= 4.12,  &end
#
#   15 PHE  HB3     16 GLN  HN     4.880   (#SUP   3.92 )
 &rst
  ixpk= 3, nxpk= 0, iat= 234, 249, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,  &end
#
#   15 PHE  HN      16 GLN  HN     3.880   (#SUP   5.79 )
 &rst
  ixpk= 5, nxpk= 0, iat= 229, 249, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38,  &end
#
#   15 PHE  HN      16 GLN  QB     4.220   (#SUP   3.46 )
 &rst
  ixpk= 3, nxpk= 0, iat= 229,  -1, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,
 igr2= 253, 254,
 &end
#
#   15 PHE  HN      17 GLN  HN     5.500   (#SUP   2.59 )
 &rst
  ixpk= 2, nxpk= 0, iat= 229, 266, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   16 GLN  HA      16 GLN  HN     4.230   (#SUP   4.62 )
 &rst
  ixpk= 4, nxpk= 0, iat= 251, 249, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73,  &end
#
#   16 GLN  HA      17 GLN  HN     4.800   (#SUP   3.86 )
 &rst
  ixpk= 3, nxpk= 0, iat= 251, 266, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,  &end
#
#   16 GLN  HN      16 GLN  QB     3.260   (#SUP   4.62 )
 &rst
  ixpk= 4, nxpk= 0, iat= 249,  -1, r1= 1.30, r2= 1.80, r3= 3.66, r4= 4.16,
 igr2= 253, 254,
 &end
#
#   16 GLN  HN      16 GLN  QG     3.520   (#SUP   4.60 )
 &rst
  ixpk= 4, nxpk= 0, iat= 249,  -1, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45,
 igr2= 256, 257,
 &end
#
#   16 GLN  HN      17 GLN  HG3    4.300   (#SUP   2.90 )
 &rst
  ixpk= 2, nxpk= 0, iat= 249, 274, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,  &end
#
#   16 GLN  HN      17 GLN  HN     3.860   (#SUP   5.55 )
 &rst
  ixpk= 5, nxpk= 0, iat= 249, 266, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36,  &end
#
#   17 GLN  HA      17 GLN  HN     3.940   (#SUP   5.07 )
 &rst
  ixpk= 5, nxpk= 0, iat= 268, 266, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44,  &end
#
#   17 GLN  HA      18 MET  HN     4.530   (#SUP   3.92 )
 &rst
  ixpk= 3, nxpk= 0, iat= 268, 283, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,  &end
#
#   17 GLN  HA      20 GLN  HN     4.200   (#SUP   1.50 )
 &rst
  ixpk= 1, nxpk= 0, iat= 268, 324, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,  &end
#
#   17 GLN  HA      21 ILE  HN     5.500   (#SUP   2.13 )
 &rst
  ixpk= 2, nxpk= 0, iat= 268, 341, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   17 GLN  HB2     17 GLN  HN     3.330   (#SUP   5.02 )
 &rst
  ixpk= 5, nxpk= 0, iat= 270, 266, r1= 1.30, r2= 1.80, r3= 3.33, r4= 3.83,  &end
#
#   17 GLN  HB2     18 MET  HN     3.920   (#SUP   3.52 )
 &rst
  ixpk= 3, nxpk= 0, iat= 270, 283, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42,  &end
#
#   17 GLN  HB3     17 GLN  HN     3.800   (#SUP   4.68 )
 &rst
  ixpk= 4, nxpk= 0, iat= 271, 266, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30,  &end
#
#   17 GLN  HE21    17 GLN  HE22   2.790   (#SUP   2.00 )
 &rst
  ixpk= 2, nxpk= 0, iat= 278, 279, r1= 1.30, r2= 1.80, r3= 2.79, r4= 3.29,  &end
#
#   17 GLN  HE21    17 GLN  HG2    4.640   (#SUP   3.39 )
 &rst
  ixpk= 3, nxpk= 0, iat= 278, 273, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,  &end
#
#   17 GLN  HE21    17 GLN  HG3    4.840   (#SUP   2.94 )
 &rst
  ixpk= 2, nxpk= 0, iat= 278, 274, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,  &end
#
#   17 GLN  HE22    17 GLN  HG2    4.870   (#SUP   3.39 )
 &rst
  ixpk= 3, nxpk= 0, iat= 279, 273, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37,  &end
#
#   17 GLN  HE22    17 GLN  HG3    5.250   (#SUP   2.94 )
 &rst
  ixpk= 2, nxpk= 0, iat= 279, 274, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75,  &end
#
#   17 GLN  HG2     17 GLN  HN     3.900   (#SUP   5.36 )
 &rst
  ixpk= 5, nxpk= 0, iat= 273, 266, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40,  &end
#
#   17 GLN  HG3     17 GLN  HN     4.440   (#SUP   5.79 )
 &rst
  ixpk= 5, nxpk= 0, iat= 274, 266, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,  &end
#
#   18 MET  HA      18 MET  HN     3.810   (#SUP   5.62 )
 &rst
  ixpk= 5, nxpk= 0, iat= 285, 283, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31,  &end
#
#   18 MET  HA      19 ARG+ HN     4.180   (#SUP   5.70 )
 &rst
  ixpk= 5, nxpk= 0, iat= 285, 300, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68,  &end
#
#   18 MET  HA      21 ILE  HN     5.500   (#SUP   2.04 )
 &rst
  ixpk= 2, nxpk= 0, iat= 285, 341, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   18 MET  HB2     18 MET  HN     4.010   (#SUP   5.04 )
 &rst
  ixpk= 5, nxpk= 0, iat= 287, 283, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51,  &end
#
#   18 MET  HB3     18 MET  HN     4.110   (#SUP   5.62 )
 &rst
  ixpk= 5, nxpk= 0, iat= 288, 283, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,  &end
#
#   18 MET  HB3     19 ARG+ HN     4.860   (#SUP   5.70 )
 &rst
  ixpk= 5, nxpk= 0, iat= 288, 300, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,  &end
#
#   18 MET  HG2     18 MET  HN     3.650   (#SUP   5.62 )
 &rst
  ixpk= 5, nxpk= 0, iat= 290, 283, r1= 1.30, r2= 1.80, r3= 3.65, r4= 4.15,  &end
#
#   18 MET  HG2     19 ARG+ HN     4.670   (#SUP   5.70 )
 &rst
  ixpk= 5, nxpk= 0, iat= 290, 300, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,  &end
#
#   18 MET  HG3     18 MET  HN     3.700   (#SUP   5.62 )
 &rst
  ixpk= 5, nxpk= 0, iat= 291, 283, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,  &end
#
#   18 MET  HG3     19 ARG+ HN     4.150   (#SUP   5.70 )
 &rst
  ixpk= 5, nxpk= 0, iat= 291, 300, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65,  &end
#
#   18 MET  HN      19 ARG+ HN     3.810   (#SUP   5.53 )
 &rst
  ixpk= 5, nxpk= 0, iat= 283, 300, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31,  &end
#
#   18 MET  HN      32 LEU  QD2    4.480   (#SUP   3.22 )
 &rst
  ixpk= 3, nxpk= 0, iat= 283,  -1, r1= 1.30, r2= 1.80, r3= 5.625, r4= 5.88,
 igr2= 527, 528, 529,
 &end
#
#   19 ARG+ HA      19 ARG+ HN     3.830   (#SUP   5.73 )
 &rst
  ixpk= 5, nxpk= 0, iat= 302, 300, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33,  &end
#
#   19 ARG+ HA      20 GLN  HN     4.490   (#SUP   6.26 )
 &rst
  ixpk= 6, nxpk= 0, iat= 302, 324, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,  &end
#
#   19 ARG+ HA      21 ILE  HN     5.500   (#SUP   4.78 )
 &rst
  ixpk= 4, nxpk= 0, iat= 302, 341, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   19 ARG+ HA      22 ILE  HN     4.730   (#SUP   3.69 )
 &rst
  ixpk= 3, nxpk= 0, iat= 302, 360, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,  &end
#
#   19 ARG+ HD2     19 ARG+ HE     5.500   (#SUP   3.19 )
 &rst
  ixpk= 3, nxpk= 0, iat= 310, 313, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   19 ARG+ HD3     19 ARG+ HE     5.500   (#SUP   3.19 )
 &rst
  ixpk= 3, nxpk= 0, iat= 311, 313, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   19 ARG+ HG2     19 ARG+ HN     4.230   (#SUP   6.34 )
 &rst
  ixpk= 6, nxpk= 0, iat= 307, 300, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73,  &end
#
#   19 ARG+ HG2     20 GLN  HN     4.730   (#SUP   5.84 )
 &rst
  ixpk= 5, nxpk= 0, iat= 307, 324, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,  &end
#
#   19 ARG+ HG3     19 ARG+ HN     4.160   (#SUP   6.34 )
 &rst
  ixpk= 6, nxpk= 0, iat= 308, 300, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66,  &end
#
#   19 ARG+ HG3     20 GLN  HN     4.800   (#SUP   5.84 )
 &rst
  ixpk= 5, nxpk= 0, iat= 308, 324, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,  &end
#
#   19 ARG+ HN      19 ARG+ QB     3.500   (#SUP   6.68 )
 &rst
  ixpk= 6, nxpk= 0, iat= 300,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 304, 305,
 &end
#
#   19 ARG+ HN      20 GLN  HN     3.750   (#SUP   5.23 )
 &rst
  ixpk= 5, nxpk= 0, iat= 300, 324, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25,  &end
#
#   19 ARG+ HN      58 LEU  QD2    4.280   (#SUP   2.74 )
 &rst
  ixpk= 2, nxpk= 0, iat= 300,  -1, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
 igr2= 967, 968, 969,
 &end
#
#   19 ARG+ QB      20 GLN  HN     3.510   (#SUP   6.16 )
 &rst
  ixpk= 6, nxpk= 0, iat=  -1, 324, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44,
 igr1= 304, 305,
 &end
#
#   20 GLN  HA      20 GLN  HN     3.740   (#SUP   5.94 )
 &rst
  ixpk= 5, nxpk= 0, iat= 326, 324, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24,  &end
#
#   20 GLN  HA      21 ILE  HN     4.700   (#SUP   5.82 )
 &rst
  ixpk= 5, nxpk= 0, iat= 326, 341, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,  &end
#
#   20 GLN  HE21    20 GLN  HE22   2.850   (#SUP   2.00 )
 &rst
  ixpk= 2, nxpk= 0, iat= 336, 337, r1= 1.30, r2= 1.80, r3= 2.85, r4= 3.35,  &end
#
#   20 GLN  HE21    20 GLN  HG2    5.180   (#SUP   3.39 )
 &rst
  ixpk= 3, nxpk= 0, iat= 336, 331, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68,  &end
#
#   20 GLN  HE21    20 GLN  HG3    5.370   (#SUP   3.08 )
 &rst
  ixpk= 3, nxpk= 0, iat= 336, 332, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,  &end
#
#   20 GLN  HE22    20 GLN  HG2    4.800   (#SUP   3.39 )
 &rst
  ixpk= 3, nxpk= 0, iat= 337, 331, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,  &end
#
#   20 GLN  HE22    20 GLN  HG3    4.550   (#SUP   3.08 )
 &rst
  ixpk= 3, nxpk= 0, iat= 337, 332, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05,  &end
#
#   20 GLN  HG2     20 GLN  HN     3.770   (#SUP   6.55 )
 &rst
  ixpk= 6, nxpk= 0, iat= 331, 324, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,  &end
#
#   20 GLN  HG2     21 ILE  HN     5.500   (#SUP   6.43 )
 &rst
  ixpk= 6, nxpk= 0, iat= 331, 341, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   20 GLN  HG3     20 GLN  HN     4.330   (#SUP   6.43 )
 &rst
  ixpk= 6, nxpk= 0, iat= 332, 324, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,  &end
#
#   20 GLN  HG3     21 ILE  HN     5.500   (#SUP   6.31 )
 &rst
  ixpk= 6, nxpk= 0, iat= 332, 341, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   20 GLN  HN      20 GLN  QB     3.110   (#SUP   6.07 )
 &rst
  ixpk= 6, nxpk= 0, iat= 324,  -1, r1= 1.30, r2= 1.80, r3= 3.49, r4= 3.99,
 igr2= 328, 329,
 &end
#
#   20 GLN  HN      21 ILE  HG12   4.990   (#SUP   4.22 )
 &rst
  ixpk= 4, nxpk= 0, iat= 324, 351, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49,  &end
#
#   20 GLN  HN      21 ILE  HN     3.750   (#SUP   7.17 )
 &rst
  ixpk= 7, nxpk= 0, iat= 324, 341, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25,  &end
#
#   20 GLN  HN      62 VAL  QG1    4.720   (#SUP   1.38 )
 &rst
  ixpk= 1, nxpk= 0, iat= 324,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr2=1022,1023,1024,
 &end
#
#   20 GLN  QB      21 ILE  HN     4.000   (#SUP   7.20 )
 &rst
  ixpk= 7, nxpk= 0, iat=  -1, 341, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 328, 329,
 &end
#
#   21 ILE  HA      21 ILE  HN     4.000   (#SUP   7.30 )
 &rst
  ixpk= 7, nxpk= 0, iat= 343, 341, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   21 ILE  HB      21 ILE  HN     3.400   (#SUP   6.99 )
