NMR Restraints Grid

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

image mrblock_id pdb_id cing stage position program type subtype subsubtype
9939 1p1a cing 1-original 2 AMBER distance NOE simple



#
#    3 HIS  QB      20 ILE  HA       5.020   (#SUP   1.38 )
 &rst
  ixpk= 1, nxpk= 0, iat=  -1, 317, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13,

      rk2=15.0, rk3=15.0, ir6=1, ialtd=0,
 igr1=  26,  27,
 &end
#
#    4 MET  QG      20 ILE  QD1      4.160   (#SUP   2.00 )
 &rst
  ixpk= 2, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=  46,  47,
 igr2= 328, 329, 330,
 &end
#
#    4 MET  QG      22 PRO  QD       4.315   (#SUP   0.75 )
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94,
 igr1=  46,  47,
 igr2= 347, 348,
 &end
#
#    5 GLN  HA       5 GLN  QB       3.685   (#SUP   4.92 )
 &rst
  ixpk= 4, nxpk= 0, iat=  58,  -1, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64,
 igr2=  60,  61,
 &end
#
#    5 GLN  HA       5 GLN  QG       4.115   (#SUP   4.79 )
 &rst
  ixpk= 4, nxpk= 0, iat=  58,  -1, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
 igr2=  63,  64,
 &end
#
#    5 GLN  HA      19 ASP- HA       3.190   (#SUP   8.84 )
 &rst
  ixpk= 8, nxpk= 0, iat=  58, 305, r1= 1.30, r2= 1.80, r3= 3.19, r4= 3.69,  &end
#
#    5 GLN  HA      19 ASP- QB       4.445   (#SUP   4.15 )
 &rst
  ixpk= 4, nxpk= 0, iat=  58,  -1, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49,
 igr2= 307, 308,
 &end
#
#    5 GLN  QB       5 GLN  QE2      3.905   (#SUP   2.70 )
 &rst
  ixpk= 2, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,
 igr1=  60,  61,
 igr2=  68,  69,
 &end
#
#    5 GLN  QB      19 ASP- HA       3.810   (#SUP   4.99 )
 &rst
  ixpk= 4, nxpk= 0, iat=  -1, 305, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78,
 igr1=  60,  61,
 &end
#
#    5 GLN  QG      19 ASP- HA       4.850   (#SUP   3.46 )
 &rst
  ixpk= 3, nxpk= 0, iat=  -1, 305, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94,
 igr1=  63,  64,
 &end
#
#    6 VAL  HA       6 VAL  HB       3.800   (#SUP   2.96 )
 &rst
  ixpk= 2, nxpk= 0, iat=  75,  77, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30,  &end
#
#    6 VAL  HA      67 ILE  MG2      4.590   (#SUP   1.50 )
 &rst
  ixpk= 1, nxpk= 0, iat=  75,  -1, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01,
 igr2=1072,1073,1074,
 &end
#
#    7 THR  HA       7 THR  HB       4.400   (#SUP   3.70 )
 &rst
  ixpk= 3, nxpk= 0, iat=  91,  93, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,  &end
#
#    7 THR  HA       7 THR  MG2      3.390   (#SUP   4.44 )
 &rst
  ixpk= 4, nxpk= 0, iat=  91,  -1, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57,
 igr2=  95,  96,  97,
 &end
#
#    7 THR  HA       8 LEU  HA       5.160   (#SUP   4.97 )
 &rst
  ixpk= 4, nxpk= 0, iat=  91, 105, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,  &end
#
#    7 THR  HA       8 LEU  HG       4.195   (#SUP   3.73 )
 &rst
  ixpk= 3, nxpk= 0, iat=  91, 110, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,  &end
#
#    7 THR  HA      17 LYS+ HA       3.240   (#SUP   4.90 )
 &rst
  ixpk= 4, nxpk= 0, iat=  91, 264, r1= 1.30, r2= 1.80, r3= 3.24, r4= 3.74,  &end
#
#    7 THR  HA      17 LYS+ QD       4.305   (#SUP   3.72 )
 &rst
  ixpk= 3, nxpk= 0, iat=  91,  -1, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
 igr2= 272, 273,
 &end
#
#    7 THR  HB       7 THR  MG2      3.150   (#SUP   3.43 )
 &rst
  ixpk= 3, nxpk= 0, iat=  93,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr2=  95,  96,  97,
 &end
#
#    7 THR  HB      72 PHE  HA       3.500   (#SUP   6.83 )
 &rst
  ixpk= 6, nxpk= 0, iat=  93,1150, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    7 THR  HB      72 PHE  QB       4.225   (#SUP   5.62 )
 &rst
  ixpk= 5, nxpk= 0, iat=  93,  -1, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,
 igr2=1152,1153,
 &end
#
#    7 THR  HB      72 PHE  QD       4.670   (#SUP   3.75 )
 &rst
  ixpk= 3, nxpk= 0, iat=  93,  -1, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,
 igr2=1156,1164,
 &end
#
#    7 THR  MG2      7 THR  HB       3.130   (#SUP   3.43 )
 &rst
  ixpk= 3, nxpk= 0, iat=  -1,  93, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26,
 igr1=  95,  96,  97,
 &end
#
#    7 THR  MG2      8 LEU  HA       5.195   (#SUP   4.27 )
 &rst
  ixpk= 4, nxpk= 0, iat=  -1, 105, r1= 1.30, r2= 1.80, r3= 6.24, r4= 6.74,
 igr1=  95,  96,  97,
 &end
#
#    7 THR  MG2     15 THR  HA       4.825   (#SUP   2.00 )
 &rst
  ixpk= 2, nxpk= 0, iat=  -1, 230, r1= 1.30, r2= 1.80, r3= 5.79, r4= 6.29,
 igr1=  95,  96,  97,
 &end
#
#    7 THR  MG2     15 THR  HB       3.800   (#SUP   0.75 )
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 232, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06,
 igr1=  95,  96,  97,
 &end
#
#    7 THR  MG2     72 PHE  HA       3.745   (#SUP   3.75 )
 &rst
  ixpk= 3, nxpk= 0, iat=  -1,1150, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,
 igr1=  95,  96,  97,
 &end
#
#    7 THR  MG2     72 PHE  QB       3.885   (#SUP   2.73 )
 &rst
  ixpk= 2, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,
 igr1=  95,  96,  97,
 igr2=1152,1153,
 &end
#
#    8 LEU  HA       8 LEU  QB       3.770   (#SUP   5.54 )
 &rst
  ixpk= 5, nxpk= 0, iat= 105,  -1, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73,
 igr2= 107, 108,
 &end
#
#    8 LEU  HA      15 THR  MG2      5.105   (#SUP   1.69 )
 &rst
  ixpk= 1, nxpk= 0, iat= 105,  -1, r1= 1.30, r2= 1.80, r3= 6.13, r4= 6.63,
 igr2= 234, 235, 236,
 &end
#
#    8 LEU  QB      16 PHE  HZ       4.455   (#SUP   4.97 )
 &rst
  ixpk= 4, nxpk= 0, iat=  -1, 254, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
 igr1= 107, 108,
 &end
#
#    8 LEU  QB      16 PHE  HZ       4.455   (#SUP   4.97 )
 &rst
  ixpk= 4, nxpk= 0, iat=  -1, 254, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
 igr1= 107, 108,
 &end
#
#    8 LEU  QB      16 PHE  QD       4.275   (#SUP   4.00 )
 &rst
  ixpk= 4, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1= 107, 108,
 igr2= 250, 258,
 &end
#
#    8 LEU  QB      16 PHE  QE       3.915   (#SUP   4.39 )
 &rst
  ixpk= 4, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43,
 igr1= 107, 108,
 igr2= 252, 256,
 &end
#
#    8 LEU  HG      16 PHE  HZ       4.540   (#SUP   6.08 )
 &rst
  ixpk= 6, nxpk= 0, iat= 110, 254, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,  &end
#
#    8 LEU  HG      16 PHE  QD       4.155   (#SUP   6.83 )
 &rst
  ixpk= 6, nxpk= 0, iat= 110,  -1, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,
 igr2= 250, 258,
 &end
#
#    8 LEU  HG      16 PHE  QE       3.820   (#SUP   6.12 )
 &rst
  ixpk= 6, nxpk= 0, iat= 110,  -1, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95,
 igr2= 252, 256,
 &end
#
#    8 LEU  HG      17 LYS+ HA       4.130   (#SUP   7.11 )
 &rst
  ixpk= 7, nxpk= 0, iat= 110, 264, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63,  &end
#
#    9 LYS+ HA       9 LYS+ QG       4.840   (#SUP   2.60 )
 &rst
  ixpk= 2, nxpk= 0, iat= 124,  -1, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,
 igr2= 129, 130,
 &end
#
#    9 LYS+ HA       9 LYS+ QB       3.890   (#SUP   2.60 )
 &rst
  ixpk= 2, nxpk= 0, iat= 124,  -1, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87,
 igr2= 126, 127,
 &end
#
#    9 LYS+ HA      10 THR  MG2      5.075   (#SUP   2.70 )
 &rst
  ixpk= 2, nxpk= 0, iat= 124,  -1, r1= 1.30, r2= 1.80, r3= 6.09, r4= 6.59,
 igr2= 150, 151, 152,
 &end
#
#    9 LYS+ HA      15 THR  HA       3.255   (#SUP   6.63 )
 &rst
  ixpk= 6, nxpk= 0, iat= 124, 230, r1= 1.30, r2= 1.80, r3= 3.26, r4= 3.76,  &end
#
#    9 LYS+ HA      15 THR  HB       4.740   (#SUP   3.30 )
 &rst
  ixpk= 3, nxpk= 0, iat= 124, 232, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,  &end
#
#    9 LYS+ HA      15 THR  MG2      3.510   (#SUP   6.71 )
 &rst
  ixpk= 6, nxpk= 0, iat= 124,  -1, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72,
 igr2= 234, 235, 236,
 &end
#
#    9 LYS+ HA      16 PHE  QE       4.955   (#SUP   4.99 )
 &rst
  ixpk= 4, nxpk= 0, iat= 124,  -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
 igr2= 252, 256,
 &end
#
#    9 LYS+ QE      72 PHE  QD       5.150   (#SUP   3.65 )
 &rst
  ixpk= 3, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
 igr1= 135, 136,
 igr2=1156,1164,
 &end
#
#    9 LYS+ QE      72 PHE  QE       5.180   (#SUP   2.96 )
 &rst
  ixpk= 2, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.53, r4= 7.03,
 igr1= 135, 136,
 igr2=1158,1162,
 &end
#
#    9 LYS+ QG      72 PHE  QD       4.640   (#SUP   5.27 )
 &rst
  ixpk= 5, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.85, r4= 6.35,
 igr1= 129, 130,
 igr2=1156,1164,
 &end
#
#    9 LYS+ QG      72 PHE  QE       4.625   (#SUP   3.30 )
 &rst
  ixpk= 3, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.83, r4= 6.33,
 igr1= 129, 130,
 igr2=1158,1162,
 &end
#
#    9 LYS+ QB      72 PHE  QD       4.300   (#SUP   4.13 )
 &rst
  ixpk= 4, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,
 igr1= 126, 127,
 igr2=1156,1164,
 &end
#
#    9 LYS+ QB      74 VAL  HA       4.505   (#SUP   2.00 )
 &rst
  ixpk= 2, nxpk= 0, iat=  -1,1186, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,
 igr1= 126, 127,
 &end
#
#    9 LYS+ QD      72 PHE  QD       4.085   (#SUP   4.90 )
 &rst
  ixpk= 4, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,
 igr1= 132, 133,
 igr2=1156,1164,
 &end
#
#    9 LYS+ QD      72 PHE  QE       4.625   (#SUP   3.65 )
 &rst
  ixpk= 3, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.83, r4= 6.33,
 igr1= 132, 133,
 igr2=1158,1162,
 &end
#
#   10 THR  HA      10 THR  HB       3.450   (#SUP   3.22 )
 &rst
  ixpk= 3, nxpk= 0, iat= 146, 148, r1= 1.30, r2= 1.80, r3= 3.45, r4= 3.95,  &end
#
#   10 THR  HA      10 THR  MG2      3.600   (#SUP   3.66 )
 &rst
  ixpk= 3, nxpk= 0, iat= 146,  -1, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82,
 igr2= 150, 151, 152,
 &end
#
#   10 THR  HA      75 VAL  HB       4.695   (#SUP   1.78 )
 &rst
  ixpk= 1, nxpk= 0, iat= 146,1204, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,  &end
#
#   10 THR  HB      10 THR  MG2      3.200   (#SUP   3.44 )
 &rst
  ixpk= 3, nxpk= 0, iat= 148,  -1, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34,
 igr2= 150, 151, 152,
 &end
#
#   10 THR  MG2     15 THR  HA       5.405   (#SUP   5.81 )
 &rst
  ixpk= 5, nxpk= 0, iat=  -1, 230, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
 igr1= 150, 151, 152,
 &end
#
#   10 THR  MG2     16 PHE  HZ       4.845   (#SUP   2.07 )
 &rst
  ixpk= 2, nxpk= 0, iat=  -1, 254, r1= 1.30, r2= 1.80, r3= 5.82, r4= 6.32,
 igr1= 150, 151, 152,
 &end
#
#   10 THR  MG2     16 PHE  QD       4.135   (#SUP   3.00 )
 &rst
  ixpk= 3, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07,
 igr1= 150, 151, 152,
 igr2= 250, 258,
 &end
#
#   10 THR  MG2     16 PHE  QE       3.565   (#SUP   4.26 )
 &rst
  ixpk= 4, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.81, r4= 5.31,
 igr1= 150, 151, 152,
 igr2= 252, 256,
 &end
#
#   10 THR  MG2     42 PHE  HZ       3.680   (#SUP   0.75 )
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 675, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92,
 igr1= 150, 151, 152,
 &end
#
#   10 THR  MG2     42 PHE  QE       3.870   (#SUP   0.75 )
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
 igr1= 150, 151, 152,
 igr2= 673, 677,
 &end
#
#   11 LEU  HA      11 LEU  QB       3.470   (#SUP   4.58 )
 &rst
  ixpk= 4, nxpk= 0, iat= 160,  -1, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39,
 igr2= 162, 163,
 &end
#
#   12 GLN  HA      12 GLN  QB       4.005   (#SUP   2.88 )
 &rst
  ixpk= 2, nxpk= 0, iat= 179,  -1, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,
 igr2= 181, 182,
 &end
#
#   12 GLN  HA      12 GLN  QG       3.165   (#SUP   3.62 )
 &rst
  ixpk= 3, nxpk= 0, iat= 179,  -1, r1= 1.30, r2= 1.80, r3= 3.55, r4= 4.05,
 igr2= 184, 185,
 &end
#
#   12 GLN  HA      13 GLN  QE2      4.765   (#SUP   4.62 )
 &rst
  ixpk= 4, nxpk= 0, iat= 179,  -1, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85,
 igr2= 206, 207,
 &end
#
#   12 GLN  HA      13 GLN  QG       4.635   (#SUP   3.89 )
 &rst
  ixpk= 3, nxpk= 0, iat= 179,  -1, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,
 igr2= 201, 202,
 &end
#
#   13 GLN  HA      13 GLN  QG       4.115   (#SUP   3.37 )
 &rst
  ixpk= 3, nxpk= 0, iat= 196,  -1, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
 igr2= 201, 202,
 &end
#
#   13 GLN  HA      13 GLN  QB       3.820   (#SUP   2.83 )
 &rst
  ixpk= 2, nxpk= 0, iat= 196,  -1, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79,
 igr2= 198, 199,
 &end
#
#   14 GLN  HA      14 GLN  QB       3.785   (#SUP   3.87 )
 &rst
  ixpk= 3, nxpk= 0, iat= 213,  -1, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75,
 igr2= 215, 216,
 &end
#
#   14 GLN  HA      14 GLN  QG       3.810   (#SUP   4.00 )
 &rst
  ixpk= 4, nxpk= 0, iat= 213,  -1, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78,
 igr2= 218, 219,
 &end
#
#   14 GLN  QB      16 PHE  QD       4.425   (#SUP   2.33 )
 &rst
  ixpk= 2, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08,
 igr1= 215, 216,
 igr2= 250, 258,
 &end
#
#   14 GLN  QG      16 PHE  QD       4.935   (#SUP   2.33 )
 &rst
  ixpk= 2, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
 igr1= 218, 219,
 igr2= 250, 258,
 &end
#
#   15 THR  HA      15 THR  HB       3.400   (#SUP   3.74 )
 &rst
  ixpk= 3, nxpk= 0, iat= 230, 232, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90,  &end
#
#   15 THR  HA      15 THR  MG2      3.485   (#SUP   4.85 )
 &rst
  ixpk= 4, nxpk= 0, iat= 230,  -1, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69,
 igr2= 234, 235, 236,
 &end
#
#   15 THR  HA      16 PHE  QD       4.420   (#SUP   5.82 )
 &rst
  ixpk= 5, nxpk= 0, iat= 230,  -1, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,
 igr2= 250, 258,
 &end
#
#   15 THR  HB      15 THR  MG2      3.340   (#SUP   3.73 )
 &rst
  ixpk= 3, nxpk= 0, iat= 232,  -1, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51,
 igr2= 234, 235, 236,
 &end
#
#   15 THR  MG2     16 PHE  HA       4.830   (#SUP   4.39 )
 &rst
  ixpk= 4, nxpk= 0, iat=  -1, 244, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
 igr1= 234, 235, 236,
 &end
#
#   15 THR  MG2     72 PHE  QD       4.715   (#SUP   0.75 )
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1= 234, 235, 236,
 igr2=1156,1164,
 &end
#
#   15 THR  MG2     72 PHE  QE       4.890   (#SUP   0.75 )
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,
 igr1= 234, 235, 236,
 igr2=1158,1162,
 &end
#
#   16 PHE  HA      16 PHE  QB       3.140   (#SUP   4.44 )
 &rst
  ixpk= 4, nxpk= 0, iat= 244,  -1, r1= 1.30, r2= 1.80, r3= 3.52, r4= 4.02,
 igr2= 246, 247,
 &end
#
#   16 PHE  HA      16 PHE  QD       4.020   (#SUP   6.49 )
 &rst
  ixpk= 6, nxpk= 0, iat= 244,  -1, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01,
 igr2= 250, 258,
 &end
#
#   16 PHE  QB      16 PHE  QD       3.270   (#SUP   6.01 )
 &rst
  ixpk= 6, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62,
 igr1= 246, 247,
 igr2= 250, 258,
 &end
#
#   16 PHE  QB      16 PHE  QD       3.270   (#SUP   6.01 )
 &rst
  ixpk= 6, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62,
 igr1= 246, 247,
 igr2= 250, 258,
 &end
#
#   16 PHE  HZ      33 ILE  QG1      4.510   (#SUP   2.96 )
 &rst
  ixpk= 2, nxpk= 0, iat= 254,  -1, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,
 igr2= 540, 541,
 &end
#
#   16 PHE  HZ      33 ILE  QD1      3.685   (#SUP   2.44 )
 &rst
  ixpk= 2, nxpk= 0, iat= 254,  -1, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93,
 igr2= 543, 544, 545,
 &end
#
#   16 PHE  HZ      33 ILE  MG2      4.535   (#SUP   2.44 )
 &rst
  ixpk= 2, nxpk= 0, iat= 254,  -1, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95,
 igr2= 536, 537, 538,
 &end
#
#   16 PHE  QD      16 PHE  QB       3.260   (#SUP   6.01 )
 &rst
  ixpk= 6, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,
 igr1= 250, 258,
 igr2= 246, 247,
 &end
#
#   16 PHE  QD      16 PHE  HZ       4.375   (#SUP   3.81 )
 &rst
  ixpk= 3, nxpk= 0, iat=  -1, 254, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,
 igr1= 250, 258,
 &end
#
#   16 PHE  QD      16 PHE  QE       3.620   (#SUP   4.63 )
 &rst
  ixpk= 4, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06,
 igr1= 250, 258,
 igr2= 252, 256,
 &end
#
#   16 PHE  QD      17 LYS+ HA       4.835   (#SUP   5.12 )
 &rst
  ixpk= 5, nxpk= 0, iat=  -1, 264, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,
 igr1= 250, 258,
 &end
#
#   16 PHE  QD      18 ILE  QD1      4.040   (#SUP   2.33 )
 &rst
  ixpk= 2, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25,
 igr1= 250, 258,
 igr2= 297, 298, 299,
 &end
#
#   16 PHE  QD      18 ILE  QG1      3.980   (#SUP   2.74 )
 &rst
  ixpk= 2, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51,
 igr1= 250, 258,
 igr2= 294, 295,
 &end
#
#   16 PHE  QD      32 LYS+ QD       4.715   (#SUP   0.75 )
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.40, r4= 6.90,
 igr1= 250, 258,
 igr2= 518, 519,
 &end
#
#   16 PHE  QE      16 PHE  HZ       3.055   (#SUP   1.31 )
 &rst
  ixpk= 1, nxpk= 0, iat=  -1, 254, r1= 1.30, r2= 1.80, r3= 3.43, r4= 3.93,
 igr1= 252, 256,
 &end
#
#   16 PHE  QE      16 PHE  QD       3.360   (#SUP   4.63 )
 &rst
  ixpk= 4, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73,
 igr1= 252, 256,
 igr2= 250, 258,
 &end
#
#   16 PHE  QE      18 ILE  QG1      4.095   (#SUP   0.75 )
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
 igr1= 252, 256,
 igr2= 294, 295,
 &end
#
#   16 PHE  QE      32 LYS+ QD       5.145   (#SUP   4.04 )
 &rst
  ixpk= 4, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.48, r4= 6.98,
 igr1= 252, 256,
 igr2= 518, 519,
 &end
#
#   16 PHE  QE      33 ILE  HA       4.165   (#SUP   4.08 )
 &rst
  ixpk= 4, nxpk= 0, iat=  -1, 532, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,
 igr1= 252, 256,
 &end
#
#   16 PHE  QE      33 ILE  HB       4.570   (#SUP   4.08 )
 &rst
  ixpk= 4, nxpk= 0, iat=  -1, 534, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63,
 igr1= 252, 256,
 &end
#
#   16 PHE  QE      33 ILE  QG1      4.255   (#SUP   5.98 )
 &rst
  ixpk= 5, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.36, r4= 5.86,
 igr1= 252, 256,
 igr2= 540, 541,
 &end
#
#   16 PHE  QE      33 ILE  QD1      3.870   (#SUP   5.52 )
 &rst
  ixpk= 5, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
 igr1= 252, 256,
 igr2= 543, 544, 545,
 &end
#
#   16 PHE  QE      33 ILE  MG2      3.730   (#SUP   5.52 )
 &rst
  ixpk= 5, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,
 igr1= 252, 256,
 igr2= 536, 537, 538,
 &end
#
#   17 LYS+ HA      17 LYS+ QB       3.750   (#SUP   3.56 )
 &rst
  ixpk= 3, nxpk= 0, iat= 264,  -1, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71,
 igr2= 266, 267,
 &end
#
#   17 LYS+ HA      17 LYS+ QG       3.790   (#SUP   3.09 )
 &rst
  ixpk= 3, nxpk= 0, iat= 264,  -1, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75,
 igr2= 269, 270,
 &end
#
#   18 ILE  HB      19 ASP- HA       4.940   (#SUP   1.75 )
 &rst
  ixpk= 1, nxpk= 0, iat= 288, 305, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,  &end
#
#   18 ILE  MG2     33 ILE  HA       4.640   (#SUP   0.73 )
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 532, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
 igr1= 290, 291, 292,
 &end
#
#   19 ASP- HA      19 ASP- QB       3.245   (#SUP   4.13 )
 &rst
  ixpk= 4, nxpk= 0, iat= 305,  -1, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14,
 igr2= 307, 308,
 &end
#
#   19 ASP- HA      20 ILE  HA       4.795   (#SUP   4.90 )
 &rst