 &rst
  ixpk= 6, nxpk= 0, iat= 345, 341, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90,  &end
#
#   21 ILE  HB      22 ILE  HN     3.770   (#SUP   5.88 )
 &rst
  ixpk= 5, nxpk= 0, iat= 345, 360, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,  &end
#
#   21 ILE  HG12    21 ILE  HN     3.720   (#SUP   7.70 )
 &rst
  ixpk= 7, nxpk= 0, iat= 351, 341, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22,  &end
#
#   21 ILE  HG12    22 ILE  HN     4.360   (#SUP   6.04 )
 &rst
  ixpk= 6, nxpk= 0, iat= 351, 360, r1= 1.30, r2= 1.80, r3= 4.597, r4= 4.86,  &end
#
#   21 ILE  HG13    21 ILE  HN     3.520   (#SUP   6.55 )
 &rst
  ixpk= 6, nxpk= 0, iat= 352, 341, r1= 1.30, r2= 1.80, r3= 3.52, r4= 4.02,  &end
#
#   21 ILE  HN      21 ILE  QG2    3.720   (#SUP   6.06 )
 &rst
  ixpk= 6, nxpk= 0, iat= 341,  -1, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97,
 igr2= 347, 348, 349,
 &end
#
#   21 ILE  HN      22 ILE  HN     3.750   (#SUP   5.97 )
 &rst
  ixpk= 5, nxpk= 0, iat= 341, 360, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25,  &end
#
#   22 ILE  HA      22 ILE  HN     3.780   (#SUP   6.34 )
 &rst
  ixpk= 6, nxpk= 0, iat= 362, 360, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,  &end
#
#   22 ILE  HA      23 GLN  HN     4.600   (#SUP   6.23 )
 &rst
  ixpk= 6, nxpk= 0, iat= 362, 379, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,  &end
#
#   22 ILE  HA      25 ASN  HN     4.140   (#SUP   1.27 )
 &rst
  ixpk= 1, nxpk= 0, iat= 362, 413, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64,  &end
#
#   22 ILE  HB      22 ILE  HN     3.760   (#SUP   6.34 )
 &rst
  ixpk= 6, nxpk= 0, iat= 364, 360, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26,  &end
#
#   22 ILE  HB      23 GLN  HN     3.830   (#SUP   6.23 )
 &rst
  ixpk= 6, nxpk= 0, iat= 364, 379, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33,  &end
#
#   22 ILE  HN      22 ILE  QD1    4.330   (#SUP   6.34 )
 &rst
  ixpk= 6, nxpk= 0, iat= 360,  -1, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,
 igr2= 373, 374, 375,
 &end
#
#   22 ILE  HN      22 ILE  QG1    3.600   (#SUP   6.34 )
 &rst
  ixpk= 6, nxpk= 0, iat= 360,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr2= 370, 371,
 &end
#
#   22 ILE  HN      22 ILE  QG2    4.050   (#SUP   6.81 )
 &rst
  ixpk= 6, nxpk= 0, iat= 360,  -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
 igr2= 366, 367, 368,
 &end
#
#   22 ILE  HN      23 GLN  HN     4.130   (#SUP   6.93 )
 &rst
  ixpk= 6, nxpk= 0, iat= 360, 379, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63,  &end
#
#   22 ILE  HN      23 GLN  QB     4.270   (#SUP   4.72 )
 &rst
  ixpk= 4, nxpk= 0, iat= 360,  -1, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,
 igr2= 383, 384,
 &end
#
#   22 ILE  HN      58 LEU  QD2    5.500   (#SUP   2.80 )
 &rst
  ixpk= 2, nxpk= 0, iat= 360,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 967, 968, 969,
 &end
#
#   22 ILE  QD1     23 GLN  HN     5.500   (#SUP   6.23 )
 &rst
  ixpk= 6, nxpk= 0, iat=  -1, 379, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 373, 374, 375,
 &end
#
#   22 ILE  QD1     28 LEU  HN     5.190   (#SUP   3.10 )
 &rst
  ixpk= 3, nxpk= 0, iat=  -1, 452, r1= 1.30, r2= 1.80, r3= 6.23, r4= 6.73,
 igr1= 373, 374, 375,
 &end
#
#   22 ILE  QD1     29 LEU  HN     4.650   (#SUP   5.35 )
 &rst
  ixpk= 5, nxpk= 0, iat=  -1, 471, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08,
 igr1= 373, 374, 375,
 &end
#
#   22 ILE  QD1     31 ALA  HN     5.500   (#SUP   1.16 )
 &rst
  ixpk= 1, nxpk= 0, iat=  -1, 504, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 373, 374, 375,
 &end
#
#   22 ILE  QD1     32 LEU  HN     4.220   (#SUP   2.05 )
 &rst
  ixpk= 2, nxpk= 0, iat=  -1, 514, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,
 igr1= 373, 374, 375,
 &end
#
#   22 ILE  QG1     23 GLN  HN     4.630   (#SUP   6.23 )
 &rst
  ixpk= 6, nxpk= 0, iat=  -1, 379, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,
 igr1= 370, 371,
 &end
#
#   22 ILE  QG2     23 GLN  HN     4.190   (#SUP   7.82 )
 &rst
  ixpk= 7, nxpk= 0, iat=  -1, 379, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,
 igr1= 366, 367, 368,
 &end
#
#   22 ILE  QG2     24 GLN  HN     4.610   (#SUP   3.63 )
 &rst
  ixpk= 3, nxpk= 0, iat=  -1, 396, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,
 igr1= 366, 367, 368,
 &end
#
#   22 ILE  QG2     29 LEU  HN     4.700   (#SUP   3.86 )
 &rst
  ixpk= 3, nxpk= 0, iat=  -1, 471, r1= 1.30, r2= 1.80, r3= 5.64, r4= 6.14,
 igr1= 366, 367, 368,
 &end
#
#   23 GLN  HA      23 GLN  HN     4.390   (#SUP   6.53 )
 &rst
  ixpk= 6, nxpk= 0, iat= 381, 379, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89,  &end
#
#   23 GLN  HA      24 GLN  HN     4.310   (#SUP   5.15 )
 &rst
  ixpk= 5, nxpk= 0, iat= 381, 396, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81,  &end
#
#   23 GLN  HE21    23 GLN  HE22   3.020   (#SUP   2.93 )
 &rst
  ixpk= 2, nxpk= 0, iat= 391, 392, r1= 1.30, r2= 1.80, r3= 3.02, r4= 3.52,  &end
#
#   23 GLN  HE21    23 GLN  HG2    4.190   (#SUP   3.83 )
 &rst
  ixpk= 3, nxpk= 0, iat= 391, 386, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69,  &end
#
#   23 GLN  HE21    23 GLN  HG3    4.580   (#SUP   3.69 )
 &rst
  ixpk= 3, nxpk= 0, iat= 391, 387, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,  &end
#
#   23 GLN  HE21    23 GLN  QB     5.500   (#SUP   4.44 )
 &rst
  ixpk= 4, nxpk= 0, iat= 391,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 383, 384,
 &end
#
#   23 GLN  HE21    62 VAL  HN     5.500   (#SUP   0.75 )
 &rst
  ixpk= 0, nxpk= 0, iat= 391,1016, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   23 GLN  HE22    23 GLN  HG2    4.750   (#SUP   3.83 )
 &rst
  ixpk= 3, nxpk= 0, iat= 392, 386, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25,  &end
#
#   23 GLN  HE22    23 GLN  HG3    5.100   (#SUP   3.69 )
 &rst
  ixpk= 3, nxpk= 0, iat= 392, 387, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,  &end
#
#   23 GLN  HE22    23 GLN  QB     5.230   (#SUP   4.44 )
 &rst
  ixpk= 4, nxpk= 0, iat= 392,  -1, r1= 1.30, r2= 1.80, r3= 5.87, r4= 6.37,
 igr2= 383, 384,
 &end
#
#   23 GLN  HE22    61 PRO  HA     5.080   (#SUP   1.48 )
 &rst
  ixpk= 1, nxpk= 0, iat= 392,1012, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,  &end
#
#   23 GLN  HE22    62 VAL  HN     5.500   (#SUP   2.89 )
 &rst
  ixpk= 2, nxpk= 0, iat= 392,1016, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   23 GLN  HE22    62 VAL  QG1    5.500   (#SUP   1.46 )
 &rst
  ixpk= 1, nxpk= 0, iat= 392,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1022,1023,1024,
 &end
#
#   23 GLN  HG2     23 GLN  HN     3.840   (#SUP   5.79 )
 &rst
  ixpk= 5, nxpk= 0, iat= 386, 379, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34,  &end
#
#   23 GLN  HG3     23 GLN  HN     3.970   (#SUP   5.79 )
 &rst
  ixpk= 5, nxpk= 0, iat= 387, 379, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47,  &end
#
#   23 GLN  HN      23 GLN  QB     3.260   (#SUP   7.17 )
 &rst
  ixpk= 7, nxpk= 0, iat= 379,  -1, r1= 1.30, r2= 1.80, r3= 3.66, r4= 4.16,
 igr2= 383, 384,
 &end
#
#   23 GLN  HN      24 GLN  HN     3.620   (#SUP   4.71 )
 &rst
  ixpk= 4, nxpk= 0, iat= 379, 396, r1= 1.30, r2= 1.80, r3= 3.62, r4= 4.12,  &end
#
#   23 GLN  QB      24 GLN  HN     3.480   (#SUP   5.15 )
 &rst
  ixpk= 5, nxpk= 0, iat=  -1, 396, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41,
 igr1= 383, 384,
 &end
#
#   24 GLN  HA      24 GLN  HN     3.660   (#SUP   5.95 )
 &rst
  ixpk= 5, nxpk= 0, iat= 398, 396, r1= 1.30, r2= 1.80, r3= 3.66, r4= 4.16,  &end
#
#   24 GLN  HA      25 ASN  HN     4.160   (#SUP   5.39 )
 &rst
  ixpk= 5, nxpk= 0, iat= 398, 413, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66,  &end
#
#   24 GLN  HB2     24 GLN  HN     3.460   (#SUP   4.93 )
 &rst
  ixpk= 4, nxpk= 0, iat= 400, 396, r1= 1.30, r2= 1.80, r3= 3.46, r4= 3.96,  &end
#
#   24 GLN  HB2     25 ASN  HN     3.910   (#SUP   5.02 )
 &rst
  ixpk= 5, nxpk= 0, iat= 400, 413, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41,  &end
#
#   24 GLN  HB3     25 ASN  HN     3.940   (#SUP   5.09 )
 &rst
  ixpk= 5, nxpk= 0, iat= 401, 413, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44,  &end
#
#   24 GLN  HG2     24 GLN  HN     4.020   (#SUP   5.33 )
 &rst
  ixpk= 5, nxpk= 0, iat= 403, 396, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52,  &end
#
#   24 GLN  HG3     24 GLN  HN     4.150   (#SUP   5.93 )
 &rst
  ixpk= 5, nxpk= 0, iat= 404, 396, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65,  &end
#
#   24 GLN  HG3     25 ASN  HN     3.870   (#SUP   4.73 )
 &rst
  ixpk= 4, nxpk= 0, iat= 404, 413, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37,  &end
#
#   24 GLN  HN      25 ASN  HN     3.240   (#SUP   5.02 )
 &rst
  ixpk= 5, nxpk= 0, iat= 396, 413, r1= 1.30, r2= 1.80, r3= 3.24, r4= 3.74,  &end
#
#   25 ASN  HA      25 ASN  HN     3.780   (#SUP   5.04 )
 &rst
  ixpk= 5, nxpk= 0, iat= 415, 413, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,  &end
#
#   25 ASN  HB2     25 ASN  HD21   4.580   (#SUP   3.07 )
 &rst
  ixpk= 3, nxpk= 0, iat= 417, 422, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,  &end
#
#   25 ASN  HB2     25 ASN  HD22   4.990   (#SUP   2.74 )
 &rst
  ixpk= 2, nxpk= 0, iat= 417, 423, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49,  &end
#
#   25 ASN  HB2     25 ASN  HN     3.890   (#SUP   4.53 )
 &rst
  ixpk= 4, nxpk= 0, iat= 417, 413, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39,  &end
#
#   25 ASN  HB2     28 LEU  HN     5.120   (#SUP   3.30 )
 &rst
  ixpk= 3, nxpk= 0, iat= 417, 452, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,  &end
#
#   25 ASN  HB3     25 ASN  HD21   4.410   (#SUP   3.07 )
 &rst
  ixpk= 3, nxpk= 0, iat= 418, 422, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,  &end
#
#   25 ASN  HB3     25 ASN  HD22   4.780   (#SUP   2.74 )
 &rst
  ixpk= 2, nxpk= 0, iat= 418, 423, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28,  &end
#
#   25 ASN  HB3     25 ASN  HN     3.930   (#SUP   4.53 )
 &rst
  ixpk= 4, nxpk= 0, iat= 418, 413, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,  &end
#
#   25 ASN  HB3     28 LEU  HN     5.130   (#SUP   3.30 )
 &rst
  ixpk= 3, nxpk= 0, iat= 418, 452, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63,  &end
#
#   25 ASN  HD21    25 ASN  HD22   3.120   (#SUP   2.31 )
 &rst
  ixpk= 2, nxpk= 0, iat= 422, 423, r1= 1.30, r2= 1.80, r3= 3.12, r4= 3.62,  &end
#
#   25 ASN  HD21    26 PRO  HG2    5.260   (#SUP   2.77 )
 &rst
  ixpk= 2, nxpk= 0, iat= 422, 431, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76,  &end
#
#   25 ASN  HD21    28 LEU  HG     5.360   (#SUP   4.97 )
 &rst
  ixpk= 4, nxpk= 0, iat= 422, 459, r1= 1.30, r2= 1.80, r3= 5.36, r4= 5.86,  &end
#
#   25 ASN  HD21    28 LEU  QD1    5.500   (#SUP   4.96 )
 &rst