  ixpk= 4, nxpk= 0, iat= 305, 317, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,  &end
#
#   19 ASP- HA      20 ILE  QD1      3.250   (#SUP   4.30 )
 &rst
  ixpk= 4, nxpk= 0, iat= 305,  -1, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40,
 igr2= 328, 329, 330,
 &end
#
#   19 ASP- HA      20 ILE  MG2      5.220   (#SUP   4.13 )
 &rst
  ixpk= 4, nxpk= 0, iat= 305,  -1, r1= 1.30, r2= 1.80, r3= 6.27, r4= 6.77,
 igr2= 321, 322, 323,
 &end
#
#   19 ASP- QB      20 ILE  HA       4.315   (#SUP   3.37 )
 &rst
  ixpk= 3, nxpk= 0, iat=  -1, 317, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
 igr1= 307, 308,
 &end
#
#   20 ILE  HA      20 ILE  HB       2.850   (#SUP   4.99 )
 &rst
  ixpk= 4, nxpk= 0, iat= 317, 319, r1= 1.30, r2= 1.80, r3= 2.85, r4= 3.35,  &end
#
#   20 ILE  HA      20 ILE  QD1      3.855   (#SUP   4.97 )
 &rst
  ixpk= 4, nxpk= 0, iat= 317,  -1, r1= 1.30, r2= 1.80, r3= 4.63, r4= 5.13,
 igr2= 328, 329, 330,
 &end
#
#   20 ILE  HA      20 ILE  MG2      3.170   (#SUP   5.03 )
 &rst
  ixpk= 5, nxpk= 0, iat= 317,  -1, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31,
 igr2= 321, 322, 323,
 &end
#
#   20 ILE  QD1     28 ALA  MB       4.850   (#SUP   0.73 )
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.99, r4= 7.49,
 igr1= 328, 329, 330,
 igr2= 446, 447, 448,
 &end
#
#   20 ILE  QG1     24 GLU- QG       4.480   (#SUP   0.75 )
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.64, r4= 6.14,
 igr1= 325, 326,
 igr2= 382, 383,
 &end
#
#   20 ILE  MG2     32 LYS+ QE       3.970   (#SUP   2.40 )
 &rst
  ixpk= 2, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85,
 igr1= 321, 322, 323,
 igr2= 521, 522,
 &end
#
#   21 ASP- HA      21 ASP- QB       4.170   (#SUP   2.72 )
 &rst
  ixpk= 2, nxpk= 0, iat= 336,  -1, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,
 igr2= 338, 339,
 &end
#
#   21 ASP- HA      22 PRO  QD       3.285   (#SUP   3.54 )
 &rst
  ixpk= 3, nxpk= 0, iat= 336,  -1, r1= 1.30, r2= 1.80, r3= 3.69, r4= 4.19,
 igr2= 347, 348,
 &end
#
#   22 PRO  HA      22 PRO  QB       4.520   (#SUP   3.97 )
 &rst
  ixpk= 3, nxpk= 0, iat= 356,  -1, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,
 igr2= 353, 354,
 &end
#
#   22 PRO  HA      22 PRO  QG       3.160   (#SUP   3.97 )
 &rst
  ixpk= 3, nxpk= 0, iat= 356,  -1, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40,
 igr2= 350, 351,
 &end
#
#   22 PRO  QB      22 PRO  HA       5.330   (#SUP   3.97 )
 &rst
  ixpk= 3, nxpk= 0, iat=  -1, 356, r1= 1.30, r2= 1.80, r3= 5.98, r4= 6.48,
 igr1= 353, 354,
 &end
#
#   22 PRO  QB      22 PRO  QD       3.390   (#SUP   4.92 )
 &rst
  ixpk= 4, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,
 igr1= 353, 354,
 igr2= 347, 348,
 &end
#
#   22 PRO  QB      22 PRO  HA       5.330   (#SUP   3.97 )
 &rst
  ixpk= 3, nxpk= 0, iat=  -1, 356, r1= 1.30, r2= 1.80, r3= 5.98, r4= 6.48,
 igr1= 353, 354,
 &end
#
#   22 PRO  QD      22 PRO  QB       3.530   (#SUP   4.92 )
 &rst
  ixpk= 4, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95,
 igr1= 347, 348,
 igr2= 353, 354,
 &end
#
#   22 PRO  QD      22 PRO  QG       3.320   (#SUP   4.92 )
 &rst
  ixpk= 4, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68,
 igr1= 347, 348,
 igr2= 350, 351,
 &end
#
#   22 PRO  QG      22 PRO  QD       3.450   (#SUP   4.92 )
 &rst
  ixpk= 4, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85,
 igr1= 350, 351,
 igr2= 347, 348,
 &end
#
#   23 GLU- HA      23 GLU- QB       3.690   (#SUP   4.75 )
 &rst
  ixpk= 4, nxpk= 0, iat= 362,  -1, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64,
 igr2= 364, 365,
 &end
#
#   23 GLU- HA      23 GLU- QG       4.050   (#SUP   3.68 )
 &rst
  ixpk= 3, nxpk= 0, iat= 362,  -1, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05,
 igr2= 367, 368,
 &end
#
#   23 GLU- HA      63 LYS+ QG       4.470   (#SUP   0.75 )
 &rst
  ixpk= 0, nxpk= 0, iat= 362,  -1, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52,
 igr2= 993, 994,
 &end
#
#   23 GLU- HA      63 LYS+ QD       3.860   (#SUP   2.64 )
 &rst
  ixpk= 2, nxpk= 0, iat= 362,  -1, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,
 igr2= 996, 997,
 &end
#
#   24 GLU- HA      24 GLU- QB       3.030   (#SUP   2.49 )
 &rst
  ixpk= 2, nxpk= 0, iat= 377,  -1, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90,
 igr2= 379, 380,
 &end
#
#   24 GLU- HA      24 GLU- QG       3.925   (#SUP   3.25 )
 &rst
  ixpk= 3, nxpk= 0, iat= 377,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr2= 382, 383,
 &end
#
#   25 THR  HA      25 THR  MG2      3.425   (#SUP   2.85 )
 &rst
  ixpk= 2, nxpk= 0, iat= 392,  -1, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,
 igr2= 396, 397, 398,
 &end
#
#   25 THR  HA      61 ALA  HA       3.060   (#SUP   4.09 )
 &rst
  ixpk= 4, nxpk= 0, iat= 392, 959, r1= 1.30, r2= 1.80, r3= 3.06, r4= 3.56,  &end
#
#   25 THR  HA      61 ALA  MB       4.330   (#SUP   5.44 )
 &rst
  ixpk= 5, nxpk= 0, iat= 392,  -1, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,
 igr2= 961, 962, 963,
 &end
#
#   25 THR  HB      25 THR  MG2      3.190   (#SUP   2.85 )
 &rst
  ixpk= 2, nxpk= 0, iat= 394,  -1, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33,
 igr2= 396, 397, 398,
 &end
#
#   25 THR  HB      61 ALA  HA       4.375   (#SUP   1.27 )
 &rst
  ixpk= 1, nxpk= 0, iat= 394, 959, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,  &end
#
#   25 THR  MG2     25 THR  HB       3.080   (#SUP   2.85 )
 &rst
  ixpk= 2, nxpk= 0, iat=  -1, 394, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
 igr1= 396, 397, 398,
 &end
#
#   25 THR  MG2     59 ASP- HA       4.160   (#SUP   0.75 )
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 933, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
 igr1= 396, 397, 398,
 &end
#
#   26 VAL  HA      26 VAL  HB       4.050   (#SUP   2.96 )
 &rst
  ixpk= 2, nxpk= 0, iat= 406, 408, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55,  &end
#
#   26 VAL  HA      28 ALA  MB       4.535   (#SUP   3.12 )
 &rst
  ixpk= 3, nxpk= 0, iat= 406,  -1, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95,
 igr2= 446, 447, 448,
 &end
#
#   26 VAL  HA      29 LEU  QB       3.775   (#SUP   3.21 )
 &rst
  ixpk= 3, nxpk= 0, iat= 406,  -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr2= 456, 457,
 &end
#
#   26 VAL  HA      29 LEU  HG       4.180   (#SUP   2.18 )
 &rst
  ixpk= 2, nxpk= 0, iat= 406, 459, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68,  &end
#
#   27 LYS+ HA      27 LYS+ QG       3.885   (#SUP   4.20 )
 &rst
  ixpk= 4, nxpk= 0, iat= 422,  -1, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86,
 igr2= 427, 428,
 &end
#
#   27 LYS+ HA      27 LYS+ QD       3.960   (#SUP   3.46 )
 &rst
  ixpk= 3, nxpk= 0, iat= 422,  -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
 igr2= 430, 431,
 &end
#
#   28 ALA  HA      31 GLU- QB       3.350   (#SUP   0.99 )
 &rst
  ixpk= 0, nxpk= 0, iat= 444,  -1, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
 igr2= 497, 498,
 &end
#
#   28 ALA  MB      29 LEU  HA       4.040   (#SUP   3.52 )
 &rst
  ixpk= 3, nxpk= 0, iat=  -1, 454, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
 igr1= 446, 447, 448,
 &end
#
#   29 LEU  HA      29 LEU  QB       4.000   (#SUP   4.78 )
 &rst
  ixpk= 4, nxpk= 0, iat= 454,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2= 456, 457,
 &end
#
#   29 LEU  HA      29 LEU  HG       3.520   (#SUP   4.44 )
 &rst
  ixpk= 4, nxpk= 0, iat= 454, 459, r1= 1.30, r2= 1.80, r3= 3.52, r4= 4.02,  &end
#
#   29 LEU  HA      32 LYS+ QD       4.040   (#SUP   1.99 )
 &rst
  ixpk= 1, nxpk= 0, iat= 454,  -1, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25,
 igr2= 518, 519,
 &end
#
#   30 LYS+ HA      30 LYS+ QD       3.330   (#SUP   3.86 )
 &rst
  ixpk= 3, nxpk= 0, iat= 473,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2= 481, 482,
 &end
#
#   30 LYS+ HA      30 LYS+ QG       3.615   (#SUP   1.92 )
 &rst
  ixpk= 1, nxpk= 0, iat= 473,  -1, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56,
 igr2= 478, 479,
 &end
#
#   30 LYS+ HA      32 LYS+ QG       3.690   (#SUP   1.68 )
 &rst
  ixpk= 1, nxpk= 0, iat= 473,  -1, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
 igr2= 515, 516,
 &end
#
#   30 LYS+ HA      33 ILE  QG1      3.410   (#SUP   2.22 )
 &rst
  ixpk= 2, nxpk= 0, iat= 473,  -1, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33,
 igr2= 540, 541,
 &end
#
#   30 LYS+ QD      31 GLU- HA       3.365   (#SUP   1.89 )
 &rst
  ixpk= 1, nxpk= 0, iat=  -1, 495, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1= 481, 482,
 &end
#
#   30 LYS+ QD      44 VAL  HA       3.810   (#SUP   0.75 )
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 699, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78,
 igr1= 481, 482,
 &end
#
#   30 LYS+ QG      44 VAL  HA       5.145   (#SUP   0.75 )
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 699, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28,
 igr1= 478, 479,
 &end
#
#   31 GLU- HA      31 GLU- QG       3.655   (#SUP   2.66 )
 &rst
  ixpk= 2, nxpk= 0, iat= 495,  -1, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,
 igr2= 500, 501,
 &end
#
#   32 LYS+ QG      32 LYS+ QE       4.410   (#SUP   1.31 )
 &rst
  ixpk= 1, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
 igr1= 515, 516,
 igr2= 521, 522,
 &end
#
#   33 ILE  HA      33 ILE  HB       3.865   (#SUP   3.08 )
 &rst
  ixpk= 3, nxpk= 0, iat= 532, 534, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37,  &end
#
#   33 ILE  HA      33 ILE  QG1      4.235   (#SUP   4.09 )
 &rst
  ixpk= 4, nxpk= 0, iat= 532,  -1, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25,
 igr2= 540, 541,
 &end
#
#   33 ILE  HA      33 ILE  QD1      3.490   (#SUP   4.38 )
 &rst
  ixpk= 4, nxpk= 0, iat= 532,  -1, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,
 igr2= 543, 544, 545,
 &end
#
#   33 ILE  QG1     42 PHE  QD       4.660   (#SUP   1.09 )
 &rst
  ixpk= 1, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.87, r4= 6.37,
 igr1= 540, 541,
 igr2= 671, 679,
 &end
#
#   33 ILE  QD1     34 GLU- HA       4.530   (#SUP   3.47 )
 &rst
  ixpk= 3, nxpk= 0, iat=  -1, 551, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94,
 igr1= 543, 544, 545,
 &end
#
#   33 ILE  QD1     37 LYS+ QB       4.780   (#SUP   3.24 )
 &rst
  ixpk= 3, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.44, r4= 6.94,
 igr1= 543, 544, 545,
 igr2= 594, 595,
 &end
#
#   33 ILE  QD1     37 LYS+ QG       4.630   (#SUP   3.24 )
 &rst
  ixpk= 3, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.24, r4= 6.74,
 igr1= 543, 544, 545,
 igr2= 597, 598,
 &end
#
#   33 ILE  QD1     42 PHE  HA       4.320   (#SUP   3.34 )
 &rst
  ixpk= 3, nxpk= 0, iat=  -1, 665, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,
 igr1= 543, 544, 545,
 &end
#
#   33 ILE  QD1     42 PHE  QB       3.730   (#SUP   4.99 )
 &rst
  ixpk= 4, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,
 igr1= 543, 544, 545,
 igr2= 667, 668,
 &end
#
#   33 ILE  QD1     42 PHE  QD       3.720   (#SUP   6.76 )
 &rst
  ixpk= 6, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51,
 igr1= 543, 544, 545,
 igr2= 671, 679,
 &end
#
#   33 ILE  QD1     42 PHE  QE       4.765   (#SUP   2.78 )
 &rst
  ixpk= 2, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.42, r4= 6.92,
 igr1= 543, 544, 545,
 igr2= 673, 677,
 &end
#
#   34 GLU- HA      34 GLU- QB       3.830   (#SUP   3.37 )
 &rst
  ixpk= 3, nxpk= 0, iat= 551,  -1, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,
 igr2= 553, 554,
 &end
#
#   34 GLU- HA      42 PHE  QB       4.410   (#SUP   3.87 )
 &rst
  ixpk= 3, nxpk= 0, iat= 551,  -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr2= 667, 668,
 &end
#
#   34 GLU- HA      42 PHE  QD       4.905   (#SUP   4.21 )
 &rst
  ixpk= 4, nxpk= 0, iat= 551,  -1, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01,
 igr2= 671, 679,
 &end
#
#   34 GLU- QB      39 LYS+ HA       4.905   (#SUP   0.75 )
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 621, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01,
 igr1= 553, 554,
 &end
#
#   34 GLU- QG      43 PRO  HA       4.570   (#SUP   0.75 )
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 693, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63,
 igr1= 556, 557,
 &end
#
#   35 SER  HA      35 SER  QB       3.140   (#SUP   2.48 )
 &rst
  ixpk= 2, nxpk= 0, iat= 566,  -1, r1= 1.30, r2= 1.80, r3= 3.52, r4= 4.02,
 igr2= 568, 569,
 &end
#
#   35 SER  QB      36 GLU- QG       4.260   (#SUP   2.97 )
 &rst
  ixpk= 2, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,
 igr1= 568, 569,
 igr2= 582, 583,
 &end
#
#   36 GLU- HA      36 GLU- QG       3.565   (#SUP   2.19 )
 &rst
  ixpk= 2, nxpk= 0, iat= 577,  -1, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
 igr2= 582, 583,
 &end
#
#   36 GLU- QB      37 LYS+ QG       4.180   (#SUP   4.31 )
 &rst
  ixpk= 4, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77,
 igr1= 579, 580,
 igr2= 597, 598,
 &end
#
#   37 LYS+ HA      37 LYS+ QD       4.060   (#SUP   4.21 )
 &rst
  ixpk= 4, nxpk= 0, iat= 592,  -1, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06,
 igr2= 600, 601,
 &end
#
#   37 LYS+ HA      37 LYS+ QG       4.230   (#SUP   6.33 )
 &rst
  ixpk= 6, nxpk= 0, iat= 592,  -1, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25,
 igr2= 597, 598,
 &end
#
#   37 LYS+ HA      42 PHE  QD       4.510   (#SUP   5.25 )
 &rst
  ixpk= 5, nxpk= 0, iat= 592,  -1, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,
 igr2= 671, 679,
 &end
#
#   37 LYS+ QB      37 LYS+ QG       3.645   (#SUP   6.00 )
 &rst
  ixpk= 6, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09,
 igr1= 594, 595,
 igr2= 597, 598,
 &end
#
#   37 LYS+ QB      42 PHE  QD       3.670   (#SUP   8.50 )
 &rst
  ixpk= 8, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
 igr1= 594, 595,
 igr2= 671, 679,
 &end
#
#   37 LYS+ QB      42 PHE  QE       4.400   (#SUP   4.52 )
 &rst
  ixpk= 4, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,
 igr1= 594, 595,
 igr2= 673, 677,
 &end
#
#   37 LYS+ QB      37 LYS+ QG       3.645   (#SUP   6.00 )
 &rst
  ixpk= 6, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09,
 igr1= 594, 595,
 igr2= 597, 598,
 &end
#
#   37 LYS+ QB      42 PHE  QD       3.670   (#SUP   8.50 )
 &rst
  ixpk= 8, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
 igr1= 594, 595,
 igr2= 671, 679,
 &end
#
#   37 LYS+ QB      42 PHE  QE       4.400   (#SUP   4.52 )
 &rst
  ixpk= 4, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,
 igr1= 594, 595,
 igr2= 673, 677,
 &end
#
#   37 LYS+ QD      42 PHE  QD       4.250   (#SUP   5.25 )
 &rst
  ixpk= 5, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85,
 igr1= 600, 601,
 igr2= 671, 679,
 &end
#
#   37 LYS+ QG      37 LYS+ QD       3.745   (#SUP   6.57 )
 &rst
  ixpk= 6, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 597, 598,
 igr2= 600, 601,
 &end
#
#   37 LYS+ QG      42 PHE  QD       4.475   (#SUP   7.32 )
 &rst
  ixpk= 7, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.64, r4= 6.14,
 igr1= 597, 598,
 igr2= 671, 679,
 &end
#
#   37 LYS+ QG      42 PHE  QE       4.690   (#SUP   3.77 )
 &rst
  ixpk= 3, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.91, r4= 6.41,
 igr1= 597, 598,
 igr2= 673, 677,
 &end
#
#   39 LYS+ HA      39 LYS+ QB       3.700   (#SUP   1.93 )
 &rst
  ixpk= 1, nxpk= 0, iat= 621,  -1, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65,
 igr2= 623, 624,
 &end
#
#   39 LYS+ HA      43 PRO  HA       3.740   (#SUP   4.75 )
 &rst
  ixpk= 4, nxpk= 0, iat= 621, 693, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24,  &end
#
#   39 LYS+ HA      43 PRO  QB       4.745   (#SUP   2.43 )
 &rst
  ixpk= 2, nxpk= 0, iat= 621,  -1, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83,
 igr2= 690, 691,
 &end
#
#   39 LYS+ QG      39 LYS+ QE       3.830   (#SUP   2.00 )
 &rst
  ixpk= 2, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
 igr1= 626, 627,
 igr2= 632, 633,
 &end
#
#   39 LYS+ QG      43 PRO  HA       4.625   (#SUP   0.75 )
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 693, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,
 igr1= 626, 627,
 &end
#
#   41 ALA  HA      42 PHE  QD       4.820   (#SUP   4.95 )
 &rst
  ixpk= 4, nxpk= 0, iat= 655,  -1, r1= 1.30, r2= 1.80, r3= 5.41, r4= 5.91,
 igr2= 671, 679,
 &end
#
#   41 ALA  MB      42 PHE  HA       4.840   (#SUP   4.48 )
 &rst
  ixpk= 4, nxpk= 0, iat=  -1, 665, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31,
 igr1= 657, 658, 659,
 &end
#
#   41 ALA  MB      42 PHE  QB       4.980   (#SUP   3.44 )
 &rst
  ixpk= 3, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.71, r4= 7.21,
 igr1= 657, 658, 659,
 igr2= 667, 668,
 &end
#
#   41 ALA  MB      42 PHE  QD       3.425   (#SUP   6.80 )
 &rst
  ixpk= 6, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
 igr1= 657, 658, 659,
 igr2= 671, 679,
 &end
#
#   41 ALA  MB      42 PHE  QE       3.760   (#SUP   3.73 )
 &rst
  ixpk= 3, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,
 igr1= 657, 658, 659,
 igr2= 673, 677,
 &end
#
#   42 PHE  HA      42 PHE  QB       3.810   (#SUP   3.82 )
 &rst
  ixpk= 3, nxpk= 0, iat= 665,  -1, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78,
 igr2= 667, 668,
 &end
#
#   42 PHE  HA      42 PHE  QD       3.840   (#SUP   5.91 )
 &rst
  ixpk= 5, nxpk= 0, iat= 665,  -1, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81,
 igr2= 671, 679,
 &end
#
#   42 PHE  QB      42 PHE  QD       3.430   (#SUP   5.49 )
 &rst
  ixpk= 5, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82,
 igr1= 667, 668,
 igr2= 671, 679,
 &end
#
#   42 PHE  QB      42 PHE  QE       4.710   (#SUP   3.33 )
 &rst
  ixpk= 3, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43,
 igr1= 667, 668,
 igr2= 673, 677,
 &end
#
#   42 PHE  QD      42 PHE  QB       3.420   (#SUP   5.49 )
 &rst
  ixpk= 5, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81,
 igr1= 671, 679,
 igr2= 667, 668,
 &end
#
#   42 PHE  QD      42 PHE  HZ       4.710   (#SUP   3.54 )
 &rst
  ixpk= 3, nxpk= 0, iat=  -1, 675, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79,
 igr1= 671, 679,
 &end
#
#   42 PHE  QD      42 PHE  QE       3.030   (#SUP   5.59 )
 &rst
  ixpk= 5, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32,
 igr1= 671, 679,
 igr2= 673, 677,
 &end
#
#   42 PHE  QD      47 GLN  QB       4.070   (#SUP   0.75 )
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63,
 igr1= 671, 679,
 igr2= 734, 735,
 &end
#
#   42 PHE  QD      75 VAL  HB       4.040   (#SUP   1.90 )
 &rst
  ixpk= 1, nxpk= 0, iat=  -1,1204, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
 igr1= 671, 679,
 &end
#
#   42 PHE  QE      42 PHE  QB       4.750   (#SUP   3.33 )
 &rst
  ixpk= 3, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.98, r4= 6.48,
 igr1= 673, 677,
 igr2= 667, 668,
 &end
#
#   42 PHE  QE      42 PHE  HZ       3.365   (#SUP   2.12 )
 &rst
  ixpk= 2, nxpk= 0, iat=  -1, 675, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1= 673, 677,
 &end
#
#   42 PHE  QE      42 PHE  QD       2.980   (#SUP   5.59 )
 &rst
  ixpk= 5, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25,
 igr1= 673, 677,
 igr2= 671, 679,
 &end
#
#   43 PRO  HA      43 PRO  QB       4.370   (#SUP   3.93 )
 &rst
  ixpk= 3, nxpk= 0, iat= 693,  -1, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,
 igr2= 690, 691,
 &end
#
#   43 PRO  HA      43 PRO  QG       3.320   (#SUP   3.27 )
 &rst
  ixpk= 3, nxpk= 0, iat= 693,  -1, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45,
 igr2= 687, 688,
 &end
#
#   44 VAL  HA      47 GLN  QB       4.560   (#SUP   2.25 )
 &rst
  ixpk= 2, nxpk= 0, iat= 699,  -1, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
 igr2= 734, 735,
 &end
#
#   44 VAL  HA      47 GLN  QG       4.085   (#SUP   3.86 )
 &rst
  ixpk= 3, nxpk= 0, iat= 699,  -1, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09,
 igr2= 737, 738,
 &end
#
#   47 GLN  HA      47 GLN  QB       3.645   (#SUP   4.74 )
 &rst
  ixpk= 4, nxpk= 0, iat= 732,  -1, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59,
 igr2= 734, 735,
 &end
#
#   47 GLN  HA      47 GLN  QG       3.670   (#SUP   5.75 )
 &rst
  ixpk= 5, nxpk= 0, iat= 732,  -1, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62,
 igr2= 737, 738,
 &end
#
#   47 GLN  HA      77 VAL  HA       3.525   (#SUP   5.23 )
 &rst
  ixpk= 5, nxpk= 0, iat= 732,1235, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,  &end
#
#   47 GLN  QB      77 VAL  HA       4.360   (#SUP   1.95 )
 &rst
  ixpk= 1, nxpk= 0, iat=  -1,1235, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39,
 igr1= 734, 735,
 &end
#
#   48 LYS+ HA      48 LYS+ QD       3.920   (#SUP   1.52 )
 &rst
  ixpk= 1, nxpk= 0, iat= 749,  -1, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,
 igr2= 757, 758,
 &end
#
#   48 LYS+ HA      49 LEU  HA       4.860   (#SUP   3.57 )
 &rst
  ixpk= 3, nxpk= 0, iat= 749, 771, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,  &end
#
#   48 LYS+ QB      76 MET  QB       4.380   (#SUP   2.27 )
 &rst
  ixpk= 2, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02,
 igr1= 751, 752,
 igr2=1220,1221,
 &end
#
#   48 LYS+ QB      77 VAL  HA       4.560   (#SUP   2.53 )
 &rst
  ixpk= 2, nxpk= 0, iat=  -1,1235, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
 igr1= 751, 752,
 &end
#
#   49 LEU  HA      49 LEU  HG       3.405   (#SUP   4.35 )
 &rst
  ixpk= 4, nxpk= 0, iat= 771, 776, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90,  &end
#
#   49 LEU  HA      49 LEU  QB       3.095   (#SUP   4.35 )
 &rst
  ixpk= 4, nxpk= 0, iat= 771,  -1, r1= 1.30, r2= 1.80, r3= 3.47, r4= 3.97,
 igr2= 773, 774,
 &end
#
#   49 LEU  HA      75 VAL  HA       3.625   (#SUP   7.11 )
 &rst
  ixpk= 7, nxpk= 0, iat= 771,1202, r1= 1.30, r2= 1.80, r3= 3.62, r4= 4.12,  &end
#
#   49 LEU  HA      75 VAL  HB       5.065   (#SUP   1.93 )
 &rst
  ixpk= 1, nxpk= 0, iat= 771,1204, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85,  &end
#
#   50 ILE  HA      50 ILE  HB       3.805   (#SUP   4.75 )
 &rst
  ixpk= 4, nxpk= 0, iat= 790, 792, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31,  &end
#
#   50 ILE  HA      50 ILE  QG1      3.720   (#SUP   4.75 )
 &rst
  ixpk= 4, nxpk= 0, iat= 790,  -1, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68,
 igr2= 798, 799,
 &end
#
#   50 ILE  HA      50 ILE  QD1      3.420   (#SUP   3.93 )
 &rst
  ixpk= 3, nxpk= 0, iat= 790,  -1, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,
 igr2= 801, 802, 803,
 &end
#
#   50 ILE  HA      55 ILE  HA       3.300   (#SUP   6.72 )
 &rst
  ixpk= 6, nxpk= 0, iat= 790, 869, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
#   50 ILE  QD1     53 GLY  QA       4.325   (#SUP   2.59 )
 &rst
  ixpk= 2, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.83, r4= 6.33,
 igr1= 801, 802, 803,
 igr2= 840, 841,
 &end
#
#   50 ILE  QD1     54 LYS+ HA       4.920   (#SUP   2.41 )
 &rst
  ixpk= 2, nxpk= 0, iat=  -1, 847, r1= 1.30, r2= 1.80, r3= 5.91, r4= 6.41,
 igr1= 801, 802, 803,
 &end
#
#   50 ILE  QD1     55 ILE  HA       4.310   (#SUP   5.07 )
 &rst
  ixpk= 5, nxpk= 0, iat=  -1, 869, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68,
 igr1= 801, 802, 803,
 &end
#
#   50 ILE  MG2     55 ILE  HA       4.100   (#SUP   3.69 )
 &rst
  ixpk= 3, nxpk= 0, iat=  -1, 869, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
 igr1= 794, 795, 796,
 &end
#
#   51 TYR  HA      51 TYR  QB       3.685   (#SUP   5.00 )
 &rst
  ixpk= 5, nxpk= 0, iat= 809,  -1, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64,
 igr2= 811, 812,
 &end
#
#   51 TYR  HA      51 TYR  QD       3.185   (#SUP   5.44 )
 &rst
  ixpk= 5, nxpk= 0, iat= 809,  -1, r1= 1.30, r2= 1.80, r3= 3.58, r4= 4.08,
 igr2= 815, 824,
 &end
#
#   51 TYR  HA      51 TYR  QE       4.565   (#SUP   4.76 )
 &rst
  ixpk= 4, nxpk= 0, iat= 809,  -1, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
 igr2= 817, 822,
 &end
#
#   51 TYR  HA      73 VAL  HA       3.940   (#SUP   6.83 )
 &rst
  ixpk= 6, nxpk= 0, iat= 809,1170, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44,  &end
#
#   51 TYR  QB      51 TYR  QD       3.360   (#SUP   5.44 )
 &rst
  ixpk= 5, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73,
 igr1= 811, 812,
 igr2= 815, 824,
 &end
#
#   51 TYR  QB      51 TYR  QE       4.830   (#SUP   4.76 )
 &rst
  ixpk= 4, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.09, r4= 6.59,
 igr1= 811, 812,
 igr2= 817, 822,
 &end
#
#   51 TYR  QB      67 ILE  MG2      4.875   (#SUP   1.50 )
 &rst
  ixpk= 1, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.57, r4= 7.07,
 igr1= 811, 812,
 igr2=1072,1073,1074,
 &end
#
#   51 TYR  QB      73 VAL  HA       4.460   (#SUP   5.62 )
 &rst
  ixpk= 5, nxpk= 0, iat=  -1,1170, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51,
 igr1= 811, 812,
 &end
#
#   51 TYR  QB      51 TYR  QD       3.360   (#SUP   5.44 )
 &rst
  ixpk= 5, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73,
 igr1= 811, 812,
 igr2= 815, 824,
 &end
#
#   51 TYR  QB      51 TYR  QE       4.830   (#SUP   4.76 )
 &rst
  ixpk= 4, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.09, r4= 6.59,
 igr1= 811, 812,
 igr2= 817, 822,
 &end
#
#   51 TYR  QB      56 LEU  HG       4.950   (#SUP   2.67 )
 &rst
  ixpk= 2, nxpk= 0, iat=  -1, 893, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
 igr1= 811, 812,
 &end
#
#   51 TYR  QD      51 TYR  QB       3.370   (#SUP   5.44 )
 &rst
  ixpk= 5, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75,
 igr1= 815, 824,
 igr2= 811, 812,
 &end
#
#   51 TYR  QD      51 TYR  QE       2.790   (#SUP   5.31 )
 &rst
  ixpk= 5, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.52, r4= 4.02,
 igr1= 815, 824,
 igr2= 817, 822,
 &end
#
#   51 TYR  QD      52 ALA  MB       4.020   (#SUP   4.98 )
 &rst
  ixpk= 4, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,
 igr1= 815, 824,
 igr2= 832, 833, 834,
 &end
#
#   51 TYR  QD      54 LYS+ QD       4.060   (#SUP   1.22 )
 &rst
  ixpk= 1, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
 igr1= 815, 824,
 igr2= 855, 856,
 &end
#
#   51 TYR  QD      67 ILE  QD1      4.485   (#SUP   2.42 )
 &rst
  ixpk= 2, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
 igr1= 815, 824,
 igr2=1079,1080,1081,
 &end
#
#   51 TYR  QD      67 ILE  MG2      3.790   (#SUP   3.37 )
 &rst
  ixpk= 3, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61,
 igr1= 815, 824,
 igr2=1072,1073,1074,
 &end
#
#   51 TYR  QD      71 ASN  QB       4.550   (#SUP   0.75 )
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.73, r4= 6.23,
 igr1= 815, 824,
 igr2=1138,1139,
 &end
#
#   51 TYR  QD      73 VAL  HA       3.385   (#SUP   8.89 )
 &rst
  ixpk= 8, nxpk= 0, iat=  -1,1170, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30,
 igr1= 815, 824,
 &end
#
#   51 TYR  QD      73 VAL  HB       4.455   (#SUP   2.93 )
 &rst
  ixpk= 2, nxpk= 0, iat=  -1,1172, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
 igr1= 815, 824,
 &end
#
#   51 TYR  QE      51 TYR  QB       4.540   (#SUP   4.76 )
 &rst
  ixpk= 4, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,
 igr1= 817, 822,
 igr2= 811, 812,
 &end
#
#   51 TYR  QE      51 TYR  QD       2.810   (#SUP   5.31 )
 &rst
  ixpk= 5, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.54, r4= 4.04,
 igr1= 817, 822,
 igr2= 815, 824,
 &end
#
#   51 TYR  QE      52 ALA  MB       4.145   (#SUP   3.55 )
 &rst
  ixpk= 3, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.59, r4= 6.09,
 igr1= 817, 822,
 igr2= 832, 833, 834,
 &end
#
#   51 TYR  QE      67 ILE  HA       3.785   (#SUP   4.21 )
 &rst
  ixpk= 4, nxpk= 0, iat=  -1,1068, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75,
 igr1= 817, 822,
 &end
#
#   51 TYR  QE      67 ILE  QD1      4.450   (#SUP   6.26 )
 &rst
  ixpk= 6, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 817, 822,
 igr2=1079,1080,1081,
 &end
#
#   51 TYR  QE      67 ILE  QG1      4.520   (#SUP   4.72 )
 &rst
  ixpk= 4, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
 igr1= 817, 822,
 igr2=1076,1077,
 &end
#
#   51 TYR  QE      67 ILE  MG2      3.790   (#SUP   7.52 )
 &rst
  ixpk= 7, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61,
 igr1= 817, 822,
 igr2=1072,1073,1074,
 &end
#
#   51 TYR  QE      71 ASN  HA       4.690   (#SUP   3.00 )
 &rst
  ixpk= 3, nxpk= 0, iat=  -1,1136, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76,
 igr1= 817, 822,
 &end
#
#   51 TYR  QE      71 ASN  QB       3.545   (#SUP   4.75 )
 &rst
  ixpk= 4, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97,
 igr1= 817, 822,
 igr2=1138,1139,
 &end
#
#   52 ALA  HA      52 ALA  MB       3.010   (#SUP   2.85 )
 &rst
  ixpk= 2, nxpk= 0, iat= 830,  -1, r1= 1.30, r2= 1.80, r3= 3.61, r4= 4.11,
 igr2= 832, 833, 834,
 &end
#
#   52 ALA  MB      52 ALA  HA       2.970   (#SUP   2.85 )
 &rst
  ixpk= 2, nxpk= 0, iat=  -1, 830, r1= 1.30, r2= 1.80, r3= 3.57, r4= 4.07,
 igr1= 832, 833, 834,
 &end
#
#   54 LYS+ HA      54 LYS+ QB       3.185   (#SUP   3.44 )
 &rst
  ixpk= 3, nxpk= 0, iat= 847,  -1, r1= 1.30, r2= 1.80, r3= 3.58, r4= 4.08,
 igr2= 849, 850,
 &end
#
#   54 LYS+ HA      54 LYS+ QG       3.755   (#SUP   3.34 )
 &rst
  ixpk= 3, nxpk= 0, iat= 847,  -1, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71,
 igr2= 852, 853,
 &end
#
#   54 LYS+ HA      55 ILE  QD1      4.700   (#SUP   1.14 )
 &rst
  ixpk= 1, nxpk= 0, iat= 847,  -1, r1= 1.30, r2= 1.80, r3= 5.64, r4= 6.14,
 igr2= 880, 881, 882,
 &end
#
#   54 LYS+ QG      54 LYS+ QE       4.440   (#SUP   1.72 )
 &rst
  ixpk= 1, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.59, r4= 6.09,
 igr1= 852, 853,
 igr2= 858, 859,
 &end
#
#   55 ILE  HA      55 ILE  MG2      3.140   (#SUP   2.70 )
 &rst
  ixpk= 2, nxpk= 0, iat= 869,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr2= 873, 874, 875,
 &end
#
#   55 ILE  MG2     56 LEU  HA       5.320   (#SUP   3.74 )
 &rst
  ixpk= 3, nxpk= 0, iat=  -1, 888, r1= 1.30, r2= 1.80, r3= 6.39, r4= 6.89,
 igr1= 873, 874, 875,
 &end
#
#   56 LEU  HA      65 TYR  QE       4.080   (#SUP   3.00 )
 &rst
  ixpk= 3, nxpk= 0, iat= 888,  -1, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
 igr2=1033,1038,
 &end
#
#   57 ASN  HA      57 ASN  QB       3.380   (#SUP   3.54 )
 &rst
  ixpk= 3, nxpk= 0, iat= 907,  -1, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29,
 igr2= 909, 910,
 &end
#
#   57 ASN  QB      60 THR  HB       4.320   (#SUP   2.96 )
 &rst
  ixpk= 2, nxpk= 0, iat=  -1, 947, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
 igr1= 909, 910,
 &end
#
#   57 ASN  QB      60 THR  HB       4.320   (#SUP   2.96 )
 &rst
  ixpk= 2, nxpk= 0, iat=  -1, 947, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
 igr1= 909, 910,
 &end
#
#   57 ASN  QB      60 THR  MG2      4.755   (#SUP   1.93 )
 &rst
  ixpk= 1, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.41, r4= 6.91,
 igr1= 909, 910,
 igr2= 949, 950, 951,
 &end
#
#   57 ASN  QB      65 TYR  QD       4.620   (#SUP   1.66 )
 &rst
  ixpk= 1, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.40, r4= 6.90,
 igr1= 909, 910,
 igr2=1031,1040,
 &end
#
#   59 ASP- HA      59 ASP- QB       3.855   (#SUP   2.96 )
 &rst
  ixpk= 2, nxpk= 0, iat= 933,  -1, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,
 igr2= 935, 936,
 &end
#
#   60 THR  HA      60 THR  HB       4.215   (#SUP   2.31 )
 &rst
  ixpk= 2, nxpk= 0, iat= 945, 947, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72,  &end
#
#   60 THR  HA      65 TYR  QE       5.260   (#SUP   3.00 )
 &rst
  ixpk= 3, nxpk= 0, iat= 945,  -1, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,
 igr2=1033,1038,
 &end
#
#   60 THR  HB      65 TYR  QE       3.315   (#SUP   3.00 )
 &rst
  ixpk= 3, nxpk= 0, iat= 947,  -1, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22,
 igr2=1033,1038,
 &end
#
#   60 THR  MG2     64 GLU- HA       4.795   (#SUP   1.30 )
 &rst
  ixpk= 1, nxpk= 0, iat=  -1,1010, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26,
 igr1= 949, 950, 951,
 &end
#
#   60 THR  MG2     65 TYR  QD       4.655   (#SUP   1.69 )
 &rst
  ixpk= 1, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.27, r4= 6.77,
 igr1= 949, 950, 951,
 igr2=1031,1040,
 &end
#
#   60 THR  MG2     65 TYR  QE       3.555   (#SUP   6.19 )
 &rst
  ixpk= 6, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,
 igr1= 949, 950, 951,
 igr2=1033,1038,
 &end
#
#   62 LEU  HA      62 LEU  HG       4.100   (#SUP   3.93 )
 &rst
  ixpk= 3, nxpk= 0, iat= 969, 974, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,  &end
#
#   62 LEU  HA      62 LEU  QB       4.025   (#SUP   4.75 )
 &rst
  ixpk= 4, nxpk= 0, iat= 969,  -1, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02,
 igr2= 971, 972,
 &end
#
#   62 LEU  HA      65 TYR  QB       4.880   (#SUP   3.00 )
 &rst
  ixpk= 3, nxpk= 0, iat= 969,  -1, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98,
 igr2=1027,1028,
 &end
#
#   62 LEU  HA      65 TYR  QD       3.265   (#SUP   6.80 )
 &rst
  ixpk= 6, nxpk= 0, iat= 969,  -1, r1= 1.30, r2= 1.80, r3= 3.66, r4= 4.16,
 igr2=1031,1040,
 &end
#
#   62 LEU  HA      65 TYR  QE       4.260   (#SUP   5.13 )
 &rst
  ixpk= 5, nxpk= 0, iat= 969,  -1, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28,
 igr2=1033,1038,
 &end
#
#   63 LYS+ HA      63 LYS+ QB       3.050   (#SUP   2.95 )
 &rst
  ixpk= 2, nxpk= 0, iat= 988,  -1, r1= 1.30, r2= 1.80, r3= 3.42, r4= 3.92,
 igr2= 990, 991,
 &end
#
#   63 LYS+ HA      63 LYS+ QD       4.240   (#SUP   3.01 )
 &rst
  ixpk= 3, nxpk= 0, iat= 988,  -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
 igr2= 996, 997,
 &end
#
#   63 LYS+ QE      64 GLU- QG       5.105   (#SUP   1.76 )
 &rst
  ixpk= 1, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.43, r4= 6.93,
 igr1= 999,1000,
 igr2=1015,1016,
 &end
#
#   64 GLU- HA      64 GLU- QB       4.600   (#SUP   4.93 )
 &rst
  ixpk= 4, nxpk= 0, iat=1010,  -1, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
 igr2=1012,1013,
 &end
#
#   64 GLU- HA      64 GLU- QG       3.630   (#SUP   3.57 )
 &rst
  ixpk= 3, nxpk= 0, iat=1010,  -1, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57,
 igr2=1015,1016,
 &end
#
#   65 TYR  HA      65 TYR  QB       3.375   (#SUP   3.72 )
 &rst
  ixpk= 3, nxpk= 0, iat=1025,  -1, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29,
 igr2=1027,1028,
 &end
#
#   65 TYR  HA      65 TYR  QD       3.085   (#SUP   5.96 )
 &rst
  ixpk= 5, nxpk= 0, iat=1025,  -1, r1= 1.30, r2= 1.80, r3= 3.46, r4= 3.96,
 igr2=1031,1040,
 &end
#
#   65 TYR  HA      65 TYR  QE       4.645   (#SUP   4.76 )
 &rst
  ixpk= 4, nxpk= 0, iat=1025,  -1, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71,
 igr2=1033,1038,
 &end
#
#   65 TYR  QB      65 TYR  QD       3.170   (#SUP   5.90 )
 &rst
  ixpk= 5, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49,
 igr1=1027,1028,
 igr2=1031,1040,
 &end
#
#   65 TYR  QB      65 TYR  QE       4.180   (#SUP   4.30 )
 &rst
  ixpk= 4, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77,
 igr1=1027,1028,
 igr2=1033,1038,
 &end
#
#   65 TYR  QB      67 ILE  HB       4.160   (#SUP   1.74 )
 &rst
  ixpk= 1, nxpk= 0, iat=  -1,1070, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1=1027,1028,
 &end
#
#   65 TYR  QB      67 ILE  QD1      4.445   (#SUP   2.81 )
 &rst
  ixpk= 2, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
 igr1=1027,1028,
 igr2=1079,1080,1081,
 &end
#
#   65 TYR  QB      65 TYR  QD       3.170   (#SUP   5.90 )
 &rst
  ixpk= 5, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49,
 igr1=1027,1028,
 igr2=1031,1040,
 &end
#
#   65 TYR  QD      65 TYR  QB       3.170   (#SUP   5.90 )
 &rst
  ixpk= 5, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49,
 igr1=1031,1040,
 igr2=1027,1028,
 &end
#
#   65 TYR  QD      65 TYR  QE       2.850   (#SUP   4.74 )
 &rst
  ixpk= 4, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09,
 igr1=1031,1040,
 igr2=1033,1038,
 &end
#
#   65 TYR  QE      65 TYR  QB       4.070   (#SUP   4.30 )
 &rst
  ixpk= 4, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63,
 igr1=1033,1038,
 igr2=1027,1028,
 &end
#
#   65 TYR  QE      65 TYR  QD       2.810   (#SUP   4.74 )
 &rst
  ixpk= 4, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.54, r4= 4.04,
 igr1=1033,1038,
 igr2=1031,1040,
 &end
#
#   66 LYS+ HA      66 LYS+ QB       3.360   (#SUP   3.25 )
 &rst
  ixpk= 3, nxpk= 0, iat=1046,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr2=1048,1049,
 &end
#
#   66 LYS+ HA      66 LYS+ QG       3.430   (#SUP   4.39 )
 &rst
  ixpk= 4, nxpk= 0, iat=1046,  -1, r1= 1.30, r2= 1.80, r3= 3.85, r4= 4.35,
 igr2=1051,1052,
 &end
#
#   66 LYS+ QG      66 LYS+ QE       4.315   (#SUP   1.99 )
 &rst
  ixpk= 1, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94,
 igr1=1051,1052,
 igr2=1057,1058,
 &end
#
#   67 ILE  HA      67 ILE  HB       3.925   (#SUP   5.00 )
 &rst
  ixpk= 5, nxpk= 0, iat=1068,1070, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42,  &end
#
#   67 ILE  HA      67 ILE  QD1      3.510   (#SUP   4.31 )
 &rst
  ixpk= 4, nxpk= 0, iat=1068,  -1, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,
 igr2=1079,1080,1081,
 &end
#
#   67 ILE  HA      67 ILE  QG1      3.505   (#SUP   4.30 )
 &rst
  ixpk= 4, nxpk= 0, iat=1068,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1076,1077,
 &end
#
#   67 ILE  HB      67 ILE  QD1      4.010   (#SUP   4.74 )
 &rst
  ixpk= 4, nxpk= 0, iat=1070,  -1, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32,
 igr2=1079,1080,1081,
 &end
#
#   67 ILE  HB      67 ILE  MG2      2.970   (#SUP   3.81 )
 &rst
  ixpk= 3, nxpk= 0, iat=1070,  -1, r1= 1.30, r2= 1.80, r3= 3.57, r4= 4.07,
 igr2=1072,1073,1074,
 &end
#
#   67 ILE  QD1     67 ILE  QG1      2.860   (#SUP   4.97 )
 &rst
  ixpk= 4, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36,
 igr1=1079,1080,1081,
 igr2=1076,1077,
 &end
#
#   67 ILE  QG1     67 ILE  QD1      2.890   (#SUP   4.97 )
 &rst
  ixpk= 4, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40,
 igr1=1076,1077,
 igr2=1079,1080,1081,
 &end
#
#   67 ILE  MG2     67 ILE  HB       2.960   (#SUP   3.81 )
 &rst
  ixpk= 3, nxpk= 0, iat=  -1,1070, r1= 1.30, r2= 1.80, r3= 3.55, r4= 4.05,
 igr1=1072,1073,1074,
 &end
#
#   67 ILE  MG2     68 ASP- QB       4.655   (#SUP   2.99 )
 &rst
  ixpk= 2, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.27, r4= 6.77,
 igr1=1072,1073,1074,
 igr2=1089,1090,
 &end
#
#   67 ILE  MG2     69 GLU- HA       4.625   (#SUP   2.03 )
 &rst
  ixpk= 2, nxpk= 0, iat=  -1,1099, r1= 1.30, r2= 1.80, r3= 5.55, r4= 6.05,
 igr1=1072,1073,1074,
 &end
#
#   67 ILE  MG2     73 VAL  HA       4.950   (#SUP   0.99 )
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1170, r1= 1.30, r2= 1.80, r3= 6.10, r4= 6.60,
 igr1=1072,1073,1074,
 &end
#
#   67 ILE  MG2     73 VAL  HB       4.700   (#SUP   0.99 )
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1172, r1= 1.30, r2= 1.80, r3= 5.64, r4= 6.14,
 igr1=1072,1073,1074,
 &end
#
#   68 ASP- QB      70 LYS+ QG       4.915   (#SUP   3.34 )
 &rst
  ixpk= 3, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.19, r4= 6.69,
 igr1=1089,1090,
 igr2=1119,1120,
 &end
#
#   69 GLU- HA      69 GLU- QB       4.100   (#SUP   3.87 )
 &rst
  ixpk= 3, nxpk= 0, iat=1099,  -1, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
 igr2=1101,1102,
 &end