  ixpk= 4, nxpk= 0, iat= 422,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 461, 462, 463,
 &end
#
#   25 ASN  HD21    28 LEU  QD2    4.860   (#SUP   2.96 )
 &rst
  ixpk= 2, nxpk= 0, iat= 422,  -1, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
 igr2= 465, 466, 467,
 &end
#
#   25 ASN  HD22    28 LEU  HG     5.500   (#SUP   4.97 )
 &rst
  ixpk= 4, nxpk= 0, iat= 423, 459, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   25 ASN  HD22    28 LEU  QD1    5.000   (#SUP   4.97 )
 &rst
  ixpk= 4, nxpk= 0, iat= 423,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2= 461, 462, 463,
 &end
#
#   25 ASN  HD22    28 LEU  QD2    5.500   (#SUP   2.95 )
 &rst
  ixpk= 2, nxpk= 0, iat= 423,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 465, 466, 467,
 &end
#
#   25 ASN  HN      26 PRO  HD3    4.220   (#SUP   3.54 )
 &rst
  ixpk= 3, nxpk= 0, iat= 413, 429, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72,  &end
#
#   26 PRO  HB2     27 SER  HN     5.040   (#SUP   5.94 )
 &rst
  ixpk= 5, nxpk= 0, iat= 434, 441, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,  &end
#
#   26 PRO  HB3     27 SER  HN     5.000   (#SUP   5.91 )
 &rst
  ixpk= 5, nxpk= 0, iat= 435, 441, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   26 PRO  HD2     27 SER  HN     4.390   (#SUP   5.04 )
 &rst
  ixpk= 5, nxpk= 0, iat= 428, 441, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89,  &end
#
#   26 PRO  HD3     27 SER  HN     4.800   (#SUP   4.95 )
 &rst
  ixpk= 4, nxpk= 0, iat= 429, 441, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,  &end
#
#   26 PRO  HG3     27 SER  HN     4.640   (#SUP   4.90 )
 &rst
  ixpk= 4, nxpk= 0, iat= 432, 441, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,  &end
#
#   27 SER  HA      27 SER  HN     3.870   (#SUP   3.49 )
 &rst
  ixpk= 3, nxpk= 0, iat= 443, 441, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37,  &end
#
#   27 SER  HA      28 LEU  HN     4.570   (#SUP   5.18 )
 &rst
  ixpk= 5, nxpk= 0, iat= 443, 452, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07,  &end
#
#   27 SER  HA      29 LEU  HN     5.330   (#SUP   2.76 )
 &rst
  ixpk= 2, nxpk= 0, iat= 443, 471, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83,  &end
#
#   27 SER  HN      27 SER  QB     3.630   (#SUP   3.49 )
 &rst
  ixpk= 3, nxpk= 0, iat= 441,  -1, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57,
 igr2= 445, 446,
 &end
#
#   27 SER  HN      28 LEU  HN     3.840   (#SUP   4.66 )
 &rst
  ixpk= 4, nxpk= 0, iat= 441, 452, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34,  &end
#
#   27 SER  QB      28 LEU  HN     4.480   (#SUP   5.18 )
 &rst
  ixpk= 5, nxpk= 0, iat=  -1, 452, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,
 igr1= 445, 446,
 &end
#
#   27 SER  QB      29 LEU  HN     5.500   (#SUP   2.76 )
 &rst
  ixpk= 2, nxpk= 0, iat=  -1, 471, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 445, 446,
 &end
#
#   28 LEU  HA      28 LEU  HN     3.820   (#SUP   7.05 )
 &rst
  ixpk= 7, nxpk= 0, iat= 454, 452, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32,  &end
#
#   28 LEU  HA      29 LEU  HN     4.430   (#SUP   5.93 )
 &rst
  ixpk= 5, nxpk= 0, iat= 454, 471, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93,  &end
#
#   28 LEU  HA      31 ALA  HN     4.650   (#SUP   2.00 )
 &rst
  ixpk= 2, nxpk= 0, iat= 454, 504, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,  &end
#
#   28 LEU  HB2     28 LEU  HN     3.570   (#SUP   7.06 )
 &rst
  ixpk= 7, nxpk= 0, iat= 456, 452, r1= 1.30, r2= 1.80, r3= 3.57, r4= 4.07,  &end
#
#   28 LEU  HB2     29 LEU  HN     4.560   (#SUP   6.02 )
 &rst
  ixpk= 6, nxpk= 0, iat= 456, 471, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06,  &end
#
#   28 LEU  HB3     28 LEU  HN     3.860   (#SUP   6.40 )
 &rst
  ixpk= 6, nxpk= 0, iat= 457, 452, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36,  &end
#
#   28 LEU  HG      28 LEU  HN     3.600   (#SUP   6.40 )
 &rst
  ixpk= 6, nxpk= 0, iat= 459, 452, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,  &end
#
#   28 LEU  HN      28 LEU  QD1    4.110   (#SUP   6.47 )
 &rst
  ixpk= 6, nxpk= 0, iat= 452,  -1, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
 igr2= 461, 462, 463,
 &end
#
#   28 LEU  HN      28 LEU  QD2    4.210   (#SUP   7.06 )
 &rst
  ixpk= 7, nxpk= 0, iat= 452,  -1, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,
 igr2= 465, 466, 467,
 &end
#
#   28 LEU  HN      29 LEU  HN     3.810   (#SUP   7.96 )
 &rst
  ixpk= 7, nxpk= 0, iat= 452, 471, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31,  &end
#
#   28 LEU  HN      30 PRO  HD2    4.990   (#SUP   1.43 )
 &rst
  ixpk= 1, nxpk= 0, iat= 452, 491, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49,  &end
#
#   28 LEU  QD2     29 LEU  HN     5.440   (#SUP   6.17 )
 &rst
  ixpk= 6, nxpk= 0, iat=  -1, 471, r1= 1.30, r2= 1.80, r3= 6.53, r4= 7.03,
 igr1= 465, 466, 467,
 &end
#
#   28 LEU  QD2     31 ALA  HN     4.800   (#SUP   2.00 )
 &rst
  ixpk= 2, nxpk= 0, iat=  -1, 504, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26,
 igr1= 465, 466, 467,
 &end
#
#   29 LEU  HA      29 LEU  HN     3.560   (#SUP   6.49 )
 &rst
  ixpk= 6, nxpk= 0, iat= 473, 471, r1= 1.30, r2= 1.80, r3= 3.56, r4= 4.06,  &end
#
#   29 LEU  HB2     29 LEU  HN     3.660   (#SUP   6.96 )
 &rst
  ixpk= 6, nxpk= 0, iat= 475, 471, r1= 1.30, r2= 1.80, r3= 3.66, r4= 4.16,  &end
#
#   29 LEU  HB3     29 LEU  HN     3.420   (#SUP   6.14 )
 &rst
  ixpk= 6, nxpk= 0, iat= 476, 471, r1= 1.30, r2= 1.80, r3= 3.42, r4= 3.92,  &end
#
#   29 LEU  HN      29 LEU  QD2    4.390   (#SUP   5.18 )
 &rst
  ixpk= 5, nxpk= 0, iat= 471,  -1, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77,
 igr2= 484, 485, 486,
 &end
#
#   29 LEU  HN      30 PRO  HD2    3.930   (#SUP   6.36 )
 &rst
  ixpk= 6, nxpk= 0, iat= 471, 491, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,  &end
#
#   29 LEU  HN      30 PRO  HD3    3.720   (#SUP   6.65 )
 &rst
  ixpk= 6, nxpk= 0, iat= 471, 492, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22,  &end
#
#   29 LEU  QD1     32 LEU  HN     4.980   (#SUP   2.05 )
 &rst
  ixpk= 2, nxpk= 0, iat=  -1, 514, r1= 1.30, r2= 1.80, r3= 5.98, r4= 6.48,
 igr1= 480, 481, 482,
 &end
#
#   29 LEU  QD1     33 LEU  HN     5.500   (#SUP   3.58 )
 &rst
  ixpk= 3, nxpk= 0, iat=  -1, 533, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 480, 481, 482,
 &end
#
#   30 PRO  HA      32 LEU  HN     3.930   (#SUP   4.53 )
 &rst
  ixpk= 4, nxpk= 0, iat= 500, 514, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,  &end
#
#   30 PRO  HA      33 LEU  HN     3.960   (#SUP   7.28 )
 &rst
  ixpk= 7, nxpk= 0, iat= 500, 533, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,  &end
#
#   30 PRO  HA      34 GLN  HN     4.180   (#SUP   6.00 )
 &rst
  ixpk= 6, nxpk= 0, iat= 500, 552, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68,  &end
#
#   30 PRO  HB2     31 ALA  HN     4.290   (#SUP   5.91 )
 &rst
  ixpk= 5, nxpk= 0, iat= 497, 504, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79,  &end
#
#   30 PRO  HB3     31 ALA  HN     3.570   (#SUP   6.00 )
 &rst
  ixpk= 6, nxpk= 0, iat= 498, 504, r1= 1.30, r2= 1.80, r3= 3.708, r4= 4.07,  &end
#
#   30 PRO  HD2     31 ALA  HN     4.070   (#SUP   5.03 )
 &rst
  ixpk= 5, nxpk= 0, iat= 491, 504, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57,  &end
#
#   30 PRO  HD3     31 ALA  HN     4.590   (#SUP   5.04 )
 &rst
  ixpk= 5, nxpk= 0, iat= 492, 504, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09,  &end
#
#   30 PRO  HG2     31 ALA  HN     4.390   (#SUP   6.72 )
 &rst
  ixpk= 6, nxpk= 0, iat= 494, 504, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89,  &end
#
#   31 ALA  HA      31 ALA  HN     3.540   (#SUP   3.31 )
 &rst
  ixpk= 3, nxpk= 0, iat= 506, 504, r1= 1.30, r2= 1.80, r3= 3.54, r4= 4.04,  &end
#
#   31 ALA  HN      31 ALA  QB     3.200   (#SUP   4.61 )
 &rst
  ixpk= 4, nxpk= 0, iat= 504,  -1, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34,
 igr2= 508, 509, 510,
 &end
#
#   31 ALA  HN      32 LEU  HN     3.580   (#SUP   5.09 )
 &rst
  ixpk= 5, nxpk= 0, iat= 504, 514, r1= 1.30, r2= 1.80, r3= 3.58, r4= 4.08,  &end
#
#   31 ALA  HN      33 LEU  HN     5.460   (#SUP   4.51 )
 &rst
  ixpk= 4, nxpk= 0, iat= 504, 533, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96,  &end
#
#   31 ALA  HN      34 GLN  HN     5.310   (#SUP   4.23 )
 &rst
  ixpk= 4, nxpk= 0, iat= 504, 552, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,  &end
#
#   31 ALA  QB      32 LEU  HN     3.650   (#SUP   4.61 )
 &rst
  ixpk= 4, nxpk= 0, iat=  -1, 514, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,
 igr1= 508, 509, 510,
 &end
#
#   31 ALA  QB      33 LEU  HN     5.500   (#SUP   3.89 )
 &rst
  ixpk= 3, nxpk= 0, iat=  -1, 533, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 508, 509, 510,
 &end
#
#   31 ALA  QB      34 GLN  HN     4.800   (#SUP   5.15 )
 &rst
  ixpk= 5, nxpk= 0, iat=  -1, 552, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26,
 igr1= 508, 509, 510,
 &end
#
#   31 ALA  QB      35 GLN  HN     5.110   (#SUP   2.08 )
 &rst
  ixpk= 2, nxpk= 0, iat=  -1, 569, r1= 1.30, r2= 1.80, r3= 6.14, r4= 6.64,
 igr1= 508, 509, 510,
 &end
#
#   32 LEU  HA      32 LEU  HN     3.870   (#SUP   6.03 )
 &rst
  ixpk= 6, nxpk= 0, iat= 516, 514, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37,  &end
#
#   32 LEU  HA      35 GLN  HN     4.040   (#SUP   5.60 )
 &rst
  ixpk= 5, nxpk= 0, iat= 516, 569, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,  &end
#
#   32 LEU  HB2     32 LEU  HN     3.480   (#SUP   5.46 )
 &rst
  ixpk= 5, nxpk= 0, iat= 518, 514, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98,  &end
#
#   32 LEU  HB3     32 LEU  HN     3.300   (#SUP   5.47 )
 &rst
  ixpk= 5, nxpk= 0, iat= 519, 514, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
#   32 LEU  HB3     33 LEU  HN     3.910   (#SUP   6.26 )
 &rst
  ixpk= 6, nxpk= 0, iat= 519, 533, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41,  &end
#
#   32 LEU  HB3     35 GLN  HN     4.810   (#SUP   3.61 )
 &rst
  ixpk= 3, nxpk= 0, iat= 519, 569, r1= 1.30, r2= 1.80, r3= 5.012, r4= 5.31,  &end
#
#   32 LEU  HG      36 ILE  HN     5.500   (#SUP   2.08 )
 &rst
  ixpk= 2, nxpk= 0, iat= 521, 586, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   32 LEU  HN      32 LEU  QD2    4.000   (#SUP   4.81 )
 &rst
  ixpk= 4, nxpk= 0, iat= 514,  -1, r1= 1.30, r2= 1.80, r3= 5.015, r4= 5.30,
 igr2= 527, 528, 529,
 &end
#
#   32 LEU  HN      33 LEU  HN     3.760   (#SUP   8.71 )
 &rst
  ixpk= 8, nxpk= 0, iat= 514, 533, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26,  &end
#
#   32 LEU  HN      33 LEU  QD1    4.060   (#SUP   5.00 )
 &rst
  ixpk= 5, nxpk= 0, iat= 514,  -1, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,
 igr2= 542, 543, 544,
 &end
#
#   32 LEU  HN      34 GLN  HN     4.330   (#SUP   5.76 )
 &rst
  ixpk= 5, nxpk= 0, iat= 514, 552, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,  &end
#
#   32 LEU  QD1     33 LEU  HN     5.500   (#SUP   6.41 )
 &rst
  ixpk= 6, nxpk= 0, iat=  -1, 533, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 523, 524, 525,
 &end
#
#   32 LEU  QD1     35 GLN  HN     4.990   (#SUP   5.66 )
 &rst
  ixpk= 5, nxpk= 0, iat=  -1, 569, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
 igr1= 523, 524, 525,
 &end
#
#   33 LEU  HA      33 LEU  HN     4.140   (#SUP   7.01 )
 &rst
  ixpk= 7, nxpk= 0, iat= 535, 533, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64,  &end
#
#   33 LEU  HA      34 GLN  HN     4.730   (#SUP   7.22 )
 &rst
  ixpk= 7, nxpk= 0, iat= 535, 552, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,  &end
#
#   33 LEU  HA      35 GLN  HN     5.470   (#SUP   5.00 )
 &rst
  ixpk= 5, nxpk= 0, iat= 535, 569, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,  &end
#
#   33 LEU  HA      36 ILE  HN     4.690   (#SUP   4.00 )
 &rst
  ixpk= 4, nxpk= 0, iat= 535, 586, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19,  &end
#
#   33 LEU  HA      37 GLY  HN     5.500   (#SUP   1.71 )
 &rst
  ixpk= 1, nxpk= 0, iat= 535, 605, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   33 LEU  HB2     33 LEU  HN     3.500   (#SUP   7.04 )
 &rst
  ixpk= 7, nxpk= 0, iat= 537, 533, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   33 LEU  HB2     34 GLN  HN     3.820   (#SUP   6.31 )
 &rst
  ixpk= 6, nxpk= 0, iat= 537, 552, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32,  &end
#
#   33 LEU  HB3     33 LEU  HN     4.020   (#SUP   7.36 )
 &rst
  ixpk= 7, nxpk= 0, iat= 538, 533, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52,  &end
#
#   33 LEU  HB3     34 GLN  HN     4.230   (#SUP   6.31 )
 &rst
  ixpk= 6, nxpk= 0, iat= 538, 552, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73,  &end
#
#   33 LEU  HG      33 LEU  HN     3.670   (#SUP   6.98 )
 &rst
  ixpk= 6, nxpk= 0, iat= 540, 533, r1= 1.30, r2= 1.80, r3= 3.67, r4= 4.17,  &end
#
#   33 LEU  HG      34 GLN  HN     4.840   (#SUP   6.22 )
 &rst
  ixpk= 6, nxpk= 0, iat= 540, 552, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,  &end
#
#   33 LEU  HN      33 LEU  QD1    4.580   (#SUP   7.54 )
 &rst
  ixpk= 7, nxpk= 0, iat= 533,  -1, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
 igr2= 542, 543, 544,
 &end
#
#   33 LEU  HN      33 LEU  QD2    4.240   (#SUP   7.04 )
 &rst
  ixpk= 7, nxpk= 0, iat= 533,  -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
 igr2= 546, 547, 548,
 &end
#
#   33 LEU  HN      34 GLN  HN     3.750   (#SUP   6.84 )
 &rst
  ixpk= 6, nxpk= 0, iat= 533, 552, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25,  &end
#
#   33 LEU  QD1     34 GLN  HN     4.530   (#SUP   7.96 )
 &rst
  ixpk= 7, nxpk= 0, iat=  -1, 552, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94,
 igr1= 542, 543, 544,
 &end
#
#   33 LEU  QD2     34 GLN  HN     5.500   (#SUP   6.31 )
 &rst
  ixpk= 6, nxpk= 0, iat=  -1, 552, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 546, 547, 548,
 &end
#
#   34 GLN  HN      35 GLN  HN     3.780   (#SUP   2.12 )
 &rst
  ixpk= 2, nxpk= 0, iat= 552, 569, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,  &end
#
#   35 GLN  HA      35 GLN  HN     3.590   (#SUP   3.95 )
 &rst
  ixpk= 3, nxpk= 0, iat= 571, 569, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09,  &end
#
#   35 GLN  HA      36 ILE  HN     4.370   (#SUP   5.88 )
 &rst
  ixpk= 5, nxpk= 0, iat= 571, 586, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87,  &end
#
#   35 GLN  HA      37 GLY  HN     4.220   (#SUP   5.23 )
 &rst
  ixpk= 5, nxpk= 0, iat= 571, 605, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72,  &end
#
#   35 GLN  HA      38 ARG+ HN     4.160   (#SUP   5.66 )
 &rst
  ixpk= 5, nxpk= 0, iat= 571, 612, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66,  &end
#
#   35 GLN  HA      39 GLU- HN     5.270   (#SUP   2.40 )
 &rst
  ixpk= 2, nxpk= 0, iat= 571, 636, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77,  &end
#
#   35 GLN  HE21    35 GLN  HE22   2.950   (#SUP   2.00 )
 &rst
  ixpk= 2, nxpk= 0, iat= 581, 582, r1= 1.30, r2= 1.80, r3= 2.95, r4= 3.45,  &end
#
#   35 GLN  HE21    35 GLN  QB     5.450   (#SUP   3.03 )
 &rst
  ixpk= 3, nxpk= 0, iat= 581,  -1, r1= 1.30, r2= 1.80, r3= 6.12, r4= 6.62,
 igr2= 573, 574,
 &end
#
#   35 GLN  HE21    35 GLN  QG     3.880   (#SUP   3.01 )
 &rst
  ixpk= 3, nxpk= 0, iat= 581,  -1, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86,
 igr2= 576, 577,
 &end
#
#   35 GLN  HE22    35 GLN  QB     5.190   (#SUP   3.03 )
 &rst
  ixpk= 3, nxpk= 0, iat= 582,  -1, r1= 1.30, r2= 1.80, r3= 5.83, r4= 6.33,
 igr2= 573, 574,
 &end
#
#   35 GLN  HE22    35 GLN  QG     4.080   (#SUP   3.01 )
 &rst
  ixpk= 3, nxpk= 0, iat= 582,  -1, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
 igr2= 576, 577,
 &end
#
#   35 GLN  HN      35 GLN  QB     3.170   (#SUP   4.61 )
 &rst
  ixpk= 4, nxpk= 0, iat= 569,  -1, r1= 1.30, r2= 1.80, r3= 3.56, r4= 4.06,
 igr2= 573, 574,
 &end
#
#   35 GLN  HN      35 GLN  QG     3.830   (#SUP   4.61 )
 &rst
  ixpk= 4, nxpk= 0, iat= 569,  -1, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,
 igr2= 576, 577,
 &end
#
#   35 GLN  HN      36 ILE  HA     5.500   (#SUP   5.58 )
 &rst
  ixpk= 5, nxpk= 0, iat= 569, 588, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   35 GLN  HN      36 ILE  HB     4.400   (#SUP   4.98 )
 &rst
  ixpk= 4, nxpk= 0, iat= 569, 590, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,  &end
#
#   35 GLN  HN      36 ILE  HN     3.790   (#SUP   6.96 )
 &rst
  ixpk= 6, nxpk= 0, iat= 569, 586, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29,  &end
#
#   35 GLN  HN      37 GLY  HN     5.230   (#SUP   4.94 )
 &rst
  ixpk= 4, nxpk= 0, iat= 569, 605, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73,  &end
#
#   35 GLN  QB      36 ILE  HN     3.870   (#SUP   6.53 )
 &rst
  ixpk= 6, nxpk= 0, iat=  -1, 586, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84,
 igr1= 573, 574,
 &end
#
#   35 GLN  QB      37 GLY  HN     5.480   (#SUP   3.34 )
 &rst
  ixpk= 3, nxpk= 0, iat=  -1, 605, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65,
 igr1= 573, 574,
 &end
#
#   35 GLN  QG      36 ILE  HN     4.900   (#SUP   5.49 )
 &rst
  ixpk= 5, nxpk= 0, iat=  -1, 586, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
 igr1= 576, 577,
 &end
#
#   36 ILE  HA      36 ILE  HN     4.070   (#SUP   7.89 )
 &rst
  ixpk= 7, nxpk= 0, iat= 588, 586, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57,  &end
#
#   36 ILE  HA      39 GLU- HN     4.490   (#SUP   2.31 )
 &rst
  ixpk= 2, nxpk= 0, iat= 588, 636, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,  &end
#
#   36 ILE  HA      40 ASN  HN     4.360   (#SUP   2.00 )
 &rst
  ixpk= 2, nxpk= 0, iat= 588, 651, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86,  &end
#
#   36 ILE  HB      36 ILE  HN     3.580   (#SUP   7.86 )
 &rst
  ixpk= 7, nxpk= 0, iat= 590, 586, r1= 1.30, r2= 1.80, r3= 3.58, r4= 4.08,  &end
#
#   36 ILE  HB      37 GLY  HN     3.570   (#SUP   5.59 )
 &rst
  ixpk= 5, nxpk= 0, iat= 590, 605, r1= 1.30, r2= 1.80, r3= 3.57, r4= 4.07,  &end
#
#   36 ILE  HG12    36 ILE  HN     3.670   (#SUP   6.68 )
 &rst
  ixpk= 6, nxpk= 0, iat= 596, 586, r1= 1.30, r2= 1.80, r3= 3.67, r4= 4.17,  &end
#
#   36 ILE  HG13    36 ILE  HN     4.850   (#SUP   6.78 )
 &rst
  ixpk= 6, nxpk= 0, iat= 597, 586, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,  &end
#
#   36 ILE  HN      36 ILE  QD1    3.920   (#SUP   6.06 )
 &rst
  ixpk= 6, nxpk= 0, iat= 586,  -1, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
 igr2= 599, 600, 601,
 &end
#
#   36 ILE  HN      36 ILE  QG2    4.460   (#SUP   6.65 )
 &rst
  ixpk= 6, nxpk= 0, iat= 586,  -1, r1= 1.30, r2= 1.80, r3= 5.36, r4= 5.86,
 igr2= 592, 593, 594,
 &end
#
#   36 ILE  HN      37 GLY  HN     3.900   (#SUP   8.53 )
 &rst
  ixpk= 8, nxpk= 0, iat= 586, 605, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40,  &end
#
#   36 ILE  HN      38 ARG+ HN     5.500   (#SUP   2.99 )
 &rst
  ixpk= 2, nxpk= 0, iat= 586, 612, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   36 ILE  QG2     37 GLY  HN     4.070   (#SUP   5.21 )
 &rst
  ixpk= 5, nxpk= 0, iat=  -1, 605, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39,
 igr1= 592, 593, 594,
 &end
#
#   36 ILE  QG2     40 ASN  HN     4.690   (#SUP   2.96 )
 &rst
  ixpk= 2, nxpk= 0, iat=  -1, 651, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13,
 igr1= 592, 593, 594,
 &end
#
#   36 ILE  QG2     43 LEU  HN     4.870   (#SUP   2.61 )
 &rst
  ixpk= 2, nxpk= 0, iat=  -1, 696, r1= 1.30, r2= 1.80, r3= 5.85, r4= 6.35,
 igr1= 592, 593, 594,
 &end
#
#   37 GLY  HA2     37 GLY  HN     3.400   (#SUP   3.02 )
 &rst
  ixpk= 3, nxpk= 0, iat= 607, 605, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90,  &end
#
#   37 GLY  HA2     38 ARG+ HN     4.100   (#SUP   3.45 )
 &rst
  ixpk= 3, nxpk= 0, iat= 607, 612, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,  &end
#
#   37 GLY  HA3     37 GLY  HN     3.490   (#SUP   3.02 )
 &rst
  ixpk= 3, nxpk= 0, iat= 608, 605, r1= 1.30, r2= 1.80, r3= 3.49, r4= 3.99,  &end
#
#   37 GLY  HA3     38 ARG+ HN     4.080   (#SUP   3.45 )
 &rst
  ixpk= 3, nxpk= 0, iat= 608, 612, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58,  &end
#
#   37 GLY  HN      38 ARG+ HN     3.790   (#SUP   5.18 )
 &rst
  ixpk= 5, nxpk= 0, iat= 605, 612, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29,  &end
#
#   37 GLY  HN      39 GLU- HN     4.800   (#SUP   2.49 )
 &rst
  ixpk= 2, nxpk= 0, iat= 605, 636, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,  &end
#
#   37 GLY  HN      44 LEU  HB3    4.710   (#SUP   3.69 )
 &rst
  ixpk= 3, nxpk= 0, iat= 605, 720, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,  &end
#
#   37 GLY  HN      44 LEU  QD1    3.790   (#SUP   2.96 )
 &rst
  ixpk= 2, nxpk= 0, iat= 605,  -1, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05,
 igr2= 724, 725, 726,
 &end
#
#   38 ARG+ HA      38 ARG+ HN     3.710   (#SUP   5.05 )
 &rst
  ixpk= 5, nxpk= 0, iat= 614, 612, r1= 1.30, r2= 1.80, r3= 3.71, r4= 4.21,  &end
#
#   38 ARG+ HA      39 GLU- HN     4.370   (#SUP   4.75 )
 &rst
  ixpk= 4, nxpk= 0, iat= 614, 636, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87,  &end
#
#   38 ARG+ HG2     38 ARG+ HN     3.640   (#SUP   5.84 )
 &rst
  ixpk= 5, nxpk= 0, iat= 619, 612, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14,  &end
#
#   38 ARG+ HG2     39 GLU- HN     5.140   (#SUP   5.54 )
 &rst
  ixpk= 5, nxpk= 0, iat= 619, 636, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,  &end
#
#   38 ARG+ HG3     38 ARG+ HN     3.940   (#SUP   5.14 )
 &rst
  ixpk= 5, nxpk= 0, iat= 620, 612, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44,  &end
#
#   38 ARG+ HN      38 ARG+ QB     3.050   (#SUP   5.14 )
 &rst