#
#   69 GLU- HA      69 GLU- QG       3.610   (#SUP   3.87 )
 &rst
  ixpk= 3, nxpk= 0, iat=1099,  -1, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55,
 igr2=1104,1105,
 &end
#
#   70 LYS+ HA      70 LYS+ QD       3.260   (#SUP   2.00 )
 &rst
  ixpk= 2, nxpk= 0, iat=1114,  -1, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75,
 igr2=1122,1123,
 &end
#
#   71 ASN  HA      71 ASN  QB       4.615   (#SUP   5.06 )
 &rst
  ixpk= 5, nxpk= 0, iat=1136,  -1, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68,
 igr2=1138,1139,
 &end
#
#   71 ASN  HA      72 PHE  QD       4.385   (#SUP   4.09 )
 &rst
  ixpk= 4, nxpk= 0, iat=1136,  -1, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,
 igr2=1156,1164,
 &end
#
#   72 PHE  HA      72 PHE  QB       3.355   (#SUP   5.67 )
 &rst
  ixpk= 5, nxpk= 0, iat=1150,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr2=1152,1153,
 &end
#
#   72 PHE  HA      72 PHE  QD       4.155   (#SUP   6.57 )
 &rst
  ixpk= 6, nxpk= 0, iat=1150,  -1, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,
 igr2=1156,1164,
 &end
#
#   72 PHE  HA      73 VAL  HA       4.985   (#SUP   4.75 )
 &rst
  ixpk= 4, nxpk= 0, iat=1150,1170, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49,  &end
#
#   72 PHE  QB      72 PHE  QD       3.560   (#SUP   5.88 )
 &rst
  ixpk= 5, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1152,1153,
 igr2=1156,1164,
 &end
#
#   72 PHE  QB      73 VAL  HA       4.585   (#SUP   4.34 )
 &rst
  ixpk= 4, nxpk= 0, iat=  -1,1170, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,
 igr1=1152,1153,
 &end
#
#   72 PHE  QB      72 PHE  QD       3.560   (#SUP   5.88 )
 &rst
  ixpk= 5, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1152,1153,
 igr2=1156,1164,
 &end
#
#   72 PHE  QD      72 PHE  QB       3.560   (#SUP   5.88 )
 &rst
  ixpk= 5, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1156,1164,
 igr2=1152,1153,
 &end
#
#   72 PHE  QD      72 PHE  QE       2.950   (#SUP   3.27 )
 &rst
  ixpk= 3, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22,
 igr1=1156,1164,
 igr2=1158,1162,
 &end
#
#   72 PHE  QD      73 VAL  HA       5.075   (#SUP   6.65 )
 &rst
  ixpk= 6, nxpk= 0, iat=  -1,1170, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,
 igr1=1156,1164,
 &end
#
#   72 PHE  QD      74 VAL  HA       4.805   (#SUP   4.33 )
 &rst
  ixpk= 4, nxpk= 0, iat=  -1,1186, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1=1156,1164,
 &end
#
#   72 PHE  QE      72 PHE  QD       2.940   (#SUP   3.27 )
 &rst
  ixpk= 3, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
 igr1=1158,1162,
 igr2=1156,1164,
 &end
#
#   74 VAL  HA      74 VAL  HB       4.020   (#SUP   4.84 )
 &rst
  ixpk= 4, nxpk= 0, iat=1186,1188, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52,  &end
#
#   75 VAL  HA      75 VAL  HB       3.405   (#SUP   3.34 )
 &rst
  ixpk= 3, nxpk= 0, iat=1202,1204, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90,  &end
#
#   77 VAL  HA      77 VAL  HB       3.890   (#SUP   2.93 )
 &rst
  ixpk= 2, nxpk= 0, iat=1235,1237, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39,  &end
#
#   78 THR  HA      78 THR  HB       3.750   (#SUP   3.29 )
 &rst
  ixpk= 3, nxpk= 0, iat=1251,1253, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25,  &end
#
#   78 THR  HB      78 THR  MG2      3.310   (#SUP   3.30 )
 &rst
  ixpk= 3, nxpk= 0, iat=1253,  -1, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48,
 igr2=1255,1256,1257,
 &end
#
#   78 THR  MG2     78 THR  HB       3.270   (#SUP   3.30 )
 &rst
  ixpk= 3, nxpk= 0, iat=  -1,1253, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1255,1256,1257,
 &end
#
#   79 LYS+ HA      79 LYS+ QB       4.130   (#SUP   2.62 )
 &rst
  ixpk= 2, nxpk= 0, iat=1265,  -1, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,
 igr2=1267,1268,
 &end
#
#   79 LYS+ HA      79 LYS+ QD       3.900   (#SUP   3.22 )
 &rst
  ixpk= 3, nxpk= 0, iat=1265,  -1, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,
 igr2=1273,1274,
 &end
#
#   79 LYS+ QD      80 PRO  QD       4.650   (#SUP   3.41 )
 &rst
  ixpk= 3, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36,
 igr1=1273,1274,
 igr2=1286,1287,
 &end
#
#   79 LYS+ QG      80 PRO  QD       4.770   (#SUP   2.33 )
 &rst
  ixpk= 2, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.01, r4= 6.51,
 igr1=1270,1271,
 igr2=1286,1287,
 &end
#
#   80 PRO  HA      80 PRO  QB       4.100   (#SUP   3.00 )
 &rst
  ixpk= 3, nxpk= 0, iat=1295,  -1, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
 igr2=1292,1293,
 &end
#
#   80 PRO  QB      80 PRO  QD       3.840   (#SUP   1.00 )
 &rst
  ixpk= 1, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,
 igr1=1292,1293,
 igr2=1286,1287,
 &end
#
#   80 PRO  QD      80 PRO  QG       3.770   (#SUP   1.00 )
 &rst
  ixpk= 1, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25,
 igr1=1286,1287,
 igr2=1289,1290,
 &end
#
#   80 PRO  QD      80 PRO  QB       3.790   (#SUP   1.00 )
 &rst
  ixpk= 1, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28,
 igr1=1286,1287,
 igr2=1292,1293,
 &end
#
#   80 PRO  QG      80 PRO  QD       3.750   (#SUP   1.00 )
 &rst
  ixpk= 1, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1=1289,1290,
 igr2=1286,1287,
 &end
#
#   81 LYS+ QG      81 LYS+ QE       4.935   (#SUP   1.00 )
 &rst
  ixpk= 1, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
 igr1=1306,1307,
 igr2=1312,1313,
 &end
#
#    3 HIS  HN       3 HIS  QB       4.120   (#SUP   1.00 )
 &rst
  ixpk= 1, nxpk= 0, iat=  22,  -1, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
 igr2=  26,  27,
 &end
#
#    3 HIS  HN       4 MET  HN       5.500   (#SUP   2.17 )
 &rst
  ixpk= 2, nxpk= 0, iat=  22,  39, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    3 HIS  QB       4 MET  HN       3.480   (#SUP   2.17 )
 &rst
  ixpk= 2, nxpk= 0, iat=  -1,  39, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41,
 igr1=  26,  27,
 &end
#
#    3 HIS  QB      20 ILE  HN       4.050   (#SUP   4.15 )
 &rst
  ixpk= 4, nxpk= 0, iat=  -1, 315, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05,
 igr1=  26,  27,
 &end
#
#    3 HIS  QB      21 ASP- HN       5.420   (#SUP   2.96 )
 &rst
  ixpk= 2, nxpk= 0, iat=  -1, 334, r1= 1.30, r2= 1.80, r3= 6.08, r4= 6.58,
 igr1=  26,  27,
 &end
#
#    4 MET  HA       5 GLN  HN       3.220   (#SUP   2.36 )
 &rst
  ixpk= 2, nxpk= 0, iat=  41,  56, r1= 1.30, r2= 1.80, r3= 3.22, r4= 3.72,  &end
#
#    4 MET  QB      20 ILE  HN       5.500   (#SUP   3.75 )
 &rst
  ixpk= 3, nxpk= 0, iat=  -1, 315, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=  43,  44,
 &end
#
#    4 MET  QG      20 ILE  HN       5.180   (#SUP   5.69 )
 &rst
  ixpk= 5, nxpk= 0, iat=  -1, 315, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31,
 igr1=  46,  47,
 &end
#
#    4 MET  QG       5 GLN  HN       4.450   (#SUP   3.09 )
 &rst
  ixpk= 3, nxpk= 0, iat=  -1,  56, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49,
 igr1=  46,  47,
 &end
#
#    4 MET  QG      20 ILE  HN       5.180   (#SUP   5.69 )
 &rst
  ixpk= 5, nxpk= 0, iat=  -1, 315, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31,
 igr1=  46,  47,
 &end
#
#    4 MET  HN       4 MET  QB       4.330   (#SUP   3.34 )
 &rst
  ixpk= 3, nxpk= 0, iat=  39,  -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
 igr2=  43,  44,
 &end
#
#    4 MET  HN       4 MET  QG       4.340   (#SUP   2.72 )
 &rst
  ixpk= 2, nxpk= 0, iat=  39,  -1, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37,
 igr2=  46,  47,
 &end
#
#    4 MET  HN      19 ASP- HA       5.230   (#SUP   4.70 )
 &rst
  ixpk= 4, nxpk= 0, iat=  39, 305, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73,  &end
#
#    4 MET  HN      20 ILE  HN       4.075   (#SUP   8.22 )
 &rst
  ixpk= 8, nxpk= 0, iat=  39, 315, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57,  &end
#
#    4 MET  HN      20 ILE  QD1      4.660   (#SUP   3.87 )
 &rst
  ixpk= 3, nxpk= 0, iat=  39,  -1, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,
 igr2= 328, 329, 330,
 &end
#
#    4 MET  HN      21 ASP- HN       5.500   (#SUP   4.59 )
 &rst
  ixpk= 4, nxpk= 0, iat=  39, 334, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    4 MET  HN      22 PRO  QD       4.530   (#SUP   1.49 )
 &rst
  ixpk= 1, nxpk= 0, iat=  39,  -1, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,
 igr2= 347, 348,
 &end
#
#    5 GLN  HA       6 VAL  HN       3.030   (#SUP   4.29 )
 &rst
  ixpk= 4, nxpk= 0, iat=  58,  73, r1= 1.30, r2= 1.80, r3= 3.03, r4= 3.53,  &end
#
#    5 GLN  HA      18 ILE  HN       4.660   (#SUP   3.52 )
 &rst
  ixpk= 3, nxpk= 0, iat=  58, 284, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,  &end
#
#    5 GLN  HA      19 ASP- HN       5.390   (#SUP   3.00 )
 &rst
  ixpk= 3, nxpk= 0, iat=  58, 303, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,  &end
#
#    5 GLN  HA      20 ILE  HN       4.200   (#SUP   6.05 )
 &rst
  ixpk= 6, nxpk= 0, iat=  58, 315, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,  &end
#
#    5 GLN  QE2     17 LYS+ QD       5.500   (#SUP   0.75 )
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=  68,  69,
 igr2= 272, 273,
 &end
#
#    5 GLN  QE2     17 LYS+ QD       5.500   (#SUP   0.75 )
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=  68,  69,
 igr2= 272, 273,
 &end
#
#    5 GLN  QG       5 GLN  QE2      4.980   (#SUP   2.97 )
 &rst
  ixpk= 2, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.27, r4= 6.77,
 igr1=  63,  64,
 igr2=  68,  69,
 &end
#
#    5 GLN  QG       6 VAL  HN       4.790   (#SUP   3.21 )
 &rst
  ixpk= 3, nxpk= 0, iat=  -1,  73, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88,
 igr1=  63,  64,
 &end
#
#    5 GLN  HN       5 GLN  HA       3.830   (#SUP   6.16 )
 &rst
  ixpk= 6, nxpk= 0, iat=  56,  58, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33,  &end
#
#    5 GLN  HN       5 GLN  QB       3.790   (#SUP   4.46 )
 &rst
  ixpk= 4, nxpk= 0, iat=  56,  -1, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75,
 igr2=  60,  61,
 &end
#
#    5 GLN  HN       5 GLN  QG       3.980   (#SUP   6.01 )
 &rst
  ixpk= 6, nxpk= 0, iat=  56,  -1, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97,
 igr2=  63,  64,
 &end
#
#    5 GLN  HN       6 VAL  HN       4.880   (#SUP   4.24 )
 &rst
  ixpk= 4, nxpk= 0, iat=  56,  73, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,  &end
#
#    5 GLN  HN      19 ASP- HA       5.500   (#SUP   6.49 )
 &rst
  ixpk= 6, nxpk= 0, iat=  56, 305, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    5 GLN  HN      19 ASP- QB       4.300   (#SUP   2.61 )
 &rst
  ixpk= 2, nxpk= 0, iat=  56,  -1, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
 igr2= 307, 308,
 &end
#
#    6 VAL  HA       7 THR  HN       2.990   (#SUP   3.25 )
 &rst
  ixpk= 3, nxpk= 0, iat=  75,  89, r1= 1.30, r2= 1.80, r3= 2.99, r4= 3.49,  &end
#
#    6 VAL  HA      18 ILE  HN       5.500   (#SUP   1.97 )
 &rst
  ixpk= 1, nxpk= 0, iat=  75, 284, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    6 VAL  HB       7 THR  HN       4.290   (#SUP   3.15 )
 &rst
  ixpk= 3, nxpk= 0, iat=  77,  89, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79,  &end
#
#    6 VAL  HB      18 ILE  HN       4.250   (#SUP   1.97 )
 &rst
  ixpk= 1, nxpk= 0, iat=  77, 284, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75,  &end
#
#    6 VAL  HN       6 VAL  HA       4.070   (#SUP   3.16 )
 &rst
  ixpk= 3, nxpk= 0, iat=  73,  75, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57,  &end
#
#    6 VAL  HN       6 VAL  HB       3.410   (#SUP   3.06 )
 &rst
  ixpk= 3, nxpk= 0, iat=  73,  77, r1= 1.30, r2= 1.80, r3= 3.41, r4= 3.91,  &end
#
#    6 VAL  HN      18 ILE  HB       4.210   (#SUP   2.85 )
 &rst
  ixpk= 2, nxpk= 0, iat=  73, 288, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,  &end
#
#    6 VAL  HN      18 ILE  HN       3.955   (#SUP   6.69 )
 &rst
  ixpk= 6, nxpk= 0, iat=  73, 284, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45,  &end
#
#    6 VAL  HN      18 ILE  QG1      4.880   (#SUP   2.26 )
 &rst
  ixpk= 2, nxpk= 0, iat=  73,  -1, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,
 igr2= 294, 295,
 &end
#
#    6 VAL  HN      19 ASP- HA       4.280   (#SUP   6.32 )
 &rst
  ixpk= 6, nxpk= 0, iat=  73, 305, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78,  &end
#
#    7 THR  HA       8 LEU  HN       3.100   (#SUP   5.12 )
 &rst
  ixpk= 5, nxpk= 0, iat=  91, 103, r1= 1.30, r2= 1.80, r3= 3.10, r4= 3.60,  &end
#
#    7 THR  HA      16 PHE  HN       4.650   (#SUP   3.77 )
 &rst
  ixpk= 3, nxpk= 0, iat=  91, 242, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,  &end
#
#    7 THR  HA      17 LYS+ HN       4.990   (#SUP   3.25 )
 &rst
  ixpk= 3, nxpk= 0, iat=  91, 262, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49,  &end
#
#    7 THR  HB       8 LEU  HN       4.940   (#SUP   3.84 )
 &rst
  ixpk= 3, nxpk= 0, iat=  93, 103, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,  &end
#
#    7 THR  HB      72 PHE  HN       5.270   (#SUP   5.62 )
 &rst
  ixpk= 5, nxpk= 0, iat=  93,1148, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77,  &end
#
#    7 THR  HB      73 VAL  HN       5.110   (#SUP   4.62 )
 &rst
  ixpk= 4, nxpk= 0, iat=  93,1168, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61,  &end
#
#    7 THR  HN       7 THR  HA       4.030   (#SUP   4.53 )
 &rst
  ixpk= 4, nxpk= 0, iat=  89,  91, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53,  &end
#
#    7 THR  HN       7 THR  HB       3.600   (#SUP   3.55 )
 &rst
  ixpk= 3, nxpk= 0, iat=  89,  93, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,  &end
#
#    7 THR  HN       7 THR  MG2      4.350   (#SUP   4.00 )
 &rst
  ixpk= 4, nxpk= 0, iat=  89,  -1, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
 igr2=  95,  96,  97,
 &end
#
#    7 THR  HN       8 LEU  HG       4.900   (#SUP   2.26 )
 &rst
  ixpk= 2, nxpk= 0, iat=  89, 110, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,  &end
#
#    7 THR  HN      17 LYS+ HA       5.480   (#SUP   2.54 )
 &rst
  ixpk= 2, nxpk= 0, iat=  89, 264, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98,  &end
#
#    7 THR  HN      17 LYS+ QD       5.500   (#SUP   1.55 )
 &rst
  ixpk= 1, nxpk= 0, iat=  89,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 272, 273,
 &end
#
#    7 THR  HN      67 ILE  MG2      5.330   (#SUP   1.45 )
 &rst
  ixpk= 1, nxpk= 0, iat=  89,  -1, r1= 1.30, r2= 1.80, r3= 6.40, r4= 6.90,
 igr2=1072,1073,1074,
 &end
#
#    7 THR  HN      72 PHE  HA       4.710   (#SUP   1.50 )
 &rst
  ixpk= 1, nxpk= 0, iat=  89,1150, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,  &end
#
#    7 THR  MG2      8 LEU  HN       3.620   (#SUP   4.56 )
 &rst
  ixpk= 4, nxpk= 0, iat=  -1, 103, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85,
 igr1=  95,  96,  97,
 &end
#
#    7 THR  MG2     18 ILE  HN       5.500   (#SUP   1.03 )
 &rst
  ixpk= 1, nxpk= 0, iat=  -1, 284, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=  95,  96,  97,
 &end
#
#    7 THR  MG2     72 PHE  HN       5.270   (#SUP   2.96 )
 &rst
  ixpk= 2, nxpk= 0, iat=  -1,1148, r1= 1.30, r2= 1.80, r3= 6.33, r4= 6.83,
 igr1=  95,  96,  97,
 &end
#
#    8 LEU  HA       9 LYS+ HN       3.140   (#SUP   4.82 )
 &rst
  ixpk= 4, nxpk= 0, iat= 105, 122, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,  &end
#
#    8 LEU  HA      73 VAL  HN       4.570   (#SUP   2.43 )
 &rst
  ixpk= 2, nxpk= 0, iat= 105,1168, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07,  &end
#
#    8 LEU  HA      75 VAL  HN       5.500   (#SUP   1.22 )
 &rst
  ixpk= 1, nxpk= 0, iat= 105,1200, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    8 LEU  QB       9 LYS+ HN       4.660   (#SUP   4.44 )
 &rst
  ixpk= 4, nxpk= 0, iat=  -1, 122, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73,
 igr1= 107, 108,
 &end
#
#    8 LEU  QB      16 PHE  HN       5.090   (#SUP   3.69 )
 &rst
  ixpk= 3, nxpk= 0, iat=  -1, 242, r1= 1.30, r2= 1.80, r3= 5.71, r4= 6.21,
 igr1= 107, 108,
 &end
#
#    8 LEU  QB       9 LYS+ HN       4.660   (#SUP   4.44 )
 &rst
  ixpk= 4, nxpk= 0, iat=  -1, 122, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73,
 igr1= 107, 108,
 &end
#
#    8 LEU  HG      16 PHE  HN       5.040   (#SUP   7.49 )
 &rst
  ixpk= 7, nxpk= 0, iat= 110, 242, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,  &end
#
#    8 LEU  HG      17 LYS+ HN       5.270   (#SUP   4.31 )
 &rst
  ixpk= 4, nxpk= 0, iat= 110, 262, r1= 1.30, r2= 1.80, r3= 5.65, r4= 6.15,  &end
#
#    8 LEU  HG      18 ILE  HN       3.970   (#SUP   1.55 )
 &rst
  ixpk= 1, nxpk= 0, iat= 110, 284, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47,  &end
#
#    8 LEU  HN       8 LEU  HA       4.300   (#SUP   7.18 )
 &rst
  ixpk= 7, nxpk= 0, iat= 103, 105, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,  &end
#
#    8 LEU  HN       8 LEU  QB       4.600   (#SUP   5.75 )
 &rst
  ixpk= 5, nxpk= 0, iat= 103,  -1, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
 igr2= 107, 108,
 &end
#
#    8 LEU  HN       8 LEU  HG       3.700   (#SUP   5.97 )
 &rst
  ixpk= 5, nxpk= 0, iat= 103, 110, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,  &end
#
#    8 LEU  HN       9 LYS+ HN       5.500   (#SUP   4.82 )
 &rst
  ixpk= 4, nxpk= 0, iat= 103, 122, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    8 LEU  HN      15 THR  HA       5.500   (#SUP   2.44 )
 &rst
  ixpk= 2, nxpk= 0, iat= 103, 230, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    8 LEU  HN      16 PHE  HN       3.945   (#SUP   5.78 )
 &rst
  ixpk= 5, nxpk= 0, iat= 103, 242, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44,  &end
#
#    8 LEU  HN      17 LYS+ HA       4.140   (#SUP   3.34 )
 &rst
  ixpk= 3, nxpk= 0, iat= 103, 264, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64,  &end
#
#    8 LEU  HN      17 LYS+ QD       5.200   (#SUP   2.38 )
 &rst
  ixpk= 2, nxpk= 0, iat= 103,  -1, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
 igr2= 272, 273,
 &end
#
#    9 LYS+ HA      10 THR  HN       3.050   (#SUP   4.37 )
 &rst
  ixpk= 4, nxpk= 0, iat= 124, 144, r1= 1.30, r2= 1.80, r3= 3.05, r4= 3.55,  &end
#
#    9 LYS+ HA      15 THR  HN       5.500   (#SUP   3.30 )
 &rst
  ixpk= 3, nxpk= 0, iat= 124, 228, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    9 LYS+ HA      16 PHE  HN       4.230   (#SUP   7.27 )
 &rst
  ixpk= 7, nxpk= 0, iat= 124, 242, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73,  &end
#
#    9 LYS+ QG      10 THR  HN       5.500   (#SUP   2.21 )
 &rst
  ixpk= 2, nxpk= 0, iat=  -1, 144, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 129, 130,
 &end
#
#    9 LYS+ QG      73 VAL  HN       4.080   (#SUP   2.36 )
 &rst
  ixpk= 2, nxpk= 0, iat=  -1,1168, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
 igr1= 129, 130,
 &end
#
#    9 LYS+ QG      10 THR  HN       5.500   (#SUP   2.21 )
 &rst
  ixpk= 2, nxpk= 0, iat=  -1, 144, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 129, 130,
 &end
#
#    9 LYS+ QG      14 GLN  HN       5.000   (#SUP   0.99 )
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 211, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
 igr1= 129, 130,
 &end
#
#    9 LYS+ HN       9 LYS+ HA       4.060   (#SUP   3.61 )
 &rst
  ixpk= 3, nxpk= 0, iat= 122, 124, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56,  &end
#
#    9 LYS+ HN       9 LYS+ QB       3.680   (#SUP   2.41 )
 &rst
  ixpk= 2, nxpk= 0, iat= 122,  -1, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63,
 igr2= 126, 127,
 &end
#
#    9 LYS+ HN      15 THR  MG2      3.550   (#SUP   2.46 )
 &rst
  ixpk= 2, nxpk= 0, iat= 122,  -1, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76,