  ixpk= 5, nxpk= 0, iat= 612,  -1, r1= 1.30, r2= 1.80, r3= 3.42, r4= 3.92,
 igr2= 616, 617,
 &end
#
#   38 ARG+ HN      39 GLU- HN     3.550   (#SUP   6.13 )
 &rst
  ixpk= 6, nxpk= 0, iat= 612, 636, r1= 1.30, r2= 1.80, r3= 3.55, r4= 4.05,  &end
#
#   38 ARG+ HN      40 ASN  HN     4.770   (#SUP   1.89 )
 &rst
  ixpk= 1, nxpk= 0, iat= 612, 651, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,  &end
#
#   39 GLU- HA      39 GLU- HN     3.860   (#SUP   6.06 )
 &rst
  ixpk= 6, nxpk= 0, iat= 638, 636, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36,  &end
#
#   39 GLU- HA      40 ASN  HN     4.600   (#SUP   5.28 )
 &rst
  ixpk= 5, nxpk= 0, iat= 638, 651, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,  &end
#
#   39 GLU- HB2     39 GLU- HN     3.970   (#SUP   6.06 )
 &rst
  ixpk= 6, nxpk= 0, iat= 640, 636, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47,  &end
#
#   39 GLU- HB2     40 ASN  HN     4.560   (#SUP   5.28 )
 &rst
  ixpk= 5, nxpk= 0, iat= 640, 651, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06,  &end
#
#   39 GLU- HB3     39 GLU- HN     3.290   (#SUP   6.06 )
 &rst
  ixpk= 6, nxpk= 0, iat= 641, 636, r1= 1.30, r2= 1.80, r3= 3.29, r4= 3.79,  &end
#
#   39 GLU- HB3     40 ASN  HN     4.050   (#SUP   5.28 )
 &rst
  ixpk= 5, nxpk= 0, iat= 641, 651, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55,  &end
#
#   39 GLU- HG2     39 GLU- HN     3.880   (#SUP   5.47 )
 &rst
  ixpk= 5, nxpk= 0, iat= 643, 636, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38,  &end
#
#   39 GLU- HG3     39 GLU- HN     4.190   (#SUP   5.47 )
 &rst
  ixpk= 5, nxpk= 0, iat= 644, 636, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69,  &end
#
#   39 GLU- HN      40 ASN  HN     3.470   (#SUP   6.57 )
 &rst
  ixpk= 6, nxpk= 0, iat= 636, 651, r1= 1.30, r2= 1.80, r3= 3.47, r4= 3.97,  &end
#
#   39 GLU- HN      41 PRO  HD2    5.500   (#SUP   1.43 )
 &rst
  ixpk= 1, nxpk= 0, iat= 636, 666, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   40 ASN  HA      40 ASN  HD21   5.500   (#SUP   3.64 )
 &rst
  ixpk= 3, nxpk= 0, iat= 653, 660, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   40 ASN  HA      40 ASN  HN     4.130   (#SUP   5.15 )
 &rst
  ixpk= 5, nxpk= 0, iat= 653, 651, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63,  &end
#
#   40 ASN  HB2     40 ASN  HD21   4.330   (#SUP   3.31 )
 &rst
  ixpk= 3, nxpk= 0, iat= 655, 660, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,  &end
#
#   40 ASN  HB2     40 ASN  HD22   4.460   (#SUP   2.61 )
 &rst
  ixpk= 2, nxpk= 0, iat= 655, 661, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96,  &end
#
#   40 ASN  HB2     40 ASN  HN     4.320   (#SUP   4.31 )
 &rst
  ixpk= 4, nxpk= 0, iat= 655, 651, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82,  &end
#
#   40 ASN  HB2     43 LEU  HN     4.430   (#SUP   4.88 )
 &rst
  ixpk= 4, nxpk= 0, iat= 655, 696, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93,  &end
#
#   40 ASN  HB3     40 ASN  HD21   4.130   (#SUP   3.31 )
 &rst
  ixpk= 3, nxpk= 0, iat= 656, 660, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63,  &end
#
#   40 ASN  HB3     40 ASN  HD22   4.140   (#SUP   2.61 )
 &rst
  ixpk= 2, nxpk= 0, iat= 656, 661, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64,  &end
#
#   40 ASN  HB3     40 ASN  HN     4.220   (#SUP   4.31 )
 &rst
  ixpk= 4, nxpk= 0, iat= 656, 651, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72,  &end
#
#   40 ASN  HB3     43 LEU  HN     5.160   (#SUP   2.96 )
 &rst
  ixpk= 2, nxpk= 0, iat= 656, 696, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,  &end
#
#   40 ASN  HD21    40 ASN  HD22   2.760   (#SUP   2.31 )
 &rst
  ixpk= 2, nxpk= 0, iat= 660, 661, r1= 1.30, r2= 1.80, r3= 2.76, r4= 3.26,  &end
#
#   40 ASN  HD21    43 LEU  HB3    4.820   (#SUP   2.85 )
 &rst
  ixpk= 2, nxpk= 0, iat= 660, 701, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32,  &end
#
#   40 ASN  HD21    43 LEU  QD2    5.070   (#SUP   2.86 )
 &rst
  ixpk= 2, nxpk= 0, iat= 660,  -1, r1= 1.30, r2= 1.80, r3= 6.09, r4= 6.59,
 igr2= 709, 710, 711,
 &end
#
#   40 ASN  HD22    43 LEU  HB3    4.680   (#SUP   3.90 )
 &rst
  ixpk= 3, nxpk= 0, iat= 661, 701, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,  &end
#
#   40 ASN  HD22    43 LEU  HN     5.500   (#SUP   3.94 )
 &rst
  ixpk= 3, nxpk= 0, iat= 661, 696, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   40 ASN  HD22    43 LEU  QD2    5.500   (#SUP   3.94 )
 &rst
  ixpk= 3, nxpk= 0, iat= 661,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 709, 710, 711,
 &end
#
#   40 ASN  HN      41 PRO  HD2    4.510   (#SUP   4.12 )
 &rst
  ixpk= 4, nxpk= 0, iat= 651, 666, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01,  &end
#
#   41 PRO  HA      42 GLN  HN     4.810   (#SUP   5.85 )
 &rst
  ixpk= 5, nxpk= 0, iat= 675, 679, r1= 1.30, r2= 1.80, r3= 4.81, r4= 5.31,  &end
#
#   41 PRO  HB3     42 GLN  HN     4.900   (#SUP   6.19 )
 &rst
  ixpk= 6, nxpk= 0, iat= 673, 679, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,  &end
#
#   41 PRO  HD2     42 GLN  HN     4.680   (#SUP   5.25 )
 &rst
  ixpk= 5, nxpk= 0, iat= 666, 679, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,  &end
#
#   41 PRO  HD3     42 GLN  HN     5.230   (#SUP   6.58 )
 &rst
  ixpk= 6, nxpk= 0, iat= 667, 679, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73,  &end
#
#   42 GLN  HA      42 GLN  HN     4.050   (#SUP   5.41 )
 &rst
  ixpk= 5, nxpk= 0, iat= 681, 679, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55,  &end
#
#   42 GLN  HA      43 LEU  HN     4.510   (#SUP   5.52 )
 &rst
  ixpk= 5, nxpk= 0, iat= 681, 696, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01,  &end
#
#   42 GLN  HA      45 GLN  HN     4.200   (#SUP   0.87 )
 &rst
  ixpk= 0, nxpk= 0, iat= 681, 734, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,  &end
#
#   42 GLN  HB2     42 GLN  HN     3.790   (#SUP   4.98 )
 &rst
  ixpk= 4, nxpk= 0, iat= 683, 679, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29,  &end
#
#   42 GLN  HB2     43 LEU  HN     4.100   (#SUP   6.45 )
 &rst
  ixpk= 6, nxpk= 0, iat= 683, 696, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,  &end
#
#   42 GLN  HB2     44 LEU  HN     4.150   (#SUP   2.57 )
 &rst
  ixpk= 2, nxpk= 0, iat= 683, 715, r1= 1.30, r2= 1.80, r3= 4.684, r4= 5.18,  &end
#
#   42 GLN  HB2     46 GLN  HE21   5.500   (#SUP   0.75 )
 &rst
  ixpk= 0, nxpk= 0, iat= 683, 763, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   42 GLN  HB2     46 GLN  HE22   5.500   (#SUP   0.75 )
 &rst
  ixpk= 0, nxpk= 0, iat= 683, 764, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   42 GLN  HB3     42 GLN  HN     3.840   (#SUP   5.31 )
 &rst
  ixpk= 5, nxpk= 0, iat= 684, 679, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34,  &end
#
#   42 GLN  HB3     43 LEU  HN     4.180   (#SUP   5.42 )
 &rst
  ixpk= 5, nxpk= 0, iat= 684, 696, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68,  &end
#
#   42 GLN  HN      42 GLN  QG     4.120   (#SUP   5.31 )
 &rst
  ixpk= 5, nxpk= 0, iat= 679,  -1, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
 igr2= 686, 687,
 &end
#
#   42 GLN  HN      43 LEU  HN     3.930   (#SUP   5.52 )
 &rst
  ixpk= 5, nxpk= 0, iat= 679, 696, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,  &end
#
#   42 GLN  QG      43 LEU  HN     4.320   (#SUP   6.44 )
 &rst
  ixpk= 6, nxpk= 0, iat=  -1, 696, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
 igr1= 686, 687,
 &end
#
#   42 GLN  QG      44 LEU  HN     5.060   (#SUP   2.64 )
 &rst
  ixpk= 2, nxpk= 0, iat=  -1, 715, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18,
 igr1= 686, 687,
 &end
#
#   43 LEU  HA      43 LEU  HN     3.810   (#SUP   6.65 )
 &rst
  ixpk= 6, nxpk= 0, iat= 698, 696, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31,  &end
#
#   43 LEU  HA      44 LEU  HN     4.010   (#SUP   7.07 )
 &rst
  ixpk= 7, nxpk= 0, iat= 698, 715, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51,  &end
#
#   43 LEU  HA      45 GLN  HN     4.970   (#SUP   5.18 )
 &rst
  ixpk= 5, nxpk= 0, iat= 698, 734, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47,  &end
#
#   43 LEU  HA      46 GLN  HN     4.270   (#SUP   6.23 )
 &rst
  ixpk= 6, nxpk= 0, iat= 698, 751, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,  &end
#
#   43 LEU  HA      47 ILE  HN     5.500   (#SUP   4.54 )
 &rst
  ixpk= 4, nxpk= 0, iat= 698, 768, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   43 LEU  HB2     43 LEU  HN     3.500   (#SUP   6.99 )
 &rst
  ixpk= 6, nxpk= 0, iat= 700, 696, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   43 LEU  HB2     44 LEU  HN     3.850   (#SUP   6.09 )
 &rst
  ixpk= 6, nxpk= 0, iat= 700, 715, r1= 1.30, r2= 1.80, r3= 3.85, r4= 4.35,  &end
#
#   43 LEU  HB3     43 LEU  HN     3.390   (#SUP   6.65 )
 &rst
  ixpk= 6, nxpk= 0, iat= 701, 696, r1= 1.30, r2= 1.80, r3= 3.39, r4= 3.89,  &end
#
#   43 LEU  HB3     44 LEU  HN     4.290   (#SUP   5.30 )
 &rst
  ixpk= 5, nxpk= 0, iat= 701, 715, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79,  &end
#
#   43 LEU  HN      43 LEU  QD1    4.480   (#SUP   6.50 )
 &rst
  ixpk= 6, nxpk= 0, iat= 696,  -1, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88,
 igr2= 705, 706, 707,
 &end
#
#   43 LEU  HN      43 LEU  QD2    4.380   (#SUP   6.41 )
 &rst
  ixpk= 6, nxpk= 0, iat= 696,  -1, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76,
 igr2= 709, 710, 711,
 &end
#
#   43 LEU  HN      44 LEU  HN     3.760   (#SUP   7.22 )
 &rst
  ixpk= 7, nxpk= 0, iat= 696, 715, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26,  &end
#
#   43 LEU  HN      45 GLN  HN     5.030   (#SUP   3.81 )
 &rst
  ixpk= 3, nxpk= 0, iat= 696, 734, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,  &end
#
#   43 LEU  QD1     46 GLN  HN     4.290   (#SUP   5.78 )
 &rst
  ixpk= 5, nxpk= 0, iat=  -1, 751, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,
 igr1= 705, 706, 707,
 &end
#
#   43 LEU  QD1     47 ILE  HN     5.080   (#SUP   6.38 )
 &rst
  ixpk= 6, nxpk= 0, iat=  -1, 768, r1= 1.30, r2= 1.80, r3= 6.10, r4= 6.60,
 igr1= 705, 706, 707,
 &end
#
#   44 LEU  HA      44 LEU  HN     3.960   (#SUP   6.27 )
 &rst
  ixpk= 6, nxpk= 0, iat= 717, 715, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,  &end
#
#   44 LEU  HA      47 ILE  HN     4.130   (#SUP   4.58 )
 &rst
  ixpk= 4, nxpk= 0, iat= 717, 768, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63,  &end
#
#   44 LEU  HB2     45 GLN  HN     3.320   (#SUP   8.11 )
 &rst
  ixpk= 8, nxpk= 0, iat= 719, 734, r1= 1.30, r2= 1.80, r3= 3.32, r4= 3.82,  &end
#
#   44 LEU  HB2     46 GLN  HN     4.580   (#SUP   3.04 )
 &rst
  ixpk= 3, nxpk= 0, iat= 719, 751, r1= 1.30, r2= 1.80, r3= 5.450, r4= 5.95,  &end
#
#   44 LEU  HB3     44 LEU  HN     3.760   (#SUP   6.48 )
 &rst