 igr2= 234, 235, 236,
 &end
#
#    9 LYS+ HN      72 PHE  QB       5.500   (#SUP   2.25 )
 &rst
  ixpk= 2, nxpk= 0, iat= 122,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1152,1153,
 &end
#
#    9 LYS+ HN      72 PHE  QD       5.390   (#SUP   5.30 )
 &rst
  ixpk= 5, nxpk= 0, iat= 122,  -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
 igr2=1156,1164,
 &end
#
#    9 LYS+ HN      73 VAL  HN       4.655   (#SUP   5.19 )
 &rst
  ixpk= 5, nxpk= 0, iat= 122,1168, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,  &end
#
#    9 LYS+ HN      74 VAL  HA       3.890   (#SUP   3.71 )
 &rst
  ixpk= 3, nxpk= 0, iat= 122,1186, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39,  &end
#
#    9 LYS+ QB      75 VAL  HN       5.410   (#SUP   1.95 )
 &rst
  ixpk= 1, nxpk= 0, iat=  -1,1200, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 126, 127,
 &end
#
#   10 THR  HA      11 LEU  HN       3.550   (#SUP   4.89 )
 &rst
  ixpk= 4, nxpk= 0, iat= 146, 158, r1= 1.30, r2= 1.80, r3= 3.55, r4= 4.05,  &end
#
#   10 THR  HA      75 VAL  HN       4.130   (#SUP   3.65 )
 &rst
  ixpk= 3, nxpk= 0, iat= 146,1200, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63,  &end
#
#   10 THR  HB      11 LEU  HN       3.420   (#SUP   5.55 )
 &rst
  ixpk= 5, nxpk= 0, iat= 148, 158, r1= 1.30, r2= 1.80, r3= 3.42, r4= 3.92,  &end
#
#   10 THR  HB      12 GLN  HN       4.040   (#SUP   3.92 )
 &rst
  ixpk= 3, nxpk= 0, iat= 148, 177, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,  &end
#
#   10 THR  HB      13 GLN  HN       5.500   (#SUP   4.42 )
 &rst
  ixpk= 4, nxpk= 0, iat= 148, 194, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   10 THR  HN      10 THR  HA       4.020   (#SUP   4.13 )
 &rst
  ixpk= 4, nxpk= 0, iat= 144, 146, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52,  &end
#
#   10 THR  HN      10 THR  HB       4.800   (#SUP   3.90 )
 &rst
  ixpk= 3, nxpk= 0, iat= 144, 148, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,  &end
#
#   10 THR  HN      10 THR  MG2      3.440   (#SUP   4.60 )
 &rst
  ixpk= 4, nxpk= 0, iat= 144,  -1, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63,
 igr2= 150, 151, 152,
 &end
#
#   10 THR  HN      11 LEU  HN       5.010   (#SUP   4.51 )
 &rst
  ixpk= 4, nxpk= 0, iat= 144, 158, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51,  &end
#
#   10 THR  HN      13 GLN  HA       5.210   (#SUP   2.40 )
 &rst
  ixpk= 2, nxpk= 0, iat= 144, 196, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71,  &end
#
#   10 THR  HN      13 GLN  HN       5.220   (#SUP   6.80 )
 &rst
  ixpk= 6, nxpk= 0, iat= 144, 194, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,  &end
#
#   10 THR  HN      14 GLN  HA       5.500   (#SUP   3.98 )
 &rst
  ixpk= 3, nxpk= 0, iat= 144, 213, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   10 THR  HN      14 GLN  QB       5.260   (#SUP   3.90 )
 &rst
  ixpk= 3, nxpk= 0, iat= 144,  -1, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,
 igr2= 215, 216,
 &end
#
#   10 THR  HN      14 GLN  HN       3.970   (#SUP   9.01 )
 &rst
  ixpk= 9, nxpk= 0, iat= 144, 211, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47,  &end
#
#   10 THR  HN      14 GLN  QG       5.500   (#SUP   3.98 )
 &rst
  ixpk= 3, nxpk= 0, iat= 144,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 218, 219,
 &end
#
#   10 THR  HN      15 THR  HA       4.400   (#SUP   5.16 )
 &rst
  ixpk= 5, nxpk= 0, iat= 144, 230, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,  &end
#
#   10 THR  MG2     11 LEU  HN       4.350   (#SUP   5.55 )
 &rst
  ixpk= 5, nxpk= 0, iat=  -1, 158, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
 igr1= 150, 151, 152,
 &end
#
#   10 THR  MG2     12 GLN  HN       4.860   (#SUP   3.92 )
 &rst
  ixpk= 3, nxpk= 0, iat=  -1, 177, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
 igr1= 150, 151, 152,
 &end
#
#   10 THR  MG2     13 GLN  HN       5.500   (#SUP   5.56 )
 &rst
  ixpk= 5, nxpk= 0, iat=  -1, 194, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 150, 151, 152,
 &end
#
#   10 THR  MG2     14 GLN  HN       4.400   (#SUP   3.30 )
 &rst
  ixpk= 3, nxpk= 0, iat=  -1, 211, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
 igr1= 150, 151, 152,
 &end
#
#   10 THR  MG2     16 PHE  HN       5.140   (#SUP   4.26 )
 &rst
  ixpk= 4, nxpk= 0, iat=  -1, 242, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 150, 151, 152,
 &end
#
#   10 THR  MG2     75 VAL  HN       4.790   (#SUP   0.99 )
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1200, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25,
 igr1= 150, 151, 152,
 &end
#
#   11 LEU  HA      12 GLN  HN       4.860   (#SUP   7.06 )
 &rst
  ixpk= 7, nxpk= 0, iat= 160, 177, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,  &end
#
#   11 LEU  HA      13 GLN  HN       4.660   (#SUP   4.26 )
 &rst
  ixpk= 4, nxpk= 0, iat= 160, 194, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,  &end
#
#   11 LEU  HG      12 GLN  QE2      5.500   (#SUP   3.60 )
 &rst
  ixpk= 3, nxpk= 0, iat= 165,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 189, 190,
 &end
#
#   11 LEU  HG      12 GLN  HN       5.300   (#SUP   5.92 )
 &rst
  ixpk= 5, nxpk= 0, iat= 165, 177, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,  &end
#
#   11 LEU  HN      11 LEU  HA       4.010   (#SUP   6.44 )
 &rst
  ixpk= 6, nxpk= 0, iat= 158, 160, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51,  &end
#
#   11 LEU  HN      11 LEU  HG       4.080   (#SUP   6.70 )
 &rst
  ixpk= 6, nxpk= 0, iat= 158, 165, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58,  &end
#
#   11 LEU  HN      11 LEU  QB       3.260   (#SUP   6.90 )
 &rst
  ixpk= 6, nxpk= 0, iat= 158,  -1, r1= 1.30, r2= 1.80, r3= 3.66, r4= 4.16,
 igr2= 162, 163,
 &end
#
#   11 LEU  HN      12 GLN  HN       4.350   (#SUP   8.82 )
 &rst
  ixpk= 8, nxpk= 0, iat= 158, 177, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85,  &end
#
#   11 LEU  HN      12 GLN  QG       5.480   (#SUP   3.60 )
 &rst
  ixpk= 3, nxpk= 0, iat= 158,  -1, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65,
 igr2= 184, 185,
 &end
#
#   11 LEU  HN      13 GLN  HN       5.500   (#SUP   6.29 )
 &rst
  ixpk= 6, nxpk= 0, iat= 158, 194, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   11 LEU  QB      12 GLN  QE2      5.500   (#SUP   3.93 )
 &rst
  ixpk= 3, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 162, 163,
 igr2= 189, 190,
 &end
#
#   11 LEU  QB      12 GLN  HN       4.610   (#SUP   6.07 )
 &rst
  ixpk= 6, nxpk= 0, iat=  -1, 177, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67,
 igr1= 162, 163,
 &end
#
#   12 GLN  HA      13 GLN  HN       4.100   (#SUP   6.69 )
 &rst
  ixpk= 6, nxpk= 0, iat= 179, 194, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,  &end
#
#   12 GLN  QB      12 GLN  QE2      5.500   (#SUP   2.03 )
 &rst
  ixpk= 2, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 181, 182,
 igr2= 189, 190,
 &end
#
#   12 GLN  QB      13 GLN  QE2      4.950   (#SUP   3.38 )
 &rst
  ixpk= 3, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.24, r4= 6.74,
 igr1= 181, 182,
 igr2= 206, 207,
 &end
#
#   12 GLN  QB      13 GLN  HN       4.490   (#SUP   6.44 )
 &rst
  ixpk= 6, nxpk= 0, iat=  -1, 194, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1= 181, 182,
 &end
#
#   12 GLN  QB      14 GLN  HN       4.820   (#SUP   2.75 )
 &rst
  ixpk= 2, nxpk= 0, iat=  -1, 211, r1= 1.30, r2= 1.80, r3= 5.41, r4= 5.91,
 igr1= 181, 182,
 &end
#
#   12 GLN  HN      12 GLN  HA       4.200   (#SUP   6.70 )
 &rst
  ixpk= 6, nxpk= 0, iat= 177, 179, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,  &end
#
#   12 GLN  HN      12 GLN  QB       5.050   (#SUP   4.88 )
 &rst
  ixpk= 4, nxpk= 0, iat= 177,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr2= 181, 182,
 &end
#
#   12 GLN  HN      12 GLN  QE2      5.500   (#SUP   5.81 )
 &rst
  ixpk= 5, nxpk= 0, iat= 177,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 189, 190,
 &end
#
#   12 GLN  HN      12 GLN  QG       3.910   (#SUP   6.43 )
 &rst
  ixpk= 6, nxpk= 0, iat= 177,  -1, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89,
 igr2= 184, 185,
 &end
#
#   12 GLN  HN      13 GLN  HA       5.200   (#SUP   4.39 )
 &rst
  ixpk= 4, nxpk= 0, iat= 177, 196, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,  &end
#
#   12 GLN  HN      13 GLN  HN       3.955   (#SUP   8.47 )
 &rst
  ixpk= 8, nxpk= 0, iat= 177, 194, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45,  &end
#
#   12 GLN  HN      14 GLN  HN       4.975   (#SUP   3.13 )
 &rst
  ixpk= 3, nxpk= 0, iat= 177, 211, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47,  &end
#
#   12 GLN  QG      12 GLN  QE2      5.350   (#SUP   3.33 )
 &rst
  ixpk= 3, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 184, 185,
 igr2= 189, 190,
 &end
#
#   13 GLN  HA      14 GLN  HN       3.750   (#SUP   4.67 )
 &rst
  ixpk= 4, nxpk= 0, iat= 196, 211, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25,  &end
#
#   13 GLN  QG      13 GLN  QE2      5.450   (#SUP   2.13 )
 &rst
  ixpk= 2, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.87, r4= 7.37,
 igr1= 201, 202,
 igr2= 206, 207,
 &end
#
#   13 GLN  HN      13 GLN  HA       3.010   (#SUP   5.86 )
 &rst
  ixpk= 5, nxpk= 0, iat= 194, 196, r1= 1.30, r2= 1.80, r3= 3.01, r4= 3.51,  &end
#
#   13 GLN  HN      13 GLN  QE2      5.500   (#SUP   5.76 )
 &rst
  ixpk= 5, nxpk= 0, iat= 194,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 206, 207,
 &end
#
#   13 GLN  HN      13 GLN  QG       4.180   (#SUP   6.20 )
 &rst
  ixpk= 6, nxpk= 0, iat= 194,  -1, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19,
 igr2= 201, 202,
 &end
#
#   13 GLN  HN      13 GLN  QB       3.970   (#SUP   4.91 )
 &rst
  ixpk= 4, nxpk= 0, iat= 194,  -1, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96,
 igr2= 198, 199,
 &end
#
#   13 GLN  HN      14 GLN  HN       3.645   (#SUP   5.61 )
 &rst
  ixpk= 5, nxpk= 0, iat= 194, 211, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14,  &end
#
#   14 GLN  HA      15 THR  HN       2.960   (#SUP   4.93 )
 &rst
  ixpk= 4, nxpk= 0, iat= 213, 228, r1= 1.30, r2= 1.80, r3= 2.96, r4= 3.46,  &end
#
#   14 GLN  QB      15 THR  HN       4.220   (#SUP   4.70 )
 &rst
  ixpk= 4, nxpk= 0, iat=  -1, 228, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,
 igr1= 215, 216,
 &end
#
#   14 GLN  HN      14 GLN  HA       3.840   (#SUP   5.51 )
 &rst
  ixpk= 5, nxpk= 0, iat= 211, 213, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34,  &end
#
#   14 GLN  HN      14 GLN  QB       3.710   (#SUP   5.06 )
 &rst
  ixpk= 5, nxpk= 0, iat= 211,  -1, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66,
 igr2= 215, 216,
 &end
#
#   14 GLN  HN      14 GLN  QG       3.590   (#SUP   5.48 )
 &rst
  ixpk= 5, nxpk= 0, iat= 211,  -1, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05,
 igr2= 218, 219,
 &end
#
#   14 GLN  HN      15 THR  HA       5.500   (#SUP   3.62 )
 &rst
  ixpk= 3, nxpk= 0, iat= 211, 230, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   14 GLN  HN      15 THR  HN       5.065   (#SUP   6.06 )
 &rst
  ixpk= 6, nxpk= 0, iat= 211, 228, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,  &end
#
#   14 GLN  HN      15 THR  MG2      5.420   (#SUP   3.48 )
 &rst
  ixpk= 3, nxpk= 0, iat= 211,  -1, r1= 1.30, r2= 1.80, r3= 6.85, r4= 7.35,
 igr2= 234, 235, 236,
 &end
#
#   14 GLN  QG      14 GLN  QE2      4.600   (#SUP   2.01 )
 &rst
  ixpk= 2, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
 igr1= 218, 219,
 igr2= 223, 224,
 &end
#
#   14 GLN  QG      15 THR  HN       4.170   (#SUP   6.21 )
 &rst
  ixpk= 6, nxpk= 0, iat=  -1, 228, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,
 igr1= 218, 219,
 &end
#
#   15 THR  HA      16 PHE  HN       3.090   (#SUP   5.23 )
 &rst
  ixpk= 5, nxpk= 0, iat= 230, 242, r1= 1.30, r2= 1.80, r3= 3.09, r4= 3.59,  &end
#
#   15 THR  HB      16 PHE  HN       3.760   (#SUP   4.51 )
 &rst
  ixpk= 4, nxpk= 0, iat= 232, 242, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26,  &end
#
#   15 THR  HN      15 THR  HA       4.070   (#SUP   6.23 )
 &rst
  ixpk= 6, nxpk= 0, iat= 228, 230, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57,  &end
#
#   15 THR  HN      15 THR  HB       3.950   (#SUP   4.92 )
 &rst
  ixpk= 4, nxpk= 0, iat= 228, 232, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45,  &end
#
#   15 THR  HN      15 THR  MG2      3.870   (#SUP   6.00 )
 &rst
  ixpk= 6, nxpk= 0, iat= 228,  -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr2= 234, 235, 236,
 &end
#
#   15 THR  HN      16 PHE  HN       5.500   (#SUP   5.22 )
 &rst
  ixpk= 5, nxpk= 0, iat= 228, 242, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   15 THR  HN      16 PHE  QD       5.500   (#SUP   6.60 )
 &rst
  ixpk= 6, nxpk= 0, iat= 228,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 250, 258,
 &end
#
#   15 THR  MG2     16 PHE  HN       3.510   (#SUP   5.56 )
 &rst
  ixpk= 5, nxpk= 0, iat=  -1, 242, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72,
 igr1= 234, 235, 236,
 &end
#
#   15 THR  MG2     17 LYS+ HN       5.340   (#SUP   2.24 )
 &rst
  ixpk= 2, nxpk= 0, iat=  -1, 262, r1= 1.30, r2= 1.80, r3= 6.41, r4= 6.91,
 igr1= 234, 235, 236,
 &end
#
#   16 PHE  HA      17 LYS+ HN       3.220   (#SUP   5.77 )
 &rst
  ixpk= 5, nxpk= 0, iat= 244, 262, r1= 1.30, r2= 1.80, r3= 3.22, r4= 3.72,  &end
#
#   16 PHE  QB      17 LYS+ HN       3.700   (#SUP   5.14 )
 &rst
  ixpk= 5, nxpk= 0, iat=  -1, 262, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65,
 igr1= 246, 247,
 &end
#
#   16 PHE  HN      16 PHE  HA       3.930   (#SUP   5.95 )
 &rst
  ixpk= 5, nxpk= 0, iat= 242, 244, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,  &end
#
#   16 PHE  HN      16 PHE  QB       4.800   (#SUP   5.24 )
 &rst
  ixpk= 5, nxpk= 0, iat= 242,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr2= 246, 247,
 &end
#
#   16 PHE  HN      16 PHE  QD       4.070   (#SUP   8.12 )
 &rst
  ixpk= 8, nxpk= 0, iat= 242,  -1, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07,
 igr2= 250, 258,
 &end
#
#   16 PHE  HN      16 PHE  QE       5.120   (#SUP   3.91 )
 &rst
  ixpk= 3, nxpk= 0, iat= 242,  -1, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25,
 igr2= 252, 256,
 &end
#
#   16 PHE  HN      17 LYS+ QG       4.900   (#SUP   2.25 )
 &rst
  ixpk= 2, nxpk= 0, iat= 242,  -1, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25,
 igr2= 269, 270,
 &end
#
#   16 PHE  QD      17 LYS+ HN       4.130   (#SUP   8.20 )
 &rst
  ixpk= 8, nxpk= 0, iat=  -1, 262, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,
 igr1= 250, 258,
 &end
#
#   16 PHE  QE      33 ILE  HN       5.500   (#SUP   4.50 )
 &rst
  ixpk= 4, nxpk= 0, iat=  -1, 530, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 252, 256,
 &end
#
#   17 LYS+ HA      18 ILE  HN       3.090   (#SUP   3.66 )
 &rst
  ixpk= 3, nxpk= 0, iat= 264, 284, r1= 1.30, r2= 1.80, r3= 3.09, r4= 3.59,  &end
#
#   17 LYS+ HN      17 LYS+ HA       3.950   (#SUP   5.39 )
 &rst
  ixpk= 5, nxpk= 0, iat= 262, 264, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45,  &end
#
#   17 LYS+ HN      17 LYS+ QB       3.550   (#SUP   4.82 )
 &rst
  ixpk= 4, nxpk= 0, iat= 262,  -1, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48,
 igr2= 266, 267,
 &end
#
#   17 LYS+ HN      17 LYS+ QD       3.720   (#SUP   3.64 )
 &rst
  ixpk= 3, nxpk= 0, iat= 262,  -1, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,
 igr2= 272, 273,
 &end
#
#   17 LYS+ HN      17 LYS+ QE       5.500   (#SUP   3.13 )
 &rst
  ixpk= 3, nxpk= 0, iat= 262,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 275, 276,
 &end
#
#   17 LYS+ HN      17 LYS+ QG       3.700   (#SUP   5.38 )
 &rst
  ixpk= 5, nxpk= 0, iat= 262,  -1, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65,
 igr2= 269, 270,
 &end
#
#   17 LYS+ HN      18 ILE  QD1      5.280   (#SUP   2.88 )
 &rst
  ixpk= 2, nxpk= 0, iat= 262,  -1, r1= 1.30, r2= 1.80, r3= 6.34, r4= 6.84,
 igr2= 297, 298, 299,
 &end
#
#   17 LYS+ QB      18 ILE  HN       4.570   (#SUP   2.82 )
 &rst
  ixpk= 2, nxpk= 0, iat=  -1, 284, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63,
 igr1= 266, 267,
 &end
#
#   18 ILE  HA      19 ASP- HN       2.970   (#SUP   4.33 )
 &rst
  ixpk= 4, nxpk= 0, iat= 286, 303, r1= 1.30, r2= 1.80, r3= 2.97, r4= 3.47,  &end
#
#   18 ILE  HB      19 ASP- HN       4.270   (#SUP   5.52 )
 &rst
  ixpk= 5, nxpk= 0, iat= 288, 303, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,  &end
#
#   18 ILE  HN      18 ILE  HA       3.740   (#SUP   4.95 )
 &rst
  ixpk= 4, nxpk= 0, iat= 284, 286, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24,  &end
#
#   18 ILE  HN      18 ILE  HB       3.240   (#SUP   5.51 )
 &rst
  ixpk= 5, nxpk= 0, iat= 284, 288, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   18 ILE  HN      18 ILE  QD1      3.680   (#SUP   4.11 )
 &rst
  ixpk= 4, nxpk= 0, iat= 284,  -1, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92,
 igr2= 297, 298, 299,
 &end
#
#   18 ILE  HN      18 ILE  QG1      4.010   (#SUP   5.03 )
 &rst
  ixpk= 5, nxpk= 0, iat= 284,  -1, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,
 igr2= 294, 295,
 &end
#
#   18 ILE  HN      18 ILE  MG2      4.090   (#SUP   4.45 )
 &rst
  ixpk= 4, nxpk= 0, iat= 284,  -1, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,
 igr2= 290, 291, 292,
 &end
#
#   18 ILE  HN      19 ASP- HN       5.055   (#SUP   5.18 )
 &rst
  ixpk= 5, nxpk= 0, iat= 284, 303, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,  &end
#
#   18 ILE  QG1     19 ASP- HN       5.170   (#SUP   4.67 )
 &rst
  ixpk= 4, nxpk= 0, iat=  -1, 303, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
 igr1= 294, 295,
 &end
#
#   18 ILE  QG1     33 ILE  HN       5.380   (#SUP   0.73 )
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 530, r1= 1.30, r2= 1.80, r3= 6.04, r4= 6.54,
 igr1= 294, 295,
 &end
#
#   18 ILE  MG2     19 ASP- HN       5.480   (#SUP   4.33 )
 &rst
  ixpk= 4, nxpk= 0, iat=  -1, 303, r1= 1.30, r2= 1.80, r3= 6.58, r4= 7.08,
 igr1= 290, 291, 292,
 &end
#
#   18 ILE  MG2     33 ILE  HN       5.270   (#SUP   1.90 )
 &rst
  ixpk= 1, nxpk= 0, iat=  -1, 530, r1= 1.30, r2= 1.80, r3= 6.33, r4= 6.83,
 igr1= 290, 291, 292,
 &end
#
#   19 ASP- HA      20 ILE  HN       3.010   (#SUP   5.90 )
 &rst
  ixpk= 5, nxpk= 0, iat= 305, 315, r1= 1.30, r2= 1.80, r3= 3.01, r4= 3.51,  &end
#
#   19 ASP- HN      19 ASP- HA       3.900   (#SUP   6.95 )
 &rst
  ixpk= 6, nxpk= 0, iat= 303, 305, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40,  &end
#
#   19 ASP- HN      19 ASP- QB       3.170   (#SUP   4.74 )
 &rst
  ixpk= 4, nxpk= 0, iat= 303,  -1, r1= 1.30, r2= 1.80, r3= 3.56, r4= 4.06,
 igr2= 307, 308,
 &end
#
#   19 ASP- HN      20 ILE  HN       5.160   (#SUP   4.73 )
 &rst
  ixpk= 4, nxpk= 0, iat= 303, 315, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,  &end
#
#   19 ASP- HN      20 ILE  QD1      5.500   (#SUP   3.02 )
 &rst
  ixpk= 3, nxpk= 0, iat= 303,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 328, 329, 330,
 &end
#
#   19 ASP- HN      20 ILE  MG2      3.360   (#SUP   2.93 )
 &rst
  ixpk= 2, nxpk= 0, iat= 303,  -1, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,
 igr2= 321, 322, 323,
 &end
#
#   19 ASP- HN      32 LYS+ QE       5.330   (#SUP   1.53 )
 &rst
  ixpk= 1, nxpk= 0, iat= 303,  -1, r1= 1.30, r2= 1.80, r3= 5.98, r4= 6.48,
 igr2= 521, 522,
 &end
#
#   19 ASP- QB      20 ILE  HN       4.020   (#SUP   4.22 )
 &rst
  ixpk= 4, nxpk= 0, iat=  -1, 315, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01,
 igr1= 307, 308,
 &end
#
#   20 ILE  HA      21 ASP- HN       3.180   (#SUP   5.87 )
 &rst
  ixpk= 5, nxpk= 0, iat= 317, 334, r1= 1.30, r2= 1.80, r3= 3.18, r4= 3.68,  &end
#
#   20 ILE  HB      21 ASP- HN       3.310   (#SUP   5.57 )
 &rst
  ixpk= 5, nxpk= 0, iat= 319, 334, r1= 1.30, r2= 1.80, r3= 3.31, r4= 3.81,  &end
#
#   20 ILE  HN      20 ILE  HA       3.810   (#SUP   7.38 )
 &rst
  ixpk= 7, nxpk= 0, iat= 315, 317, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31,  &end
#
#   20 ILE  HN      20 ILE  HB       3.830   (#SUP   6.02 )
 &rst
  ixpk= 6, nxpk= 0, iat= 315, 319, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   20 ILE  HN      20 ILE  QD1      3.420   (#SUP   6.50 )
 &rst
  ixpk= 6, nxpk= 0, iat= 315,  -1, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,
 igr2= 328, 329, 330,
 &end
#
#   20 ILE  HN      20 ILE  QG1      5.040   (#SUP   5.36 )
 &rst
  ixpk= 5, nxpk= 0, iat= 315,  -1, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
 igr2= 325, 326,
 &end
#
#   20 ILE  HN      20 ILE  MG2      4.160   (#SUP   6.49 )
 &rst
  ixpk= 6, nxpk= 0, iat= 315,  -1, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
 igr2= 321, 322, 323,
 &end
#
#   20 ILE  HN      21 ASP- HN       5.215   (#SUP   5.93 )
 &rst
  ixpk= 5, nxpk= 0, iat= 315, 334, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,  &end
#
#   20 ILE  QD1     21 ASP- HN       4.520   (#SUP   5.53 )
 &rst
  ixpk= 5, nxpk= 0, iat=  -1, 334, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,
 igr1= 328, 329, 330,
 &end
#
#   20 ILE  QD1     24 GLU- HN       5.500   (#SUP   1.69 )
 &rst
  ixpk= 1, nxpk= 0, iat=  -1, 375, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 328, 329, 330,
 &end
#
#   20 ILE  QD1     29 LEU  HN       5.500   (#SUP   2.00 )
 &rst
  ixpk= 2, nxpk= 0, iat=  -1, 452, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 328, 329, 330,
 &end
#
#   20 ILE  QG1     21 ASP- HN       3.680   (#SUP   5.29 )
 &rst
  ixpk= 5, nxpk= 0, iat=  -1, 334, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63,
 igr1= 325, 326,
 &end
#
#   20 ILE  QG1     24 GLU- HN       4.510   (#SUP   3.19 )
 &rst
  ixpk= 3, nxpk= 0, iat=  -1, 375, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,
 igr1= 325, 326,
 &end
#
#   20 ILE  QG1     29 LEU  HN       5.500   (#SUP   0.75 )
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 452, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 325, 326,
 &end
#
#   20 ILE  MG2     21 ASP- HN       4.010   (#SUP   5.76 )
 &rst
  ixpk= 5, nxpk= 0, iat=  -1, 334, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32,
 igr1= 321, 322, 323,
 &end
#
#   20 ILE  MG2     32 LYS+ HN       4.160   (#SUP   0.75 )
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 508, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,
 igr1= 321, 322, 323,
 &end
#
#   21 ASP- HA      23 GLU- HN       4.800   (#SUP   5.62 )
 &rst
  ixpk= 5, nxpk= 0, iat= 336, 360, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,  &end
#
#   21 ASP- HA      24 GLU- HN       5.500   (#SUP   3.71 )
 &rst
  ixpk= 3, nxpk= 0, iat= 336, 375, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   21 ASP- QB      23 GLU- HN       4.710   (#SUP   3.76 )
 &rst
  ixpk= 3, nxpk= 0, iat=  -1, 360, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79,
 igr1= 338, 339,
 &end
#
#   21 ASP- QB      24 GLU- HN       4.460   (#SUP   3.09 )
 &rst
  ixpk= 3, nxpk= 0, iat=  -1, 375, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51,
 igr1= 338, 339,
 &end
#
#   21 ASP- HN      21 ASP- HA       3.860   (#SUP   5.94 )
 &rst
  ixpk= 5, nxpk= 0, iat= 334, 336, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36,  &end
#
#   21 ASP- HN      21 ASP- QB       3.440   (#SUP   4.21 )
 &rst
  ixpk= 4, nxpk= 0, iat= 334,  -1, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36,
 igr2= 338, 339,
 &end
#
#   21 ASP- HN      22 PRO  QD       5.200   (#SUP   2.61 )
 &rst
  ixpk= 2, nxpk= 0, iat= 334,  -1, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
 igr2= 347, 348,
 &end
#
#   21 ASP- HN      24 GLU- QB       4.320   (#SUP   0.02 )
 &rst
  ixpk= 0, nxpk= 0, iat= 334,  -1, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
 igr2= 379, 380,
 &end
#
#   22 PRO  HA      23 GLU- HN       4.350   (#SUP   7.66 )
 &rst
  ixpk= 7, nxpk= 0, iat= 356, 360, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85,  &end
#
#   22 PRO  HA      24 GLU- HN       4.520   (#SUP   3.04 )
 &rst
  ixpk= 3, nxpk= 0, iat= 356, 375, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02,  &end
#
#   22 PRO  HA      63 LYS+ HN       4.290   (#SUP   0.75 )
 &rst
  ixpk= 0, nxpk= 0, iat= 356, 986, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79,  &end
#
#   22 PRO  QB      23 GLU- HN       4.480   (#SUP   5.07 )
 &rst
  ixpk= 5, nxpk= 0, iat=  -1, 360, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,
 igr1= 353, 354,
 &end
#
#   22 PRO  QB      63 LYS+ HN       4.460   (#SUP   0.75 )
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 986, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51,
 igr1= 353, 354,
 &end
#
#   22 PRO  QD      23 GLU- HN       4.810   (#SUP   5.42 )
 &rst
  ixpk= 5, nxpk= 0, iat=  -1, 360, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 347, 348,
 &end
#
#   22 PRO  QG      23 GLU- HN       4.370   (#SUP   5.14 )
 &rst
  ixpk= 5, nxpk= 0, iat=  -1, 360, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,
 igr1= 350, 351,
 &end
#
#   23 GLU- HA      24 GLU- HN       4.250   (#SUP   5.02 )
 &rst
  ixpk= 5, nxpk= 0, iat= 362, 375, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75,  &end
#
#   23 GLU- QB      24 GLU- HN       4.250   (#SUP   4.10 )
 &rst
  ixpk= 4, nxpk= 0, iat=  -1, 375, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,
 igr1= 364, 365,
 &end
#
#   23 GLU- HN      23 GLU- HA       3.510   (#SUP   5.79 )
 &rst
  ixpk= 5, nxpk= 0, iat= 360, 362, r1= 1.30, r2= 1.80, r3= 3.51, r4= 4.01,  &end
#
#   23 GLU- HN      23 GLU- QB       3.950   (#SUP   5.07 )
 &rst
  ixpk= 5, nxpk= 0, iat= 360,  -1, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93,
 igr2= 364, 365,
 &end
#
#   23 GLU- HN      23 GLU- QG       3.760   (#SUP   4.52 )
 &rst
  ixpk= 4, nxpk= 0, iat= 360,  -1, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72,
 igr2= 367, 368,
 &end
#
#   23 GLU- HN      24 GLU- HA       5.500   (#SUP   2.98 )
 &rst
  ixpk= 2, nxpk= 0, iat= 360, 377, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   23 GLU- HN      24 GLU- HN       3.345   (#SUP   5.84 )
 &rst
  ixpk= 5, nxpk= 0, iat= 360, 375, r1= 1.30, r2= 1.80, r3= 3.35, r4= 3.85,  &end
#
#   23 GLU- HN      61 ALA  MB       5.500   (#SUP   1.27 )
 &rst
  ixpk= 1, nxpk= 0, iat= 360,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 961, 962, 963,
 &end
#
#   23 GLU- HN      63 LYS+ QG       5.500   (#SUP   0.89 )
 &rst
  ixpk= 0, nxpk= 0, iat= 360,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 993, 994,
 &end
#
#   23 GLU- HN      63 LYS+ QD       5.040   (#SUP   3.28 )
 &rst
  ixpk= 3, nxpk= 0, iat= 360,  -1, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
 igr2= 996, 997,
 &end
#
#   24 GLU- HA      25 THR  HN       3.110   (#SUP   2.60 )
 &rst
  ixpk= 2, nxpk= 0, iat= 377, 390, r1= 1.30, r2= 1.80, r3= 3.11, r4= 3.61,  &end
#
#   24 GLU- HN      24 GLU- HA       3.720   (#SUP   4.25 )
 &rst
  ixpk= 4, nxpk= 0, iat= 375, 377, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22,  &end
#
#   24 GLU- HN      24 GLU- QB       2.920   (#SUP   3.15 )
 &rst
  ixpk= 3, nxpk= 0, iat= 375,  -1, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78,
 igr2= 379, 380,
 &end
#
#   24 GLU- HN      24 GLU- QG       3.640   (#SUP   3.55 )
 &rst
  ixpk= 3, nxpk= 0, iat= 375,  -1, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,
 igr2= 382, 383,
 &end
#
#   24 GLU- HN      61 ALA  MB       5.500   (#SUP   3.60 )
 &rst
  ixpk= 3, nxpk= 0, iat= 375,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 961, 962, 963,
 &end
#
#   24 GLU- HN      62 LEU  HG       4.890   (#SUP   2.57 )
 &rst
  ixpk= 2, nxpk= 0, iat= 375, 974, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39,  &end
#
#   24 GLU- HN      62 LEU  HN       5.500   (#SUP   5.26 )
 &rst
  ixpk= 5, nxpk= 0, iat= 375, 967, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   24 GLU- HN      62 LEU  QB       4.140   (#SUP   2.54 )
 &rst
  ixpk= 2, nxpk= 0, iat= 375,  -1, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,
 igr2= 971, 972,
 &end
#
#   24 GLU- HN      63 LYS+ QD       5.130   (#SUP   3.28 )
 &rst
  ixpk= 3, nxpk= 0, iat= 375,  -1, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26,
 igr2= 996, 997,
 &end
#
#   24 GLU- QB      62 LEU  HN       5.500   (#SUP   1.21 )
 &rst
  ixpk= 1, nxpk= 0, iat=  -1, 967, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 379, 380,
 &end
#
#   24 GLU- QG      25 THR  HN       4.990   (#SUP   2.24 )
 &rst
  ixpk= 2, nxpk= 0, iat=  -1, 390, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,
 igr1= 382, 383,
 &end
#
#   25 THR  HA      26 VAL  HN       3.390   (#SUP   4.55 )
 &rst
  ixpk= 4, nxpk= 0, iat= 392, 404, r1= 1.30, r2= 1.80, r3= 3.39, r4= 3.89,  &end
#
#   25 THR  HA      27 LYS+ HN       4.390   (#SUP   3.59 )
 &rst
  ixpk= 3, nxpk= 0, iat= 392, 420, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89,  &end
#
#   25 THR  HA      60 THR  HN       4.610   (#SUP   4.35 )
 &rst
  ixpk= 4, nxpk= 0, iat= 392, 943, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,  &end
#
#   25 THR  HA      61 ALA  HN       4.640   (#SUP   4.75 )
 &rst
  ixpk= 4, nxpk= 0, iat= 392, 957, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,  &end
#
#   25 THR  HA      62 LEU  HN       3.760   (#SUP   5.99 )
 &rst
  ixpk= 5, nxpk= 0, iat= 392, 967, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26,  &end
#
#   25 THR  HB      26 VAL  HN       3.470   (#SUP   4.55 )
 &rst
  ixpk= 4, nxpk= 0, iat= 394, 404, r1= 1.30, r2= 1.80, r3= 3.47, r4= 3.97,  &end
#
#   25 THR  HB      27 LYS+ HN       3.700   (#SUP   4.82 )
 &rst
  ixpk= 4, nxpk= 0, iat= 394, 420, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,  &end
#
#   25 THR  HB      28 ALA  HN       4.810   (#SUP   3.54 )
 &rst
  ixpk= 3, nxpk= 0, iat= 394, 442, r1= 1.30, r2= 1.80, r3= 4.81, r4= 5.31,  &end
#
#   25 THR  HB      60 THR  HN       5.450   (#SUP   2.67 )
 &rst
  ixpk= 2, nxpk= 0, iat= 394, 943, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95,  &end
#
#   25 THR  HN      25 THR  HA       3.940   (#SUP   2.87 )
 &rst
  ixpk= 2, nxpk= 0, iat= 390, 392, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44,  &end
#
#   25 THR  HN      25 THR  HB       4.690   (#SUP   2.87 )
 &rst
  ixpk= 2, nxpk= 0, iat= 390, 394, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19,  &end
#
#   25 THR  HN      25 THR  MG2      3.380   (#SUP   2.92 )
 &rst
  ixpk= 2, nxpk= 0, iat= 390,  -1, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56,
 igr2= 396, 397, 398,
 &end
#
#   25 THR  HN      28 ALA  HN       5.050   (#SUP   3.86 )
 &rst
  ixpk= 3, nxpk= 0, iat= 390, 442, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,  &end
#
#   25 THR  HN      28 ALA  MB       3.540   (#SUP   1.40 )
 &rst
  ixpk= 1, nxpk= 0, iat= 390,  -1, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75,
 igr2= 446, 447, 448,
 &end
#
#   25 THR  HN      61 ALA  MB       5.500   (#SUP   2.88 )
 &rst
  ixpk= 2, nxpk= 0, iat= 390,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 961, 962, 963,
 &end
#
#   25 THR  HN      62 LEU  HN       5.500   (#SUP   4.45 )
 &rst
  ixpk= 4, nxpk= 0, iat= 390, 967, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   25 THR  MG2     26 VAL  HN       4.320   (#SUP   3.54 )
 &rst
  ixpk= 3, nxpk= 0, iat=  -1, 404, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,
 igr1= 396, 397, 398,
 &end
#
#   25 THR  MG2     59 ASP- HN       5.330   (#SUP   1.56 )
 &rst
  ixpk= 1, nxpk= 0, iat=  -1, 931, r1= 1.30, r2= 1.80, r3= 6.40, r4= 6.90,
 igr1= 396, 397, 398,
 &end
#
#   26 VAL  HA      27 LYS+ HN       4.870   (#SUP   7.32 )
 &rst
  ixpk= 7, nxpk= 0, iat= 406, 420, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37,  &end
#
#   26 VAL  HA      28 ALA  HN       5.340   (#SUP   6.70 )
 &rst
  ixpk= 6, nxpk= 0, iat= 406, 442, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,  &end
#
#   26 VAL  HA      29 LEU  HN       4.160   (#SUP   5.89 )
 &rst
  ixpk= 5, nxpk= 0, iat= 406, 452, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66,  &end
#
#   26 VAL  HA      30 LYS+ HN       4.990   (#SUP   3.66 )
 &rst
  ixpk= 3, nxpk= 0, iat= 406, 471, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49,  &end
#
#   26 VAL  HA      62 LEU  HN       5.500   (#SUP   2.60 )
 &rst
  ixpk= 2, nxpk= 0, iat= 406, 967, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   26 VAL  HB      27 LYS+ HN       3.700   (#SUP   5.71 )
 &rst
  ixpk= 5, nxpk= 0, iat= 408, 420, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,  &end
#
#   26 VAL  HB      57 ASN  HN       5.500   (#SUP   1.40 )
 &rst
  ixpk= 1, nxpk= 0, iat= 408, 905, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   26 VAL  HB      60 THR  HN       4.670   (#SUP   2.48 )
 &rst
  ixpk= 2, nxpk= 0, iat= 408, 943, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,  &end
#
#   26 VAL  HN      26 VAL  HA       4.010   (#SUP   4.82 )
 &rst
  ixpk= 4, nxpk= 0, iat= 404, 406, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51,  &end
#
#   26 VAL  HN      26 VAL  HB       3.410   (#SUP   4.68 )
 &rst
  ixpk= 4, nxpk= 0, iat= 404, 408, r1= 1.30, r2= 1.80, r3= 3.41, r4= 3.91,  &end
#
#   26 VAL  HN      27 LYS+ HN       3.935   (#SUP   8.37 )
 &rst
  ixpk= 8, nxpk= 0, iat= 404, 420, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,  &end
#
#   26 VAL  HN      28 ALA  HN       5.290   (#SUP   3.73 )
 &rst
  ixpk= 3, nxpk= 0, iat= 404, 442, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79,  &end
#
#   26 VAL  HN      58 ASP- HA       3.660   (#SUP   1.50 )
 &rst
  ixpk= 1, nxpk= 0, iat= 404, 921, r1= 1.30, r2= 1.80, r3= 3.66, r4= 4.16,  &end
#
#   26 VAL  HN      60 THR  HB       5.500   (#SUP   1.70 )
 &rst
  ixpk= 1, nxpk= 0, iat= 404, 947, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   26 VAL  HN      60 THR  HN       5.040   (#SUP   6.98 )
 &rst
  ixpk= 6, nxpk= 0, iat= 404, 943, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,  &end
#
#   26 VAL  HN      61 ALA  HN       5.500   (#SUP   4.96 )
 &rst
  ixpk= 4, nxpk= 0, iat= 404, 957, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   26 VAL  HN      61 ALA  MB       5.170   (#SUP   4.17 )
 &rst
  ixpk= 4, nxpk= 0, iat= 404,  -1, r1= 1.30, r2= 1.80, r3= 6.40, r4= 6.90,
 igr2= 961, 962, 963,
 &end
#
#   26 VAL  HN      62 LEU  HA       5.500   (#SUP   2.59 )
 &rst
  ixpk= 2, nxpk= 0, iat= 404, 969, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   26 VAL  HN      62 LEU  HN       4.850   (#SUP   5.22 )
 &rst
  ixpk= 5, nxpk= 0, iat= 404, 967, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,  &end
#
#   26 VAL  HN      65 TYR  QE       5.480   (#SUP   0.75 )
 &rst
  ixpk= 0, nxpk= 0, iat= 404,  -1, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65,
 igr2=1033,1038,
 &end
#
#   27 LYS+ HA      28 ALA  HN       4.540   (#SUP   4.98 )
 &rst
  ixpk= 4, nxpk= 0, iat= 422, 442, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,  &end
#
#   27 LYS+ HA      29 LEU  HN       5.500   (#SUP   3.91 )
 &rst
  ixpk= 3, nxpk= 0, iat= 422, 452, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   27 LYS+ HA      30 LYS+ HN       4.250   (#SUP   3.49 )
 &rst
  ixpk= 3, nxpk= 0, iat= 422, 471, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75,  &end
#
#   27 LYS+ QG      28 ALA  HN       4.970   (#SUP   3.20 )
 &rst
  ixpk= 3, nxpk= 0, iat=  -1, 442, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08,
 igr1= 427, 428,
 &end
#
#   27 LYS+ HN      27 LYS+ HA       3.860   (#SUP   6.70 )
 &rst
  ixpk= 6, nxpk= 0, iat= 420, 422, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36,  &end
#
#   27 LYS+ HN      27 LYS+ QG       4.800   (#SUP   5.37 )
 &rst
  ixpk= 5, nxpk= 0, iat= 420,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr2= 427, 428,
 &end
#
#   27 LYS+ HN      27 LYS+ QB       3.060   (#SUP   3.87 )
 &rst
  ixpk= 3, nxpk= 0, iat= 420,  -1, r1= 1.30, r2= 1.80, r3= 3.43, r4= 3.93,
 igr2= 424, 425,
 &end
#
#   27 LYS+ HN      27 LYS+ QD       4.520   (#SUP   4.55 )
 &rst
  ixpk= 4, nxpk= 0, iat= 420,  -1, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,
 igr2= 430, 431,
 &end
#
#   27 LYS+ HN      28 ALA  HN       3.935   (#SUP   6.24 )
 &rst
  ixpk= 6, nxpk= 0, iat= 420, 442, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,  &end
#
#   27 LYS+ HN      29 LEU  HN       5.500   (#SUP   5.60 )
 &rst
  ixpk= 5, nxpk= 0, iat= 420, 452, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   27 LYS+ HN      30 LYS+ HN       5.020   (#SUP   5.25 )
 &rst
  ixpk= 5, nxpk= 0, iat= 420, 471, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52,  &end
#
#   27 LYS+ HN      30 LYS+ QB       5.500   (#SUP   1.46 )
 &rst
  ixpk= 1, nxpk= 0, iat= 420,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 475, 476,
 &end
#
#   27 LYS+ HN      58 ASP- HA       3.620   (#SUP   1.50 )
 &rst
  ixpk= 1, nxpk= 0, iat= 420, 921, r1= 1.30, r2= 1.80, r3= 3.62, r4= 4.12,  &end
#
#   28 ALA  HA      29 LEU  HN       4.630   (#SUP   5.06 )
 &rst
  ixpk= 5, nxpk= 0, iat= 444, 452, r1= 1.30, r2= 1.80, r3= 4.63, r4= 5.13,  &end
#
#   28 ALA  HA      30 LYS+ HN       5.500   (#SUP   4.92 )
 &rst
  ixpk= 4, nxpk= 0, iat= 444, 471, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   28 ALA  HA      31 GLU- HN       4.010   (#SUP   4.31 )
 &rst
  ixpk= 4, nxpk= 0, iat= 444, 493, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51,  &end
#
#   28 ALA  HN      28 ALA  HA       3.650   (#SUP   3.42 )
 &rst
  ixpk= 3, nxpk= 0, iat= 442, 444, r1= 1.30, r2= 1.80, r3= 3.65, r4= 4.15,  &end
#
#   28 ALA  HN      28 ALA  MB       3.020   (#SUP   4.12 )
 &rst
  ixpk= 4, nxpk= 0, iat= 442,  -1, r1= 1.30, r2= 1.80, r3= 3.63, r4= 4.13,
 igr2= 446, 447, 448,
 &end
#
#   28 ALA  HN      29 LEU  HA       5.500   (#SUP   5.57 )
 &rst
  ixpk= 5, nxpk= 0, iat= 442, 454, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   28 ALA  HN      29 LEU  QB       5.100   (#SUP   3.54 )
 &rst
  ixpk= 3, nxpk= 0, iat= 442,  -1, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,
 igr2= 456, 457,
 &end
#
#   28 ALA  HN      29 LEU  HN       3.730   (#SUP   7.84 )
 &rst
  ixpk= 7, nxpk= 0, iat= 442, 452, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23,  &end
#
#   28 ALA  HN      30 LYS+ HN       5.370   (#SUP   8.23 )
 &rst
  ixpk= 8, nxpk= 0, iat= 442, 471, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,  &end
#
#   28 ALA  HN      31 GLU- HN       5.500   (#SUP   4.97 )
 &rst
  ixpk= 4, nxpk= 0, iat= 442, 493, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   28 ALA  HN      31 GLU- QG       5.500   (#SUP   1.50 )
 &rst
  ixpk= 1, nxpk= 0, iat= 442,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 500, 501,
 &end
#
#   28 ALA  MB      29 LEU  HN       3.520   (#SUP   4.57 )
 &rst
  ixpk= 4, nxpk= 0, iat=  -1, 452, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73,
 igr1= 446, 447, 448,
 &end
#
#   29 LEU  HA      30 LYS+ HN       4.760   (#SUP   6.55 )
 &rst
  ixpk= 6, nxpk= 0, iat= 454, 471, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,  &end
#
#   29 LEU  HA      31 GLU- HN       5.500   (#SUP   5.11 )
 &rst
  ixpk= 5, nxpk= 0, iat= 454, 493, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   29 LEU  HA      32 LYS+ HN       4.070   (#SUP   4.75 )