  ixpk= 6, nxpk= 0, iat= 720, 715, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26,  &end
#
#   44 LEU  HB3     45 GLN  HN     4.190   (#SUP   7.34 )
 &rst
  ixpk= 7, nxpk= 0, iat= 720, 734, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69,  &end
#
#   44 LEU  HG      45 GLN  HN     4.320   (#SUP   6.68 )
 &rst
  ixpk= 6, nxpk= 0, iat= 722, 734, r1= 1.30, r2= 1.80, r3= 4.533, r4= 4.82,  &end
#
#   44 LEU  HN      44 LEU  QD2    4.200   (#SUP   6.19 )
 &rst
  ixpk= 6, nxpk= 0, iat= 715,  -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr2= 728, 729, 730,
 &end
#
#   44 LEU  HN      45 GLN  HN     3.750   (#SUP   8.52 )
 &rst
  ixpk= 8, nxpk= 0, iat= 715, 734, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25,  &end
#
#   44 LEU  HN      46 GLN  HN     4.780   (#SUP   4.07 )
 &rst
  ixpk= 4, nxpk= 0, iat= 715, 751, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28,  &end
#
#   44 LEU  QD1     45 GLN  HN     4.310   (#SUP   6.49 )
 &rst
  ixpk= 6, nxpk= 0, iat=  -1, 734, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68,
 igr1= 724, 725, 726,
 &end
#
#   44 LEU  QD2     47 ILE  HN     5.020   (#SUP   4.87 )
 &rst
  ixpk= 4, nxpk= 0, iat=  -1, 768, r1= 1.30, r2= 1.80, r3= 6.03, r4= 6.53,
 igr1= 728, 729, 730,
 &end
#
#   44 LEU  QD2     48 SER  HN     4.540   (#SUP   3.61 )
 &rst
  ixpk= 3, nxpk= 0, iat=  -1, 787, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95,
 igr1= 728, 729, 730,
 &end
#
#   45 GLN  HA      45 GLN  HN     3.640   (#SUP   6.25 )
 &rst
  ixpk= 6, nxpk= 0, iat= 736, 734, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14,  &end
#
#   45 GLN  HA      46 GLN  HN     4.200   (#SUP   4.74 )
 &rst
  ixpk= 4, nxpk= 0, iat= 736, 751, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,  &end
#
#   45 GLN  HG2     45 GLN  HN     3.910   (#SUP   5.13 )
 &rst
  ixpk= 5, nxpk= 0, iat= 741, 734, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41,  &end
#
#   45 GLN  HG3     45 GLN  HN     4.140   (#SUP   4.97 )
 &rst
  ixpk= 4, nxpk= 0, iat= 742, 734, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64,  &end
#
#   45 GLN  HN      45 GLN  QB     3.080   (#SUP   6.17 )
 &rst
  ixpk= 6, nxpk= 0, iat= 734,  -1, r1= 1.30, r2= 1.80, r3= 3.46, r4= 3.96,
 igr2= 738, 739,
 &end
#
#   45 GLN  HN      46 GLN  HN     3.650   (#SUP   5.97 )
 &rst
  ixpk= 5, nxpk= 0, iat= 734, 751, r1= 1.30, r2= 1.80, r3= 3.65, r4= 4.15,  &end
#
#   45 GLN  HN      48 SER  HN     5.500   (#SUP   1.38 )
 &rst
  ixpk= 1, nxpk= 0, iat= 734, 787, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   45 GLN  QB      46 GLN  HN     3.670   (#SUP   4.71 )
 &rst
  ixpk= 4, nxpk= 0, iat=  -1, 751, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62,
 igr1= 738, 739,
 &end
#
#   46 GLN  HA      46 GLN  HE21   5.500   (#SUP   3.93 )
 &rst
  ixpk= 3, nxpk= 0, iat= 753, 763, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   46 GLN  HA      46 GLN  HN     3.720   (#SUP   6.83 )
 &rst
  ixpk= 6, nxpk= 0, iat= 753, 751, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22,  &end
#
#   46 GLN  HA      47 ILE  HN     4.740   (#SUP   5.47 )
 &rst
  ixpk= 5, nxpk= 0, iat= 753, 768, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,  &end
#
#   46 GLN  HA      49 GLN  HN     5.500   (#SUP   1.50 )
 &rst
  ixpk= 1, nxpk= 0, iat= 753, 798, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   46 GLN  HB2     46 GLN  HN     3.540   (#SUP   6.09 )
 &rst
  ixpk= 6, nxpk= 0, iat= 755, 751, r1= 1.30, r2= 1.80, r3= 3.54, r4= 4.04,  &end
#
#   46 GLN  HB2     47 ILE  HN     4.270   (#SUP   4.34 )
 &rst
  ixpk= 4, nxpk= 0, iat= 755, 768, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,  &end
#
#   46 GLN  HB3     46 GLN  HN     3.830   (#SUP   6.28 )
 &rst
  ixpk= 6, nxpk= 0, iat= 756, 751, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33,  &end
#
#   46 GLN  HB3     47 ILE  HN     4.570   (#SUP   5.01 )
 &rst
  ixpk= 5, nxpk= 0, iat= 756, 768, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07,  &end
#
#   46 GLN  HB3     48 SER  HN     5.230   (#SUP   2.59 )
 &rst
  ixpk= 2, nxpk= 0, iat= 756, 787, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.73,  &end
#
#   46 GLN  HE21    46 GLN  HE22   2.880   (#SUP   2.31 )
 &rst
  ixpk= 2, nxpk= 0, iat= 763, 764, r1= 1.30, r2= 1.80, r3= 2.88, r4= 3.38,  &end
#
#   46 GLN  HE21    46 GLN  HG2    5.320   (#SUP   3.63 )
 &rst
  ixpk= 3, nxpk= 0, iat= 763, 758, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82,  &end
#
#   46 GLN  HE21    46 GLN  HG3    4.640   (#SUP   3.26 )
 &rst
  ixpk= 3, nxpk= 0, iat= 763, 759, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,  &end
#
#   46 GLN  HE22    46 GLN  HG2    5.360   (#SUP   2.95 )
 &rst
  ixpk= 2, nxpk= 0, iat= 764, 758, r1= 1.30, r2= 1.80, r3= 5.36, r4= 5.86,  &end
#
#   46 GLN  HE22    46 GLN  HG3    5.500   (#SUP   2.59 )
 &rst
  ixpk= 2, nxpk= 0, iat= 764, 759, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   46 GLN  HG2     46 GLN  HN     3.820   (#SUP   6.40 )
 &rst
  ixpk= 6, nxpk= 0, iat= 758, 751, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32,  &end
#
#   46 GLN  HG3     46 GLN  HN     3.810   (#SUP   6.31 )
 &rst
  ixpk= 6, nxpk= 0, iat= 759, 751, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31,  &end
#
#   46 GLN  HN      47 ILE  HB     4.630   (#SUP   5.38 )
 &rst
  ixpk= 5, nxpk= 0, iat= 751, 772, r1= 1.30, r2= 1.80, r3= 4.63, r4= 5.13,  &end
#
#   46 GLN  HN      47 ILE  HN     3.850   (#SUP   6.52 )
 &rst
  ixpk= 6, nxpk= 0, iat= 751, 768, r1= 1.30, r2= 1.80, r3= 3.85, r4= 4.35,  &end
#
#   46 GLN  HN      47 ILE  QD1    5.500   (#SUP   5.42 )
 &rst
  ixpk= 5, nxpk= 0, iat= 751,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 781, 782, 783,
 &end
#
#   46 GLN  HN      48 SER  HN     5.500   (#SUP   4.48 )
 &rst
  ixpk= 4, nxpk= 0, iat= 751, 787, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   47 ILE  HA      47 ILE  HN     4.060   (#SUP   5.86 )
 &rst
  ixpk= 5, nxpk= 0, iat= 770, 768, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56,  &end
#
#   47 ILE  HA      48 SER  HN     4.720   (#SUP   5.48 )
 &rst
  ixpk= 5, nxpk= 0, iat= 770, 787, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,  &end
#
#   47 ILE  HB      47 ILE  HN     3.490   (#SUP   6.21 )
 &rst
  ixpk= 6, nxpk= 0, iat= 772, 768, r1= 1.30, r2= 1.80, r3= 3.49, r4= 3.99,  &end
#
#   47 ILE  HB      48 SER  HN     3.740   (#SUP   5.31 )
 &rst
  ixpk= 5, nxpk= 0, iat= 772, 787, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24,  &end
#
#   47 ILE  HG12    47 ILE  HN     3.740   (#SUP   5.57 )
 &rst
  ixpk= 5, nxpk= 0, iat= 778, 768, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24,  &end
#
#   47 ILE  HN      47 ILE  QD1    3.780   (#SUP   6.22 )
 &rst
  ixpk= 6, nxpk= 0, iat= 768,  -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
 igr2= 781, 782, 783,
 &end
#
#   47 ILE  HN      47 ILE  QG2    4.010   (#SUP   6.74 )
 &rst
  ixpk= 6, nxpk= 0, iat= 768,  -1, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32,
 igr2= 774, 775, 776,
 &end
#
#   47 ILE  QD1     48 SER  HN     5.000   (#SUP   5.69 )
 &rst
  ixpk= 5, nxpk= 0, iat=  -1, 787, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 781, 782, 783,
 &end
#
#   47 ILE  QG2     48 SER  HN     4.230   (#SUP   6.71 )
 &rst
  ixpk= 6, nxpk= 0, iat=  -1, 787, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,
 igr1= 774, 775, 776,
 &end
#
#   47 ILE  QG2     54 PHE  HN     5.500   (#SUP   1.50 )
 &rst
  ixpk= 1, nxpk= 0, iat=  -1, 881, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 774, 775, 776,
 &end
#
#   48 SER  HA      48 SER  HN     3.820   (#SUP   4.67 )
 &rst
  ixpk= 4, nxpk= 0, iat= 789, 787, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32,  &end
#
#   48 SER  HB2     48 SER  HN     4.040   (#SUP   4.49 )
 &rst
  ixpk= 4, nxpk= 0, iat= 791, 787, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,  &end
#
#   48 SER  HB2     49 GLN  HN     4.230   (#SUP   4.51 )
 &rst
  ixpk= 4, nxpk= 0, iat= 791, 798, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73,  &end
#
#   48 SER  HB3     48 SER  HN     3.690   (#SUP   3.85 )
 &rst
  ixpk= 3, nxpk= 0, iat= 792, 787, r1= 1.30, r2= 1.80, r3= 3.69, r4= 4.19,  &end
#
#   48 SER  HB3     49 GLN  HN     4.290   (#SUP   3.30 )
 &rst
  ixpk= 3, nxpk= 0, iat= 792, 798, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79,  &end
#
#   48 SER  HN      49 GLN  HN     3.880   (#SUP   4.57 )
 &rst
  ixpk= 4, nxpk= 0, iat= 787, 798, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38,  &end
#
#   49 GLN  HA      49 GLN  HN     3.610   (#SUP   5.38 )
 &rst
  ixpk= 5, nxpk= 0, iat= 800, 798, r1= 1.30, r2= 1.80, r3= 3.61, r4= 4.11,  &end
#
#   49 GLN  HA      50 HIS  HN     4.300   (#SUP   4.71 )
 &rst
  ixpk= 4, nxpk= 0, iat= 800, 815, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,  &end
#
#   49 GLN  HB2     49 GLN  HN     3.540   (#SUP   5.36 )
 &rst
  ixpk= 5, nxpk= 0, iat= 802, 798, r1= 1.30, r2= 1.80, r3= 3.54, r4= 4.04,  &end
#
#   49 GLN  HB2     50 HIS  HN     4.840   (#SUP   4.37 )
 &rst
  ixpk= 4, nxpk= 0, iat= 802, 815, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,  &end
#
#   49 GLN  HB3     49 GLN  HN     3.540   (#SUP   5.38 )
 &rst
  ixpk= 5, nxpk= 0, iat= 803, 798, r1= 1.30, r2= 1.80, r3= 3.54, r4= 4.04,  &end
#
#   49 GLN  HB3     50 HIS  HN     4.640   (#SUP   4.71 )
 &rst
  ixpk= 4, nxpk= 0, iat= 803, 815, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,  &end
#
#   49 GLN  HE21    49 GLN  HE22   2.810   (#SUP   1.50 )
 &rst
  ixpk= 1, nxpk= 0, iat= 810, 811, r1= 1.30, r2= 1.80, r3= 2.81, r4= 3.31,  &end
#
#   49 GLN  HE21    49 GLN  HG2    4.980   (#SUP   3.52 )
 &rst
  ixpk= 3, nxpk= 0, iat= 810, 805, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48,  &end
#
#   49 GLN  HE21    49 GLN  HG3    5.050   (#SUP   3.77 )
 &rst
  ixpk= 3, nxpk= 0, iat= 810, 806, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,  &end
#
#   49 GLN  HG2     49 GLN  HN     4.050   (#SUP   5.30 )
 &rst
  ixpk= 5, nxpk= 0, iat= 805, 798, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55,  &end
#
#   49 GLN  HG3     49 GLN  HN     3.890   (#SUP   5.60 )
 &rst
  ixpk= 5, nxpk= 0, iat= 806, 798, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39,  &end
#
#   49 GLN  HG3     50 HIS  HN     5.240   (#SUP   4.57 )
 &rst
  ixpk= 4, nxpk= 0, iat= 806, 815, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,  &end
#
#   50 HIS  HA      50 HIS  HN     3.730   (#SUP   4.62 )
 &rst
  ixpk= 4, nxpk= 0, iat= 817, 815, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23,  &end
#
#   50 HIS  HA      51 GLN  HN     3.750   (#SUP   5.26 )
 &rst
  ixpk= 5, nxpk= 0, iat= 817, 832, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25,  &end
#
#   50 HIS  HA      52 GLU- HN     5.480   (#SUP   1.60 )
 &rst
  ixpk= 1, nxpk= 0, iat= 817, 849, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98,  &end