 &rst
  ixpk= 4, nxpk= 0, iat= 454, 508, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57,  &end
#
#   29 LEU  HA      33 ILE  HN       5.030   (#SUP   2.65 )
 &rst
  ixpk= 2, nxpk= 0, iat= 454, 530, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,  &end
#
#   29 LEU  QB      30 LYS+ HN       3.860   (#SUP   4.60 )
 &rst
  ixpk= 4, nxpk= 0, iat=  -1, 471, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,
 igr1= 456, 457,
 &end
#
#   29 LEU  HN      29 LEU  HA       3.880   (#SUP   7.53 )
 &rst
  ixpk= 7, nxpk= 0, iat= 452, 454, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38,  &end
#
#   29 LEU  HN      29 LEU  QB       4.080   (#SUP   5.43 )
 &rst
  ixpk= 5, nxpk= 0, iat= 452,  -1, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
 igr2= 456, 457,
 &end
#
#   29 LEU  HN      29 LEU  HG       3.430   (#SUP   5.07 )
 &rst
  ixpk= 5, nxpk= 0, iat= 452, 459, r1= 1.30, r2= 1.80, r3= 3.15, r4= 4.65,  &end
#
#   29 LEU  HN      30 LYS+ HN       3.735   (#SUP   7.53 )
 &rst
  ixpk= 7, nxpk= 0, iat= 452, 471, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23,  &end
#
#   29 LEU  HN      30 LYS+ QB       4.500   (#SUP   3.22 )
 &rst
  ixpk= 3, nxpk= 0, iat= 452,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 475, 476,
 &end
#
#   29 LEU  HN      31 GLU- HN       5.375   (#SUP   4.71 )
 &rst
  ixpk= 4, nxpk= 0, iat= 452, 493, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88,  &end
#
#   29 LEU  HN      32 LYS+ QB       5.240   (#SUP   1.11 )
 &rst
  ixpk= 1, nxpk= 0, iat= 452,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2= 512, 513,
 &end
#
#   30 LYS+ HA      32 LYS+ HN       5.280   (#SUP   4.98 )
 &rst
  ixpk= 4, nxpk= 0, iat= 473, 508, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,  &end
#
#   30 LYS+ HA      33 ILE  HN       4.580   (#SUP   3.94 )
 &rst
  ixpk= 3, nxpk= 0, iat= 473, 530, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,  &end
#
#   30 LYS+ HA      34 GLU- HN       5.010   (#SUP   1.33 )
 &rst
  ixpk= 1, nxpk= 0, iat= 473, 549, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51,  &end
#
#   30 LYS+ HN      30 LYS+ HA       4.140   (#SUP   4.75 )
 &rst
  ixpk= 4, nxpk= 0, iat= 471, 473, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64,  &end
#
#   30 LYS+ HN      30 LYS+ QB       3.570   (#SUP   3.57 )
 &rst
  ixpk= 3, nxpk= 0, iat= 471,  -1, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51,
 igr2= 475, 476,
 &end
#
#   30 LYS+ HN      31 GLU- HN       4.030   (#SUP   4.90 )
 &rst
  ixpk= 4, nxpk= 0, iat= 471, 493, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53,  &end
#
#   30 LYS+ HN      31 GLU- QG       4.610   (#SUP   2.07 )
 &rst
  ixpk= 2, nxpk= 0, iat= 471,  -1, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67,
 igr2= 500, 501,
 &end
#
#   30 LYS+ QD      31 GLU- HN       3.710   (#SUP   3.51 )
 &rst
  ixpk= 3, nxpk= 0, iat=  -1, 493, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66,
 igr1= 481, 482,
 &end
#
#   31 GLU- HA      32 LYS+ HN       4.310   (#SUP   5.82 )
 &rst
  ixpk= 5, nxpk= 0, iat= 495, 508, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81,  &end
#
#   31 GLU- QB      32 LYS+ HN       3.550   (#SUP   3.67 )
 &rst
  ixpk= 3, nxpk= 0, iat=  -1, 508, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48,
 igr1= 497, 498,
 &end
#
#   31 GLU- HN      31 GLU- HA       3.720   (#SUP   3.44 )
 &rst
  ixpk= 3, nxpk= 0, iat= 493, 495, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22,  &end
#
#   31 GLU- HN      31 GLU- QG       3.470   (#SUP   3.31 )
 &rst
  ixpk= 3, nxpk= 0, iat= 493,  -1, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39,
 igr2= 500, 501,
 &end
#
#   31 GLU- HN      32 LYS+ HN       3.870   (#SUP   5.25 )
 &rst
  ixpk= 5, nxpk= 0, iat= 493, 508, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37,  &end
#
#   31 GLU- QG      32 LYS+ HN       4.710   (#SUP   4.66 )
 &rst
  ixpk= 4, nxpk= 0, iat=  -1, 508, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79,
 igr1= 500, 501,
 &end
#
#   32 LYS+ HA      33 ILE  HN       4.810   (#SUP   6.25 )
 &rst
  ixpk= 6, nxpk= 0, iat= 510, 530, r1= 1.30, r2= 1.80, r3= 4.81, r4= 5.31,  &end
#
#   32 LYS+ HA      34 GLU- HN       4.860   (#SUP   3.29 )
 &rst
  ixpk= 3, nxpk= 0, iat= 510, 549, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,  &end
#
#   32 LYS+ HN      32 LYS+ HA       3.570   (#SUP   4.67 )
 &rst
  ixpk= 4, nxpk= 0, iat= 508, 510, r1= 1.30, r2= 1.80, r3= 3.57, r4= 4.07,  &end
#
#   32 LYS+ HN      32 LYS+ QB       2.990   (#SUP   5.23 )
 &rst
  ixpk= 5, nxpk= 0, iat= 508,  -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr2= 512, 513,
 &end
#
#   32 LYS+ HN      32 LYS+ QD       4.060   (#SUP   5.24 )
 &rst
  ixpk= 5, nxpk= 0, iat= 508,  -1, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,
 igr2= 518, 519,
 &end
#
#   32 LYS+ HN      32 LYS+ QE       5.500   (#SUP   4.19 )
 &rst
  ixpk= 4, nxpk= 0, iat= 508,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 521, 522,
 &end
#
#   32 LYS+ HN      32 LYS+ QG       4.220   (#SUP   6.10 )
 &rst
  ixpk= 6, nxpk= 0, iat= 508,  -1, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,
 igr2= 515, 516,
 &end
#
#   32 LYS+ HN      33 ILE  HN       3.685   (#SUP   7.41 )
 &rst
  ixpk= 7, nxpk= 0, iat= 508, 530, r1= 1.30, r2= 1.80, r3= 3.68, r4= 4.18,  &end
#
#   32 LYS+ QB      33 ILE  HN       3.840   (#SUP   5.50 )
 &rst
  ixpk= 5, nxpk= 0, iat=  -1, 530, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81,
 igr1= 512, 513,
 &end
#
#   32 LYS+ QD      33 ILE  HN       4.640   (#SUP   6.25 )
 &rst
  ixpk= 6, nxpk= 0, iat=  -1, 530, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71,
 igr1= 518, 519,
 &end
#
#   32 LYS+ QD      34 GLU- HN       5.390   (#SUP   3.27 )
 &rst
  ixpk= 3, nxpk= 0, iat=  -1, 549, r1= 1.30, r2= 1.80, r3= 6.40, r4= 6.90,
 igr1= 518, 519,
 &end
#
#   32 LYS+ QG      33 ILE  HN       4.550   (#SUP   7.24 )
 &rst
  ixpk= 7, nxpk= 0, iat=  -1, 530, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61,
 igr1= 515, 516,
 &end
#
#   32 LYS+ QG      34 GLU- HN       5.210   (#SUP   4.21 )
 &rst
  ixpk= 4, nxpk= 0, iat=  -1, 549, r1= 1.30, r2= 1.80, r3= 5.85, r4= 6.35,
 igr1= 515, 516,
 &end
#
#   32 LYS+ QG      35 SER  HN       5.500   (#SUP   1.82 )
 &rst
  ixpk= 1, nxpk= 0, iat=  -1, 564, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 515, 516,
 &end
#
#   33 ILE  HA      34 GLU- HN       4.710   (#SUP   6.20 )
 &rst
  ixpk= 6, nxpk= 0, iat= 532, 549, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,  &end
#
#   33 ILE  HA      35 SER  HN       5.500   (#SUP   3.85 )
 &rst
  ixpk= 3, nxpk= 0, iat= 532, 564, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   33 ILE  HA      36 GLU- HN       4.500   (#SUP   2.63 )
 &rst
  ixpk= 2, nxpk= 0, iat= 532, 575, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   33 ILE  HA      37 LYS+ HN       5.030   (#SUP   2.31 )
 &rst
  ixpk= 2, nxpk= 0, iat= 532, 590, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,  &end
#
#   33 ILE  QG1     34 GLU- HN       4.700   (#SUP   5.18 )
 &rst
  ixpk= 5, nxpk= 0, iat=  -1, 549, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
 igr1= 540, 541,
 &end
#
#   33 ILE  HN      33 ILE  HA       4.010   (#SUP   7.45 )
 &rst
  ixpk= 7, nxpk= 0, iat= 530, 532, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51,  &end
#
#   33 ILE  HN      33 ILE  HB       3.400   (#SUP   6.25 )
 &rst
  ixpk= 6, nxpk= 0, iat= 530, 534, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,  &end
#
#   33 ILE  HN      33 ILE  QG1      3.680   (#SUP   7.65 )
 &rst
  ixpk= 7, nxpk= 0, iat= 530,  -1, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63,
 igr2= 540, 541,
 &end
#
#   33 ILE  HN      33 ILE  QD1      4.050   (#SUP   7.05 )
 &rst
  ixpk= 7, nxpk= 0, iat= 530,  -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
 igr2= 543, 544, 545,
 &end
#
#   33 ILE  HN      33 ILE  MG2      3.660   (#SUP   4.83 )
 &rst
  ixpk= 4, nxpk= 0, iat= 530,  -1, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,
 igr2= 536, 537, 538,
 &end
#
#   33 ILE  HN      34 GLU- HN       3.850   (#SUP   9.06 )
 &rst
  ixpk= 9, nxpk= 0, iat= 530, 549, r1= 1.30, r2= 1.80, r3= 3.85, r4= 4.35,  &end
#
#   33 ILE  HN      35 SER  HN       5.500   (#SUP   5.11 )
 &rst
  ixpk= 5, nxpk= 0, iat= 530, 564, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   33 ILE  HN      47 GLN  QE2      4.590   (#SUP   0.75 )
 &rst
  ixpk= 0, nxpk= 0, iat= 530,  -1, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,
 igr2= 742, 743,
 &end
#
#   33 ILE  QD1     34 GLU- HN       4.350   (#SUP   6.33 )
 &rst
  ixpk= 6, nxpk= 0, iat=  -1, 549, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
 igr1= 543, 544, 545,
 &end
#
#   33 ILE  QD1     35 SER  HN       5.500   (#SUP   4.64 )
 &rst
  ixpk= 4, nxpk= 0, iat=  -1, 564, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 543, 544, 545,
 &end
#
#   33 ILE  QD1     36 GLU- HN       5.500   (#SUP   5.17 )
 &rst
  ixpk= 5, nxpk= 0, iat=  -1, 575, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 543, 544, 545,
 &end
#
#   33 ILE  QD1     37 LYS+ HN       5.060   (#SUP   6.83 )
 &rst
  ixpk= 6, nxpk= 0, iat=  -1, 590, r1= 1.30, r2= 1.80, r3= 6.08, r4= 6.58,
 igr1= 543, 544, 545,
 &end
#
#   33 ILE  QD1     38 GLY  HN       5.500   (#SUP   5.35 )
 &rst
  ixpk= 5, nxpk= 0, iat=  -1, 612, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 543, 544, 545,
 &end
#
#   33 ILE  QD1     42 PHE  HN       5.310   (#SUP   5.87 )
 &rst
  ixpk= 5, nxpk= 0, iat=  -1, 663, r1= 1.30, r2= 1.80, r3= 6.38, r4= 6.88,
 igr1= 543, 544, 545,
 &end
#
#   34 GLU- HA      35 SER  HN       4.210   (#SUP   5.62 )
 &rst
  ixpk= 5, nxpk= 0, iat= 551, 564, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71,  &end
#
#   34 GLU- HA      36 GLU- HN       5.500   (#SUP   2.94 )
 &rst
  ixpk= 2, nxpk= 0, iat= 551, 575, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   34 GLU- HA      37 LYS+ HN       5.080   (#SUP   4.62 )
 &rst
  ixpk= 4, nxpk= 0, iat= 551, 590, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,  &end
#
#   34 GLU- HA      38 GLY  HN       4.520   (#SUP   4.80 )
 &rst
  ixpk= 4, nxpk= 0, iat= 551, 612, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02,  &end
#
#   34 GLU- HA      42 PHE  HN       5.190   (#SUP   4.97 )
 &rst
  ixpk= 4, nxpk= 0, iat= 551, 663, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,  &end
#
#   34 GLU- QB      35 SER  HN       4.170   (#SUP   4.04 )
 &rst
  ixpk= 4, nxpk= 0, iat=  -1, 564, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,
 igr1= 553, 554,
 &end
#
#   34 GLU- QB      39 LYS+ HN       5.060   (#SUP   2.58 )
 &rst
  ixpk= 2, nxpk= 0, iat=  -1, 619, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18,
 igr1= 553, 554,
 &end
#
#   34 GLU- QB      35 SER  HN       4.170   (#SUP   4.04 )
 &rst
  ixpk= 4, nxpk= 0, iat=  -1, 564, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,
 igr1= 553, 554,
 &end
#
#   34 GLU- HN      34 GLU- HA       3.720   (#SUP   5.01 )
 &rst
  ixpk= 5, nxpk= 0, iat= 549, 551, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22,  &end
#
#   34 GLU- HN      34 GLU- QB       3.600   (#SUP   3.21 )
 &rst
  ixpk= 3, nxpk= 0, iat= 549,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr2= 553, 554,
 &end
#
#   34 GLU- HN      35 SER  QB       5.060   (#SUP   2.26 )
 &rst
  ixpk= 2, nxpk= 0, iat= 549,  -1, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18,
 igr2= 568, 569,
 &end
#
#   34 GLU- HN      47 GLN  QE2      4.160   (#SUP   0.75 )
 &rst
  ixpk= 0, nxpk= 0, iat= 549,  -1, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,
 igr2= 742, 743,
 &end
#
#   34 GLU- QG      35 SER  HN       4.410   (#SUP   3.37 )
 &rst
  ixpk= 3, nxpk= 0, iat=  -1, 564, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr1= 556, 557,
 &end
#
#   34 GLU- QG      38 GLY  HN       5.070   (#SUP   3.91 )
 &rst
  ixpk= 3, nxpk= 0, iat=  -1, 612, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
 igr1= 556, 557,
 &end
#
#   34 GLU- QG      39 LYS+ HN       4.960   (#SUP   1.96 )
 &rst
  ixpk= 1, nxpk= 0, iat=  -1, 619, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07,
 igr1= 556, 557,
 &end
#
#   34 GLU- QG      42 PHE  HN       5.410   (#SUP   2.31 )
 &rst
  ixpk= 2, nxpk= 0, iat=  -1, 663, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 556, 557,
 &end
#
#   35 SER  HA      38 GLY  HN       4.760   (#SUP   2.30 )
 &rst
  ixpk= 2, nxpk= 0, iat= 566, 612, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,  &end
#
#   35 SER  HN      35 SER  HA       3.360   (#SUP   2.11 )
 &rst
  ixpk= 2, nxpk= 0, iat= 564, 566, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,  &end
#
#   35 SER  HN      35 SER  QB       3.170   (#SUP   3.13 )
 &rst
  ixpk= 3, nxpk= 0, iat= 564,  -1, r1= 1.30, r2= 1.80, r3= 3.56, r4= 4.06,
 igr2= 568, 569,
 &end
#
#   35 SER  HN      37 LYS+ HN       5.500   (#SUP   4.19 )
 &rst
  ixpk= 4, nxpk= 0, iat= 564, 590, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   35 SER  HN      38 GLY  HN       5.500   (#SUP   4.70 )
 &rst
  ixpk= 4, nxpk= 0, iat= 564, 612, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   35 SER  QB      36 GLU- HN       3.580   (#SUP   4.16 )
 &rst
  ixpk= 4, nxpk= 0, iat=  -1, 575, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52,
 igr1= 568, 569,
 &end
#
#   35 SER  QB      37 LYS+ HN       5.500   (#SUP   3.68 )
 &rst
  ixpk= 3, nxpk= 0, iat=  -1, 590, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 568, 569,
 &end
#
#   36 GLU- HA      37 LYS+ HN       4.330   (#SUP   5.21 )
 &rst
  ixpk= 5, nxpk= 0, iat= 577, 590, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,  &end
#
#   36 GLU- HN      36 GLU- HA       3.420   (#SUP   4.10 )
 &rst
  ixpk= 4, nxpk= 0, iat= 575, 577, r1= 1.30, r2= 1.80, r3= 3.42, r4= 3.92,  &end
#
#   36 GLU- HN      36 GLU- QB       3.080   (#SUP   4.47 )
 &rst
  ixpk= 4, nxpk= 0, iat= 575,  -1, r1= 1.30, r2= 1.80, r3= 3.46, r4= 3.96,
 igr2= 579, 580,
 &end
#
#   36 GLU- HN      36 GLU- QG       3.720   (#SUP   4.81 )
 &rst
  ixpk= 4, nxpk= 0, iat= 575,  -1, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68,
 igr2= 582, 583,
 &end
#
#   36 GLU- HN      37 LYS+ QB       5.240   (#SUP   5.07 )
 &rst
  ixpk= 5, nxpk= 0, iat= 575,  -1, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
 igr2= 594, 595,
 &end
#
#   36 GLU- HN      37 LYS+ QD       5.500   (#SUP   5.43 )
 &rst
  ixpk= 5, nxpk= 0, iat= 575,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 600, 601,
 &end
#
#   36 GLU- HN      37 LYS+ HN       3.645   (#SUP   9.14 )
 &rst
  ixpk= 9, nxpk= 0, iat= 575, 590, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14,  &end
#
#   36 GLU- HN      38 GLY  HN       5.185   (#SUP   6.74 )
 &rst
  ixpk= 6, nxpk= 0, iat= 575, 612, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68,  &end
#
#   36 GLU- QB      37 LYS+ HN       3.540   (#SUP   6.94 )
 &rst
  ixpk= 6, nxpk= 0, iat=  -1, 590, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47,
 igr1= 579, 580,
 &end
#
#   36 GLU- QB      38 GLY  HN       4.470   (#SUP   4.89 )
 &rst
  ixpk= 4, nxpk= 0, iat=  -1, 612, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52,
 igr1= 579, 580,
 &end
#
#   36 GLU- QG      37 LYS+ HN       4.940   (#SUP   5.77 )
 &rst
  ixpk= 5, nxpk= 0, iat=  -1, 590, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,
 igr1= 582, 583,
 &end
#
#   37 LYS+ HA      38 GLY  HN       4.360   (#SUP   7.03 )
 &rst
  ixpk= 7, nxpk= 0, iat= 592, 612, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86,  &end
#
#   37 LYS+ QB      38 GLY  HN       4.650   (#SUP   6.76 )
 &rst
  ixpk= 6, nxpk= 0, iat=  -1, 612, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
 igr1= 594, 595,
 &end
#
#   37 LYS+ QB      42 PHE  HN       5.500   (#SUP   1.50 )
 &rst
  ixpk= 1, nxpk= 0, iat=  -1, 663, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 594, 595,
 &end
#
#   37 LYS+ QB      38 GLY  HN       4.650   (#SUP   6.76 )
 &rst
  ixpk= 6, nxpk= 0, iat=  -1, 612, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
 igr1= 594, 595,
 &end
#
#   37 LYS+ QD      38 GLY  HN       5.350   (#SUP   7.36 )
 &rst
  ixpk= 7, nxpk= 0, iat=  -1, 612, r1= 1.30, r2= 1.80, r3= 6.01, r4= 6.51,
 igr1= 600, 601,
 &end
#
#   37 LYS+ HN      37 LYS+ HA       3.970   (#SUP   7.63 )
 &rst
  ixpk= 7, nxpk= 0, iat= 590, 592, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47,  &end
#
#   37 LYS+ HN      37 LYS+ QB       4.040   (#SUP   7.32 )
 &rst
  ixpk= 7, nxpk= 0, iat= 590,  -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
 igr2= 594, 595,
 &end
#
#   37 LYS+ HN      37 LYS+ QD       4.490   (#SUP   8.12 )
 &rst
  ixpk= 8, nxpk= 0, iat= 590,  -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr2= 600, 601,
 &end
#
#   37 LYS+ HN      37 LYS+ QG       4.250   (#SUP   8.64 )
 &rst
  ixpk= 8, nxpk= 0, iat= 590,  -1, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,
 igr2= 597, 598,
 &end
#
#   37 LYS+ HN      38 GLY  QA       5.320   (#SUP   3.77 )
 &rst
  ixpk= 3, nxpk= 0, iat= 590,  -1, r1= 1.30, r2= 1.80, r3= 5.97, r4= 6.47,
 igr2= 614, 615,
 &end
#
#   37 LYS+ HN      38 GLY  HN       3.270   (#SUP   9.74 )
 &rst
  ixpk= 9, nxpk= 0, iat= 590, 612, r1= 1.30, r2= 1.80, r3= 3.27, r4= 3.77,  &end
#
#   37 LYS+ HN      42 PHE  QD       5.070   (#SUP   5.25 )
 &rst
  ixpk= 5, nxpk= 0, iat= 590,  -1, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
 igr2= 671, 679,
 &end
#
#   37 LYS+ QG      38 GLY  HN       5.320   (#SUP   8.01 )
 &rst
  ixpk= 8, nxpk= 0, iat=  -1, 612, r1= 1.30, r2= 1.80, r3= 5.97, r4= 6.47,
 igr1= 597, 598,
 &end
#
#   38 GLY  QA      39 LYS+ HN       3.500   (#SUP   3.55 )
 &rst
  ixpk= 3, nxpk= 0, iat=  -1, 619, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 614, 615,
 &end
#
#   38 GLY  QA      40 ASP- HN       4.370   (#SUP   4.19 )
 &rst
  ixpk= 4, nxpk= 0, iat=  -1, 641, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,
 igr1= 614, 615,
 &end
#
#   38 GLY  QA      41 ALA  HN       4.980   (#SUP   3.25 )
 &rst
  ixpk= 3, nxpk= 0, iat=  -1, 653, r1= 1.30, r2= 1.80, r3= 5.59, r4= 6.09,
 igr1= 614, 615,
 &end
#
#   38 GLY  HN      38 GLY  QA       3.460   (#SUP   4.80 )
 &rst
  ixpk= 4, nxpk= 0, iat= 612,  -1, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38,
 igr2= 614, 615,
 &end
#
#   38 GLY  HN      39 LYS+ HN       4.390   (#SUP   3.55 )
 &rst
  ixpk= 3, nxpk= 0, iat= 612, 619, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89,  &end
#
#   38 GLY  HN      40 ASP- HN       5.500   (#SUP   3.55 )
 &rst
  ixpk= 3, nxpk= 0, iat= 612, 641, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   38 GLY  HN      41 ALA  MB       5.500   (#SUP   3.35 )
 &rst
  ixpk= 3, nxpk= 0, iat= 612,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 657, 658, 659,
 &end
#
#   38 GLY  HN      42 PHE  QB       5.500   (#SUP   1.47 )
 &rst
  ixpk= 1, nxpk= 0, iat= 612,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 667, 668,
 &end
#
#   38 GLY  HN      42 PHE  QD       5.500   (#SUP   8.62 )
 &rst
  ixpk= 8, nxpk= 0, iat= 612,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 671, 679,
 &end
#
#   39 LYS+ HA      40 ASP- HN       3.920   (#SUP   4.51 )
 &rst
  ixpk= 4, nxpk= 0, iat= 621, 641, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42,  &end
#
#   39 LYS+ HA      41 ALA  HN       4.900   (#SUP   4.78 )
 &rst
  ixpk= 4, nxpk= 0, iat= 621, 653, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,  &end
#
#   39 LYS+ HA      42 PHE  HN       4.430   (#SUP   5.88 )
 &rst