#
#   50 HIS  HB2     50 HIS  HN     3.990   (#SUP   4.62 )
 &rst
  ixpk= 4, nxpk= 0, iat= 819, 815, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49,  &end
#
#   50 HIS  HB2     51 GLN  HN     4.910   (#SUP   4.22 )
 &rst
  ixpk= 4, nxpk= 0, iat= 819, 832, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,  &end
#
#   50 HIS  HB2     53 HIS  HN     4.980   (#SUP   1.10 )
 &rst
  ixpk= 1, nxpk= 0, iat= 819, 864, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48,  &end
#
#   50 HIS  HB2     54 PHE  HN     4.700   (#SUP   1.25 )
 &rst
  ixpk= 1, nxpk= 0, iat= 819, 881, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,  &end
#
#   50 HIS  HB3     50 HIS  HN     3.900   (#SUP   4.62 )
 &rst
  ixpk= 4, nxpk= 0, iat= 820, 815, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40,  &end
#
#   50 HIS  HB3     51 GLN  HN     4.720   (#SUP   4.22 )
 &rst
  ixpk= 4, nxpk= 0, iat= 820, 832, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,  &end
#
#   50 HIS  HN      51 GLN  HB2    4.810   (#SUP   4.26 )
 &rst
  ixpk= 4, nxpk= 0, iat= 815, 836, r1= 1.30, r2= 1.80, r3= 4.81, r4= 5.31,  &end
#
#   50 HIS  HN      51 GLN  HN     3.580   (#SUP   5.22 )
 &rst
  ixpk= 5, nxpk= 0, iat= 815, 832, r1= 1.30, r2= 1.80, r3= 3.58, r4= 4.08,  &end
#
#   51 GLN  HA      51 GLN  HE21   5.230   (#SUP   3.76 )
 &rst
  ixpk= 3, nxpk= 0, iat= 834, 844, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73,  &end
#
#   51 GLN  HA      51 GLN  HN     3.590   (#SUP   5.48 )
 &rst
  ixpk= 5, nxpk= 0, iat= 834, 832, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09,  &end
#
#   51 GLN  HA      54 PHE  HN     4.220   (#SUP   4.68 )
 &rst
  ixpk= 4, nxpk= 0, iat= 834, 881, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72,  &end
#
#   51 GLN  HA      55 ILE  HN     4.150   (#SUP   2.10 )
 &rst
  ixpk= 2, nxpk= 0, iat= 834, 901, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65,  &end
#
#   51 GLN  HB2     51 GLN  HE21   5.500   (#SUP   4.44 )
 &rst
  ixpk= 4, nxpk= 0, iat= 836, 844, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   51 GLN  HB2     51 GLN  HE22   5.500   (#SUP   3.41 )
 &rst
  ixpk= 3, nxpk= 0, iat= 836, 845, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   51 GLN  HB2     51 GLN  HN     3.550   (#SUP   6.00 )
 &rst
  ixpk= 6, nxpk= 0, iat= 836, 832, r1= 1.30, r2= 1.80, r3= 3.55, r4= 4.05,  &end
#
#   51 GLN  HB3     51 GLN  HE21   5.500   (#SUP   4.11 )
 &rst
  ixpk= 4, nxpk= 0, iat= 837, 844, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   51 GLN  HB3     51 GLN  HN     3.670   (#SUP   6.10 )
 &rst
  ixpk= 6, nxpk= 0, iat= 837, 832, r1= 1.30, r2= 1.80, r3= 3.67, r4= 4.17,  &end
#
#   51 GLN  HB3     52 GLU- HN     4.290   (#SUP   5.29 )
 &rst
  ixpk= 5, nxpk= 0, iat= 837, 849, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79,  &end
#
#   51 GLN  HE21    51 GLN  HE22   2.880   (#SUP   2.44 )
 &rst
  ixpk= 2, nxpk= 0, iat= 844, 845, r1= 1.30, r2= 1.80, r3= 2.88, r4= 3.38,  &end
#
#   51 GLN  HE21    51 GLN  QG     4.290   (#SUP   4.43 )
 &rst
  ixpk= 4, nxpk= 0, iat= 844,  -1, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32,
 igr2= 839, 840,
 &end
#
#   51 GLN  HE21    55 ILE  QD1    5.470   (#SUP   2.07 )
 &rst
  ixpk= 2, nxpk= 0, iat= 844,  -1, r1= 1.30, r2= 1.80, r3= 6.57, r4= 7.07,
 igr2= 914, 915, 916,
 &end
#
#   51 GLN  HE22    51 GLN  QG     5.500   (#SUP   3.29 )
 &rst
  ixpk= 3, nxpk= 0, iat= 845,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 839, 840,
 &end
#
#   51 GLN  HE22    55 ILE  QD1    5.350   (#SUP   1.94 )
 &rst
  ixpk= 1, nxpk= 0, iat= 845,  -1, r1= 1.30, r2= 1.80, r3= 6.43, r4= 6.93,
 igr2= 914, 915, 916,
 &end
#
#   51 GLN  HN      51 GLN  QG     3.750   (#SUP   6.02 )
 &rst
  ixpk= 6, nxpk= 0, iat= 832,  -1, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71,
 igr2= 839, 840,
 &end
#
#   51 GLN  HN      52 GLU- HN     4.130   (#SUP   5.51 )
 &rst
  ixpk= 5, nxpk= 0, iat= 832, 849, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63,  &end
#
#   51 GLN  QG      52 GLU- HN     4.420   (#SUP   5.60 )
 &rst
  ixpk= 5, nxpk= 0, iat=  -1, 849, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,
 igr1= 839, 840,
 &end
#
#   52 GLU- HA      52 GLU- HN     3.780   (#SUP   5.05 )
 &rst
  ixpk= 5, nxpk= 0, iat= 851, 849, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,  &end
#
#   52 GLU- HA      53 HIS  HN     4.590   (#SUP   4.62 )
 &rst
  ixpk= 4, nxpk= 0, iat= 851, 864, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09,  &end
#
#   52 GLU- HB2     52 GLU- HN     3.910   (#SUP   4.97 )
 &rst
  ixpk= 4, nxpk= 0, iat= 853, 849, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41,  &end
#
#   52 GLU- HB2     53 HIS  HN     4.670   (#SUP   4.70 )
 &rst
  ixpk= 4, nxpk= 0, iat= 853, 864, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,  &end
#
#   52 GLU- HB3     52 GLU- HN     4.050   (#SUP   4.97 )
 &rst
  ixpk= 4, nxpk= 0, iat= 854, 849, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55,  &end
#
#   52 GLU- HB3     53 HIS  HN     4.570   (#SUP   4.73 )
 &rst
  ixpk= 4, nxpk= 0, iat= 854, 864, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07,  &end
#
#   52 GLU- HN      52 GLU- QG     3.810   (#SUP   5.05 )
 &rst
  ixpk= 5, nxpk= 0, iat= 849,  -1, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78,
 igr2= 856, 857,
 &end
#
#   52 GLU- HN      53 HIS  HN     4.060   (#SUP   5.96 )
 &rst
  ixpk= 5, nxpk= 0, iat= 849, 864, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56,  &end
#
#   52 GLU- HN      54 PHE  HN     5.360   (#SUP   2.44 )
 &rst
  ixpk= 2, nxpk= 0, iat= 849, 881, r1= 1.30, r2= 1.80, r3= 5.36, r4= 5.86,  &end
#
#   52 GLU- QG      53 HIS  HN     4.590   (#SUP   4.80 )
 &rst
  ixpk= 4, nxpk= 0, iat=  -1, 864, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,
 igr1= 856, 857,
 &end
#
#   53 HIS  HA      53 HIS  HN     4.170   (#SUP   3.58 )
 &rst
  ixpk= 3, nxpk= 0, iat= 866, 864, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67,  &end
#
#   53 HIS  HA      54 PHE  HN     4.850   (#SUP   3.18 )
 &rst
  ixpk= 3, nxpk= 0, iat= 866, 881, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,  &end
#
#   53 HIS  HA      56 GLN  HN     4.360   (#SUP   0.75 )
 &rst
  ixpk= 0, nxpk= 0, iat= 866, 920, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86,  &end
#
#   53 HIS  HN      53 HIS  QB     3.540   (#SUP   3.58 )
 &rst
  ixpk= 3, nxpk= 0, iat= 864,  -1, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47,
 igr2= 868, 869,
 &end
#
#   53 HIS  HN      54 PHE  HN     3.880   (#SUP   3.82 )
 &rst
  ixpk= 3, nxpk= 0, iat= 864, 881, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38,  &end
#
#   53 HIS  QB      54 PHE  HN     4.000   (#SUP   3.18 )
 &rst
  ixpk= 3, nxpk= 0, iat=  -1, 881, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 868, 869,
 &end
#
#   54 PHE  HA      54 PHE  HN     4.080   (#SUP   3.91 )
 &rst
  ixpk= 3, nxpk= 0, iat= 883, 881, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58,  &end
#
#   54 PHE  HA      55 ILE  HN     4.510   (#SUP   3.81 )
 &rst
  ixpk= 3, nxpk= 0, iat= 883, 901, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01,  &end
#
#   54 PHE  HA      57 MET  HN     4.810   (#SUP   2.24 )
 &rst
  ixpk= 2, nxpk= 0, iat= 883, 937, r1= 1.30, r2= 1.80, r3= 4.81, r4= 5.31,  &end
#
#   54 PHE  HB2     54 PHE  HN     3.640   (#SUP   3.91 )
 &rst
  ixpk= 3, nxpk= 0, iat= 885, 881, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14,  &end
#
#   54 PHE  HB2     55 ILE  HN     4.070   (#SUP   3.81 )
 &rst
  ixpk= 3, nxpk= 0, iat= 885, 901, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57,  &end
#
#   54 PHE  HB3     54 PHE  HN     3.650   (#SUP   3.91 )
 &rst
  ixpk= 3, nxpk= 0, iat= 886, 881, r1= 1.30, r2= 1.80, r3= 3.65, r4= 4.15,  &end
#
#   54 PHE  HB3     55 ILE  HN     4.260   (#SUP   3.81 )
 &rst
  ixpk= 3, nxpk= 0, iat= 886, 901, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76,  &end
#
#   54 PHE  HN      55 ILE  HB     4.820   (#SUP   3.65 )
 &rst
  ixpk= 3, nxpk= 0, iat= 881, 905, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32,  &end
#
#   54 PHE  HN      55 ILE  QD1    5.500   (#SUP   3.25 )
 &rst
  ixpk= 3, nxpk= 0, iat= 881,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 914, 915, 916,
 &end
#
#   55 ILE  HA      55 ILE  HN     4.040   (#SUP   6.25 )
 &rst
  ixpk= 6, nxpk= 0, iat= 903, 901, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,  &end
#
#   55 ILE  HA      56 GLN  HN     4.680   (#SUP   6.02 )
 &rst
  ixpk= 6, nxpk= 0, iat= 903, 920, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,  &end
#
#   55 ILE  HA      58 LEU  HN     4.560   (#SUP   3.82 )
 &rst
  ixpk= 3, nxpk= 0, iat= 903, 954, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06,  &end
#
#   55 ILE  HB      55 ILE  HN     3.520   (#SUP   6.50 )
 &rst
  ixpk= 6, nxpk= 0, iat= 905, 901, r1= 1.30, r2= 1.80, r3= 3.52, r4= 4.02,  &end
#
#   55 ILE  HB      56 GLN  HN     3.710   (#SUP   5.88 )
 &rst
  ixpk= 5, nxpk= 0, iat= 905, 920, r1= 1.30, r2= 1.80, r3= 3.71, r4= 4.21,  &end
#
#   55 ILE  HG12    55 ILE  HN     3.810   (#SUP   6.26 )
 &rst
  ixpk= 6, nxpk= 0, iat= 911, 901, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31,  &end
#
#   55 ILE  HG12    56 GLN  HN     5.330   (#SUP   6.11 )
 &rst
  ixpk= 6, nxpk= 0, iat= 911, 920, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83,  &end
#
#   55 ILE  HG13    55 ILE  HN     4.000   (#SUP   5.74 )
 &rst
  ixpk= 5, nxpk= 0, iat= 912, 901, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   55 ILE  HN      55 ILE  QD1    3.890   (#SUP   5.66 )
 &rst
  ixpk= 5, nxpk= 0, iat= 901,  -1, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,
 igr2= 914, 915, 916,
 &end
#
#   55 ILE  HN      56 GLN  HN     3.800   (#SUP   5.13 )
 &rst
  ixpk= 5, nxpk= 0, iat= 901, 920, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30,  &end
#
#   55 ILE  QG2     56 GLN  HN     4.080   (#SUP   5.74 )
 &rst
  ixpk= 5, nxpk= 0, iat=  -1, 920, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,
 igr1= 907, 908, 909,
 &end
#
#   55 ILE  QG2     58 LEU  HN     5.040   (#SUP   2.60 )
 &rst
  ixpk= 2, nxpk= 0, iat=  -1, 954, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
 igr1= 907, 908, 909,
 &end
#
#   55 ILE  QG2     59 ASN  HD21   4.270   (#SUP   1.20 )
 &rst
  ixpk= 1, nxpk= 0, iat=  -1, 982, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63,
 igr1= 907, 908, 909,
 &end
#
#   55 ILE  QG2     59 ASN  HD22   4.230   (#SUP   1.20 )
 &rst
  ixpk= 1, nxpk= 0, iat=  -1, 983, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,
 igr1= 907, 908, 909,
 &end
#
#   55 ILE  QG2     59 ASN  HN     4.700   (#SUP   2.60 )
 &rst
  ixpk= 2, nxpk= 0, iat=  -1, 973, r1= 1.30, r2= 1.80, r3= 5.64, r4= 6.14,
 igr1= 907, 908, 909,
 &end
#
#   56 GLN  HA      56 GLN  HN     3.700   (#SUP   6.33 )
 &rst
  ixpk= 6, nxpk= 0, iat= 922, 920, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,  &end
#
#   56 GLN  HA      57 MET  HN     4.540   (#SUP   3.75 )
 &rst
  ixpk= 3, nxpk= 0, iat= 922, 937, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,  &end
#
#   56 GLN  HA      59 ASN  HN     4.310   (#SUP   2.93 )
 &rst
  ixpk= 2, nxpk= 0, iat= 922, 973, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81,  &end
#
#   56 GLN  HG2     56 GLN  HN     4.120   (#SUP   4.62 )
 &rst
  ixpk= 4, nxpk= 0, iat= 927, 920, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62,  &end
#
#   56 GLN  HG3     56 GLN  HN     4.290   (#SUP   4.62 )
 &rst
  ixpk= 4, nxpk= 0, iat= 928, 920, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79,  &end
#
#   56 GLN  HN      56 GLN  QB     3.240   (#SUP   4.61 )
 &rst
  ixpk= 4, nxpk= 0, iat= 920,  -1, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14,
 igr2= 924, 925,
 &end
#
#   56 GLN  HN      57 MET  HN     3.840   (#SUP   3.47 )
 &rst
  ixpk= 3, nxpk= 0, iat= 920, 937, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34,  &end
#
#   57 MET  HA      57 MET  HN     3.920   (#SUP   5.94 )
 &rst
  ixpk= 5, nxpk= 0, iat= 939, 937, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42,  &end
#
#   57 MET  HA      58 LEU  HN     4.600   (#SUP   5.93 )
 &rst
  ixpk= 5, nxpk= 0, iat= 939, 954, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,  &end
#
#   57 MET  HA      60 GLU- HN     4.880   (#SUP   2.13 )
 &rst
  ixpk= 2, nxpk= 0, iat= 939, 987, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,  &end
#
#   57 MET  HB2     57 MET  HN     3.370   (#SUP   5.76 )
 &rst
  ixpk= 5, nxpk= 0, iat= 941, 937, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,  &end
#
#   57 MET  HB2     58 LEU  HN     4.110   (#SUP   5.49 )
 &rst
  ixpk= 5, nxpk= 0, iat= 941, 954, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,  &end
#
#   57 MET  HB3     57 MET  HN     3.980   (#SUP   5.76 )
 &rst
  ixpk= 5, nxpk= 0, iat= 942, 937, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48,  &end
#
#   57 MET  HB3     58 LEU  HN     4.300   (#SUP   5.49 )
 &rst
  ixpk= 5, nxpk= 0, iat= 942, 954, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,  &end
#
#   57 MET  HG2     57 MET  HN     3.800   (#SUP   4.84 )
 &rst
  ixpk= 4, nxpk= 0, iat= 944, 937, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30,  &end
#
#   57 MET  HG3     57 MET  HN     4.100   (#SUP   5.69 )
 &rst
  ixpk= 5, nxpk= 0, iat= 945, 937, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,  &end
#
#   57 MET  HG3     58 LEU  HN     5.360   (#SUP   5.33 )
 &rst
  ixpk= 5, nxpk= 0, iat= 945, 954, r1= 1.30, r2= 1.80, r3= 5.36, r4= 5.86,  &end
#
#   57 MET  HN      58 LEU  HB2    4.630   (#SUP   5.48 )
 &rst
  ixpk= 5, nxpk= 0, iat= 937, 958, r1= 1.30, r2= 1.80, r3= 4.63, r4= 5.13,  &end
#
#   57 MET  HN      58 LEU  HN     3.990   (#SUP   7.50 )
 &rst
  ixpk= 7, nxpk= 0, iat= 937, 954, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49,  &end
#
#   57 MET  HN      59 ASN  HN     5.390   (#SUP   3.94 )
 &rst
  ixpk= 3, nxpk= 0, iat= 937, 973, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,  &end
#
#   58 LEU  HA      58 LEU  HN     3.780   (#SUP   7.30 )
 &rst
  ixpk= 7, nxpk= 0, iat= 956, 954, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,  &end
#
#   58 LEU  HA      59 ASN  HN     4.590   (#SUP   7.27 )
 &rst
  ixpk= 7, nxpk= 0, iat= 956, 973, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09,  &end
#
#   58 LEU  HA      60 GLU- HN     5.500   (#SUP   2.17 )
 &rst
  ixpk= 2, nxpk= 0, iat= 956, 987, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   58 LEU  HB2     58 LEU  HN     3.640   (#SUP   7.86 )
 &rst
  ixpk= 7, nxpk= 0, iat= 958, 954, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14,  &end
#
#   58 LEU  HB2     59 ASN  HN     4.140   (#SUP   6.88 )
 &rst
  ixpk= 6, nxpk= 0, iat= 958, 973, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64,  &end
#
#   58 LEU  HB3     58 LEU  HN     3.760   (#SUP   7.14 )
 &rst
  ixpk= 7, nxpk= 0, iat= 959, 954, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26,  &end
#
#   58 LEU  HB3     59 ASN  HN     4.880   (#SUP   5.81 )
 &rst
  ixpk= 5, nxpk= 0, iat= 959, 973, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,  &end
#
#   58 LEU  HG      58 LEU  HN     4.030   (#SUP   6.66 )
 &rst
  ixpk= 6, nxpk= 0, iat= 961, 954, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53,  &end
#
#   58 LEU  HN      58 LEU  QD2    4.400   (#SUP   6.60 )
 &rst
  ixpk= 6, nxpk= 0, iat= 954,  -1, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
 igr2= 967, 968, 969,
 &end
#
#   58 LEU  HN      59 ASN  HN     3.720   (#SUP   6.21 )
 &rst
  ixpk= 6, nxpk= 0, iat= 954, 973, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22,  &end
#
#   58 LEU  QD2     59 ASN  HN     4.520   (#SUP   6.30 )
 &rst
  ixpk= 6, nxpk= 0, iat=  -1, 973, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,
 igr1= 967, 968, 969,
 &end
#
#   59 ASN  HA      59 ASN  HN     3.890   (#SUP   5.03 )
 &rst
  ixpk= 5, nxpk= 0, iat= 975, 973, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39,  &end
#
#   59 ASN  HA      60 GLU- HN     4.260   (#SUP   4.51 )
 &rst
  ixpk= 4, nxpk= 0, iat= 975, 987, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76,  &end
#
#   59 ASN  HB2     59 ASN  HD21   4.550   (#SUP   2.76 )
 &rst
  ixpk= 2, nxpk= 0, iat= 977, 982, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05,  &end
#
#   59 ASN  HB2     59 ASN  HD22   4.810   (#SUP   2.91 )
 &rst
  ixpk= 2, nxpk= 0, iat= 977, 983, r1= 1.30, r2= 1.80, r3= 4.81, r4= 5.31,  &end
#
#   59 ASN  HB2     59 ASN  HN     3.800   (#SUP   5.73 )
 &rst
  ixpk= 5, nxpk= 0, iat= 977, 973, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30,  &end
#
#   59 ASN  HB2     60 GLU- HN     4.880   (#SUP   5.19 )
 &rst
  ixpk= 5, nxpk= 0, iat= 977, 987, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,  &end
#
#   59 ASN  HB3     59 ASN  HD22   4.350   (#SUP   2.95 )
 &rst
  ixpk= 2, nxpk= 0, iat= 978, 983, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85,  &end
#
#   59 ASN  HB3     59 ASN  HN     3.520   (#SUP   5.38 )
 &rst
  ixpk= 5, nxpk= 0, iat= 978, 973, r1= 1.30, r2= 1.80, r3= 3.52, r4= 4.02,  &end
#
#   59 ASN  HB3     60 GLU- HN     4.960   (#SUP   4.86 )
 &rst
  ixpk= 4, nxpk= 0, iat= 978, 987, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,  &end
#
#   59 ASN  HD21    59 ASN  HD22   2.900   (#SUP   1.93 )
 &rst
  ixpk= 1, nxpk= 0, iat= 982, 983, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40,  &end
#
#   59 ASN  HN      60 GLU- HN     3.740   (#SUP   5.82 )
 &rst
  ixpk= 5, nxpk= 0, iat= 973, 987, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24,  &end
#
#   59 ASN  HN      60 GLU- QB     4.460   (#SUP   3.15 )
 &rst
  ixpk= 3, nxpk= 0, iat= 973,  -1, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51,
 igr2= 991, 992,
 &end
#
#   60 GLU- HA      60 GLU- HN     3.710   (#SUP   6.35 )
 &rst
  ixpk= 6, nxpk= 0, iat= 989, 987, r1= 1.30, r2= 1.80, r3= 3.71, r4= 4.21,  &end
#
#   60 GLU- HG2     60 GLU- HN     4.140   (#SUP   5.64 )
 &rst
  ixpk= 5, nxpk= 0, iat= 994, 987, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64,  &end
#
#   60 GLU- HG3     60 GLU- HN     4.430   (#SUP   4.92 )
 &rst
  ixpk= 4, nxpk= 0, iat= 995, 987, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93,  &end
#
#   60 GLU- HN      60 GLU- QB     3.310   (#SUP   6.23 )
 &rst
  ixpk= 6, nxpk= 0, iat= 987,  -1, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22,
 igr2= 991, 992,
 &end
#
#   60 GLU- HN      61 PRO  HD2    5.500   (#SUP   4.26 )
 &rst
  ixpk= 4, nxpk= 0, iat= 987,1003, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   60 GLU- HN      61 PRO  HD3    5.430   (#SUP   5.49 )
 &rst
  ixpk= 5, nxpk= 0, iat= 987,1004, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,  &end
#
#   61 PRO  HA      62 VAL  HN     3.130   (#SUP   3.89 )
 &rst
  ixpk= 3, nxpk= 0, iat=1012,1016, r1= 1.30, r2= 1.80, r3= 3.13, r4= 3.63,  &end
#
#   61 PRO  HB2     62 VAL  HN     4.220   (#SUP   4.14 )
 &rst
  ixpk= 4, nxpk= 0, iat=1009,1016, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72,  &end
#
#   61 PRO  HB3     62 VAL  HN     4.370   (#SUP   4.27 )
 &rst
  ixpk= 4, nxpk= 0, iat=1010,1016, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87,  &end
#
#   62 VAL  HA      62 VAL  HN     3.990   (#SUP   3.65 )
 &rst
  ixpk= 3, nxpk= 0, iat=1018,1016, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49,  &end
#
#   62 VAL  HA      63 GLN  HN     3.570   (#SUP   3.65 )
 &rst
  ixpk= 3, nxpk= 0, iat=1018,1032, r1= 1.30, r2= 1.80, r3= 3.57, r4= 4.07,  &end
#
#   62 VAL  HB      62 VAL  HN     3.440   (#SUP   3.56 )
 &rst
  ixpk= 3, nxpk= 0, iat=1020,1016, r1= 1.30, r2= 1.80, r3= 3.44, r4= 3.94,  &end
#
#   62 VAL  HB      63 GLN  HN     4.230   (#SUP   3.65 )
 &rst
  ixpk= 3, nxpk= 0, iat=1020,1032, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73,  &end
#
#   62 VAL  HN      62 VAL  QG1    3.590   (#SUP   3.62 )
 &rst
  ixpk= 3, nxpk= 0, iat=1016,  -1, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81,
 igr2=1022,1023,1024,
 &end
#
#   62 VAL  QG2     63 GLN  HN     4.430   (#SUP   3.16 )
 &rst
  ixpk= 3, nxpk= 0, iat=  -1,1032, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82,
 igr1=1026,1027,1028,
 &end
#
#   63 GLN  HA      63 GLN  HN     4.340   (#SUP   4.38 )
 &rst
  ixpk= 4, nxpk= 0, iat=1034,1032, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84,  &end
#
#   63 GLN  HA      64 GLU- HN     3.980   (#SUP   2.33 )
 &rst
  ixpk= 2, nxpk= 0, iat=1034,1049, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48,  &end
#
#   63 GLN  HB3     63 GLN  HN     4.400   (#SUP   3.02 )
 &rst
  ixpk= 3, nxpk= 0, iat=1037,1032, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,  &end
#
#   63 GLN  HG3     63 GLN  HN     4.690   (#SUP   4.39 )
 &rst
  ixpk= 4, nxpk= 0, iat=1040,1032, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19,  &end
#
#   64 GLU- HA      64 GLU- HN     4.810   (#SUP   2.94 )
 &rst
  ixpk= 2, nxpk= 0, iat=1051,1049, r1= 1.30, r2= 1.80, r3= 4.81, r4= 5.31,  &end
#
#   64 GLU- HA      65 ALA  HN     4.400   (#SUP   1.50 )
 &rst
  ixpk= 1, nxpk= 0, iat=1051,1064, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,  &end
#
#   64 GLU- HB2     64 GLU- HN     4.720   (#SUP   2.95 )
 &rst
  ixpk= 2, nxpk= 0, iat=1053,1049, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,  &end
#
#   64 GLU- HB3     64 GLU- HN     4.520   (#SUP   2.76 )
 &rst
  ixpk= 2, nxpk= 0, iat=1054,1049, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02,  &end
#
#   65 ALA  HN      65 ALA  QB     4.900   (#SUP   1.27 )
 &rst
  ixpk= 1, nxpk= 0, iat=1064,  -1, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
 igr2=1068,1069,1070,
 &end


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