  ixpk= 5, nxpk= 0, iat= 621, 663, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93,  &end
#
#   39 LYS+ HA      44 VAL  HN       5.020   (#SUP   3.57 )
 &rst
  ixpk= 3, nxpk= 0, iat= 621, 697, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52,  &end
#
#   39 LYS+ HN      39 LYS+ QB       3.440   (#SUP   5.02 )
 &rst
  ixpk= 5, nxpk= 0, iat= 619,  -1, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36,
 igr2= 623, 624,
 &end
#
#   39 LYS+ HN      39 LYS+ QD       4.300   (#SUP   3.42 )
 &rst
  ixpk= 3, nxpk= 0, iat= 619,  -1, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
 igr2= 629, 630,
 &end
#
#   39 LYS+ HN      39 LYS+ QE       5.500   (#SUP   3.97 )
 &rst
  ixpk= 3, nxpk= 0, iat= 619,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 632, 633,
 &end
#
#   39 LYS+ HN      39 LYS+ QG       3.840   (#SUP   4.57 )
 &rst
  ixpk= 4, nxpk= 0, iat= 619,  -1, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81,
 igr2= 626, 627,
 &end
#
#   39 LYS+ HN      40 ASP- HA       5.500   (#SUP   3.17 )
 &rst
  ixpk= 3, nxpk= 0, iat= 619, 643, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   39 LYS+ HN      40 ASP- QB       5.500   (#SUP   3.14 )
 &rst
  ixpk= 3, nxpk= 0, iat= 619,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 645, 646,
 &end
#
#   39 LYS+ HN      41 ALA  HN       5.500   (#SUP   4.84 )
 &rst
  ixpk= 4, nxpk= 0, iat= 619, 653, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   39 LYS+ QB      40 ASP- HN       4.000   (#SUP   4.86 )
 &rst
  ixpk= 4, nxpk= 0, iat=  -1, 641, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 623, 624,
 &end
#
#   39 LYS+ QB      41 ALA  HN       5.500   (#SUP   4.78 )
 &rst
  ixpk= 4, nxpk= 0, iat=  -1, 653, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 623, 624,
 &end
#
#   39 LYS+ QB      42 PHE  HN       5.500   (#SUP   4.11 )
 &rst
  ixpk= 4, nxpk= 0, iat=  -1, 663, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 623, 624,
 &end
#
#   39 LYS+ QB      44 VAL  HN       5.500   (#SUP   1.50 )
 &rst
  ixpk= 1, nxpk= 0, iat=  -1, 697, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 623, 624,
 &end
#
#   39 LYS+ QD      42 PHE  HN       5.500   (#SUP   1.53 )
 &rst
  ixpk= 1, nxpk= 0, iat=  -1, 663, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 629, 630,
 &end
#
#   39 LYS+ QD      44 VAL  HN       5.060   (#SUP   0.99 )
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 697, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18,
 igr1= 629, 630,
 &end
#
#   39 LYS+ QE      40 ASP- HN       5.500   (#SUP   3.11 )
 &rst
  ixpk= 3, nxpk= 0, iat=  -1, 641, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 632, 633,
 &end
#
#   39 LYS+ QG      40 ASP- HN       4.270   (#SUP   4.31 )
 &rst
  ixpk= 4, nxpk= 0, iat=  -1, 641, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,
 igr1= 626, 627,
 &end
#
#   40 ASP- HA      41 ALA  HN       4.500   (#SUP   5.08 )
 &rst
  ixpk= 5, nxpk= 0, iat= 643, 653, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   40 ASP- HA      42 PHE  HN       5.500   (#SUP   3.31 )
 &rst
  ixpk= 3, nxpk= 0, iat= 643, 663, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   40 ASP- HN      40 ASP- HA       3.640   (#SUP   3.70 )
 &rst
  ixpk= 3, nxpk= 0, iat= 641, 643, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14,  &end
#
#   40 ASP- HN      40 ASP- QB       3.170   (#SUP   3.70 )
 &rst
  ixpk= 3, nxpk= 0, iat= 641,  -1, r1= 1.30, r2= 1.80, r3= 3.56, r4= 4.06,
 igr2= 645, 646,
 &end
#
#   40 ASP- HN      41 ALA  HN       3.505   (#SUP   6.55 )
 &rst
  ixpk= 6, nxpk= 0, iat= 641, 653, r1= 1.30, r2= 1.80, r3= 3.51, r4= 4.01,  &end
#
#   40 ASP- HN      41 ALA  MB       4.540   (#SUP   2.49 )
 &rst
  ixpk= 2, nxpk= 0, iat= 641,  -1, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95,
 igr2= 657, 658, 659,
 &end
#
#   40 ASP- HN      42 PHE  HN       5.035   (#SUP   5.20 )
 &rst
  ixpk= 5, nxpk= 0, iat= 641, 663, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,  &end
#
#   40 ASP- QB      41 ALA  HN       3.650   (#SUP   3.86 )
 &rst
  ixpk= 3, nxpk= 0, iat=  -1, 653, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,
 igr1= 645, 646,
 &end
#
#   41 ALA  HA      42 PHE  HN       4.180   (#SUP   4.74 )
 &rst
  ixpk= 4, nxpk= 0, iat= 655, 663, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68,  &end
#
#   41 ALA  HN      41 ALA  HA       3.810   (#SUP   4.11 )
 &rst
  ixpk= 4, nxpk= 0, iat= 653, 655, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31,  &end
#
#   41 ALA  HN      41 ALA  MB       3.290   (#SUP   5.79 )
 &rst
  ixpk= 5, nxpk= 0, iat= 653,  -1, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45,
 igr2= 657, 658, 659,
 &end
#
#   41 ALA  HN      42 PHE  HN       3.405   (#SUP   6.66 )
 &rst
  ixpk= 6, nxpk= 0, iat= 653, 663, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90,  &end
#
#   41 ALA  HN      42 PHE  QD       4.950   (#SUP   5.93 )
 &rst
  ixpk= 5, nxpk= 0, iat= 653,  -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
 igr2= 671, 679,
 &end
#
#   41 ALA  HN      43 PRO  QD       4.730   (#SUP   1.04 )
 &rst
  ixpk= 1, nxpk= 0, iat= 653,  -1, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,
 igr2= 684, 685,
 &end
#
#   41 ALA  MB      42 PHE  HN       3.550   (#SUP   7.13 )
 &rst
  ixpk= 7, nxpk= 0, iat=  -1, 663, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76,
 igr1= 657, 658, 659,
 &end
#
#   42 PHE  HN      42 PHE  HA       3.840   (#SUP   6.73 )
 &rst
  ixpk= 6, nxpk= 0, iat= 663, 665, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34,  &end
#
#   42 PHE  HN      42 PHE  QB       4.020   (#SUP   5.80 )
 &rst
  ixpk= 5, nxpk= 0, iat= 663,  -1, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01,
 igr2= 667, 668,
 &end
#
#   42 PHE  HN      42 PHE  QD       3.950   (#SUP   8.37 )
 &rst
  ixpk= 8, nxpk= 0, iat= 663,  -1, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93,
 igr2= 671, 679,
 &end
#
#   42 PHE  HN      42 PHE  QE       5.500   (#SUP   5.69 )
 &rst
  ixpk= 5, nxpk= 0, iat= 663,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 673, 677,
 &end
#
#   42 PHE  HN      43 PRO  HA       5.500   (#SUP   4.62 )
 &rst
  ixpk= 4, nxpk= 0, iat= 663, 693, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   42 PHE  HN      43 PRO  QB       5.480   (#SUP   3.24 )
 &rst
  ixpk= 3, nxpk= 0, iat= 663,  -1, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65,
 igr2= 690, 691,
 &end
#
#   42 PHE  HN      43 PRO  QG       5.230   (#SUP   3.31 )
 &rst
  ixpk= 3, nxpk= 0, iat= 663,  -1, r1= 1.30, r2= 1.80, r3= 5.87, r4= 6.37,
 igr2= 687, 688,
 &end
#
#   43 PRO  HA      44 VAL  HN       3.250   (#SUP   5.32 )
 &rst
  ixpk= 5, nxpk= 0, iat= 693, 697, r1= 1.30, r2= 1.80, r3= 3.25, r4= 3.75,  &end
#
#   43 PRO  HA      45 ALA  HN       5.000   (#SUP   3.82 )
 &rst
  ixpk= 3, nxpk= 0, iat= 693, 713, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   43 PRO  QB      46 GLY  HN       4.870   (#SUP   5.30 )
 &rst
  ixpk= 5, nxpk= 0, iat=  -1, 723, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
 igr1= 690, 691,
 &end
#
#   43 PRO  QB      44 VAL  HN       4.360   (#SUP   3.26 )
 &rst
  ixpk= 3, nxpk= 0, iat=  -1, 697, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39,
 igr1= 690, 691,
 &end
#
#   43 PRO  QB      45 ALA  HN       4.720   (#SUP   4.22 )
 &rst
  ixpk= 4, nxpk= 0, iat=  -1, 713, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 690, 691,
 &end
#
#   43 PRO  QB      46 GLY  HN       4.870   (#SUP   5.30 )
 &rst
  ixpk= 5, nxpk= 0, iat=  -1, 723, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
 igr1= 690, 691,
 &end
#
#   43 PRO  QD      46 GLY  HN       5.240   (#SUP   2.96 )
 &rst
  ixpk= 2, nxpk= 0, iat=  -1, 723, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
 igr1= 684, 685,
 &end
#
#   43 PRO  QG      46 GLY  HN       3.590   (#SUP   2.96 )
 &rst
  ixpk= 2, nxpk= 0, iat=  -1, 723, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53,
 igr1= 687, 688,
 &end
#
#   44 VAL  HA      45 ALA  HN       4.520   (#SUP   6.23 )
 &rst
  ixpk= 6, nxpk= 0, iat= 699, 713, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02,  &end
#
#   44 VAL  HA      46 GLY  HN       5.500   (#SUP   7.88 )
 &rst
  ixpk= 7, nxpk= 0, iat= 699, 723, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   44 VAL  HA      47 GLN  HN       4.630   (#SUP   5.63 )
 &rst
  ixpk= 5, nxpk= 0, iat= 699, 730, r1= 1.30, r2= 1.80, r3= 4.63, r4= 5.13,  &end
#
#   44 VAL  HB      45 ALA  HN       3.280   (#SUP   4.72 )
 &rst
  ixpk= 4, nxpk= 0, iat= 701, 713, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,  &end
#
#   44 VAL  HN      44 VAL  HA       3.950   (#SUP   4.76 )
 &rst
  ixpk= 4, nxpk= 0, iat= 697, 699, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45,  &end
#
#   44 VAL  HN      44 VAL  HB       3.290   (#SUP   4.37 )
 &rst
  ixpk= 4, nxpk= 0, iat= 697, 701, r1= 1.30, r2= 1.80, r3= 3.29, r4= 3.79,  &end
#
#   44 VAL  HN      45 ALA  HN       4.295   (#SUP   7.97 )
 &rst
  ixpk= 7, nxpk= 0, iat= 697, 713, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,  &end
#
#   44 VAL  HN      45 ALA  MB       4.690   (#SUP   3.04 )
 &rst
  ixpk= 3, nxpk= 0, iat= 697,  -1, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13,
 igr2= 717, 718, 719,
 &end
#
#   44 VAL  HN      46 GLY  HN       5.500   (#SUP   7.72 )
 &rst
  ixpk= 7, nxpk= 0, iat= 697, 723, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   44 VAL  HN      47 GLN  QG       5.500   (#SUP   2.96 )
 &rst
  ixpk= 2, nxpk= 0, iat= 697,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 737, 738,
 &end
#
#   44 VAL  HN      47 GLN  QE2      4.870   (#SUP   0.99 )
 &rst
  ixpk= 0, nxpk= 0, iat= 697,  -1, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
 igr2= 742, 743,
 &end
#
#   45 ALA  HA      46 GLY  HN       4.390   (#SUP   5.14 )
 &rst
  ixpk= 5, nxpk= 0, iat= 715, 723, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89,  &end
#
#   45 ALA  HA      47 GLN  HN       4.960   (#SUP   4.46 )
 &rst
  ixpk= 4, nxpk= 0, iat= 715, 730, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,  &end
#
#   45 ALA  HN      45 ALA  HA       3.550   (#SUP   4.50 )
 &rst
  ixpk= 4, nxpk= 0, iat= 713, 715, r1= 1.30, r2= 1.80, r3= 3.55, r4= 4.05,  &end
#
#   45 ALA  HN      45 ALA  MB       3.000   (#SUP   4.34 )
 &rst
  ixpk= 4, nxpk= 0, iat= 713,  -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr2= 717, 718, 719,
 &end
#
#   45 ALA  HN      46 GLY  QA       5.500   (#SUP   3.02 )
 &rst
  ixpk= 3, nxpk= 0, iat= 713,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 725, 726,
 &end
#
#   45 ALA  HN      46 GLY  HN       3.880   (#SUP   7.22 )
 &rst
  ixpk= 7, nxpk= 0, iat= 713, 723, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38,  &end
#
#   45 ALA  HN      47 GLN  HN       5.210   (#SUP   5.88 )
 &rst
  ixpk= 5, nxpk= 0, iat= 713, 730, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71,  &end
#
#   45 ALA  MB      46 GLY  HN       3.960   (#SUP   4.85 )
 &rst
  ixpk= 4, nxpk= 0, iat=  -1, 723, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
 igr1= 717, 718, 719,
 &end
#
#   45 ALA  MB      47 GLN  HN       4.610   (#SUP   3.88 )
 &rst
  ixpk= 3, nxpk= 0, iat=  -1, 730, r1= 1.30, r2= 1.80, r3= 5.85, r4= 6.35,
 igr1= 717, 718, 719,
 &end
#
#   46 GLY  QA      47 GLN  HN       4.180   (#SUP   4.45 )
 &rst
  ixpk= 4, nxpk= 0, iat=  -1, 730, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19,
 igr1= 725, 726,
 &end
#
#   46 GLY  QA      78 THR  HN       4.290   (#SUP   2.61 )
 &rst
  ixpk= 2, nxpk= 0, iat=  -1,1249, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32,
 igr1= 725, 726,
 &end
#
#   46 GLY  QA      47 GLN  HN       4.180   (#SUP   4.45 )
 &rst
  ixpk= 4, nxpk= 0, iat=  -1, 730, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19,
 igr1= 725, 726,
 &end
#
#   46 GLY  HN      46 GLY  QA       3.690   (#SUP   3.88 )
 &rst
  ixpk= 3, nxpk= 0, iat= 723,  -1, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64,
 igr2= 725, 726,
 &end
#
#   46 GLY  HN      47 GLN  HA       5.500   (#SUP   4.52 )
 &rst
  ixpk= 4, nxpk= 0, iat= 723, 732, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   46 GLY  HN      47 GLN  QB       4.950   (#SUP   3.54 )
 &rst
  ixpk= 3, nxpk= 0, iat= 723,  -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
 igr2= 734, 735,
 &end
#
#   46 GLY  HN      47 GLN  QG       5.050   (#SUP   3.49 )
 &rst
  ixpk= 3, nxpk= 0, iat= 723,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr2= 737, 738,
 &end
#
#   46 GLY  HN      47 GLN  HN       3.435   (#SUP   8.38 )
 &rst
  ixpk= 8, nxpk= 0, iat= 723, 730, r1= 1.30, r2= 1.80, r3= 3.43, r4= 3.93,  &end
#
#   47 GLN  HA      48 LYS+ HN       3.080   (#SUP   5.68 )
 &rst
  ixpk= 5, nxpk= 0, iat= 732, 747, r1= 1.30, r2= 1.80, r3= 3.08, r4= 3.58,  &end
#
#   47 GLN  HA      78 THR  HN       4.880   (#SUP   3.40 )
 &rst
  ixpk= 3, nxpk= 0, iat= 732,1249, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,  &end
#
#   47 GLN  QB      48 LYS+ HN       4.220   (#SUP   4.72 )
 &rst
  ixpk= 4, nxpk= 0, iat=  -1, 747, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,
 igr1= 734, 735,
 &end
#
#   47 GLN  QB      78 THR  HN       5.480   (#SUP   1.16 )
 &rst
  ixpk= 1, nxpk= 0, iat=  -1,1249, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65,
 igr1= 734, 735,
 &end
#
#   47 GLN  QG      48 LYS+ HN       4.740   (#SUP   4.97 )
 &rst
  ixpk= 4, nxpk= 0, iat=  -1, 747, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82,
 igr1= 737, 738,
 &end
#
#   47 GLN  HN      47 GLN  HA       3.960   (#SUP   6.95 )
 &rst
  ixpk= 6, nxpk= 0, iat= 730, 732, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,  &end
#
#   47 GLN  HN      47 GLN  QB       3.820   (#SUP   5.09 )
 &rst
  ixpk= 5, nxpk= 0, iat= 730,  -1, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79,
 igr2= 734, 735,
 &end
#
#   47 GLN  HN      47 GLN  QG       3.740   (#SUP   5.69 )
 &rst
  ixpk= 5, nxpk= 0, iat= 730,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2= 737, 738,
 &end
#
#   47 GLN  HN      47 GLN  QE2      5.170   (#SUP   3.12 )
 &rst
  ixpk= 3, nxpk= 0, iat= 730,  -1, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
 igr2= 742, 743,
 &end
#
#   47 GLN  HN      48 LYS+ HN       4.955   (#SUP   5.83 )
 &rst
  ixpk= 5, nxpk= 0, iat= 730, 747, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,  &end
#
#   47 GLN  HN      77 VAL  HA       5.500   (#SUP   4.01 )
 &rst
  ixpk= 4, nxpk= 0, iat= 730,1235, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   48 LYS+ HA      49 LEU  HN       3.020   (#SUP   2.67 )
 &rst
  ixpk= 2, nxpk= 0, iat= 749, 769, r1= 1.30, r2= 1.80, r3= 3.02, r4= 3.52,  &end
#
#   48 LYS+ HA      76 MET  HN       5.180   (#SUP   2.55 )
 &rst
  ixpk= 2, nxpk= 0, iat= 749,1216, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68,  &end
#
#   48 LYS+ HN      48 LYS+ HA       4.010   (#SUP   6.14 )
 &rst
  ixpk= 6, nxpk= 0, iat= 747, 749, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51,  &end
#
#   48 LYS+ HN      48 LYS+ QB       3.340   (#SUP   4.04 )
 &rst
  ixpk= 4, nxpk= 0, iat= 747,  -1, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25,
 igr2= 751, 752,
 &end
#
#   48 LYS+ HN      48 LYS+ QD       4.670   (#SUP   4.82 )
 &rst
  ixpk= 4, nxpk= 0, iat= 747,  -1, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,
 igr2= 757, 758,
 &end
#
#   48 LYS+ HN      48 LYS+ QG       4.950   (#SUP   4.04 )
 &rst
  ixpk= 4, nxpk= 0, iat= 747,  -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
 igr2= 754, 755,
 &end
#
#   48 LYS+ HN      49 LEU  HA       5.500   (#SUP   3.96 )
 &rst
  ixpk= 3, nxpk= 0, iat= 747, 771, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   48 LYS+ HN      49 LEU  HN       4.700   (#SUP   3.58 )
 &rst
  ixpk= 3, nxpk= 0, iat= 747, 769, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,  &end
#
#   48 LYS+ HN      75 VAL  HA       5.360   (#SUP   3.60 )
 &rst
  ixpk= 3, nxpk= 0, iat= 747,1202, r1= 1.30, r2= 1.80, r3= 5.36, r4= 5.86,  &end
#
#   48 LYS+ HN      76 MET  QB       5.450   (#SUP   2.11 )
 &rst
  ixpk= 2, nxpk= 0, iat= 747,  -1, r1= 1.30, r2= 1.80, r3= 6.12, r4= 6.62,
 igr2=1220,1221,
 &end
#
#   48 LYS+ HN      77 VAL  HA       4.410   (#SUP   4.38 )
 &rst
  ixpk= 4, nxpk= 0, iat= 747,1235, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,  &end
#
#   48 LYS+ QB      76 MET  HN       4.210   (#SUP   3.38 )
 &rst
  ixpk= 3, nxpk= 0, iat=  -1,1216, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,
 igr1= 751, 752,
 &end
#
#   48 LYS+ QG      76 MET  HN       4.890   (#SUP   1.70 )
 &rst
  ixpk= 1, nxpk= 0, iat=  -1,1216, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99,
 igr1= 754, 755,
 &end
#
#   49 LEU  HA      50 ILE  HN       3.130   (#SUP   4.68 )
 &rst
  ixpk= 4, nxpk= 0, iat= 771, 788, r1= 1.30, r2= 1.80, r3= 3.13, r4= 3.63,  &end
#
#   49 LEU  HA      74 VAL  HN       5.290   (#SUP   2.76 )
 &rst
  ixpk= 2, nxpk= 0, iat= 771,1184, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79,  &end
#
#   49 LEU  HA      76 MET  HN       4.240   (#SUP   4.39 )
 &rst
  ixpk= 4, nxpk= 0, iat= 771,1216, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,  &end
#
#   49 LEU  HG      50 ILE  HN       3.710   (#SUP   4.09 )
 &rst
  ixpk= 4, nxpk= 0, iat= 776, 788, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40,  &end
#
#   49 LEU  HN      49 LEU  HA       4.090   (#SUP   5.16 )
 &rst
  ixpk= 5, nxpk= 0, iat= 769, 771, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59,  &end
#
#   49 LEU  HN      49 LEU  HG       4.140   (#SUP   3.57 )
 &rst
  ixpk= 3, nxpk= 0, iat= 769, 776, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64,  &end
#
#   49 LEU  HN      49 LEU  QB       3.150   (#SUP   3.57 )
 &rst
  ixpk= 3, nxpk= 0, iat= 769,  -1, r1= 1.30, r2= 1.80, r3= 3.54, r4= 4.04,
 igr2= 773, 774,
 &end
#
#   49 LEU  HN      50 ILE  HN       5.240   (#SUP   4.21 )
 &rst
  ixpk= 4, nxpk= 0, iat= 769, 788, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,  &end
#
#   49 LEU  HN      75 VAL  HA       5.500   (#SUP   3.92 )
 &rst
  ixpk= 3, nxpk= 0, iat= 769,1202, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   49 LEU  HN      76 MET  HN       4.470   (#SUP   3.13 )
 &rst
  ixpk= 3, nxpk= 0, iat= 769,1216, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,  &end
#
#   49 LEU  QB      50 ILE  HN       4.590   (#SUP   4.09 )
 &rst
  ixpk= 4, nxpk= 0, iat=  -1, 788, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,
 igr1= 773, 774,
 &end
#
#   50 ILE  HA      51 TYR  HN       3.060   (#SUP   6.32 )
 &rst
  ixpk= 6, nxpk= 0, iat= 790, 807, r1= 1.30, r2= 1.80, r3= 3.06, r4= 3.56,  &end
#
#   50 ILE  HA      54 LYS+ HN       4.440   (#SUP   4.96 )
 &rst
  ixpk= 4, nxpk= 0, iat= 790, 845, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,  &end
#
#   50 ILE  HA      55 ILE  HN       5.500   (#SUP   5.14 )
 &rst
  ixpk= 5, nxpk= 0, iat= 790, 867, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   50 ILE  HA      56 LEU  HN       4.110   (#SUP   5.91 )
 &rst
  ixpk= 5, nxpk= 0, iat= 790, 886, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,  &end
#
#   50 ILE  HB      51 TYR  HN       4.800   (#SUP   5.86 )
 &rst
  ixpk= 5, nxpk= 0, iat= 792, 807, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,  &end
#
#   50 ILE  HB      53 GLY  HN       5.500   (#SUP   2.72 )
 &rst
  ixpk= 2, nxpk= 0, iat= 792, 838, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   50 ILE  HB      74 VAL  HN       4.200   (#SUP   1.55 )
 &rst
  ixpk= 1, nxpk= 0, iat= 792,1184, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,  &end
#
#   50 ILE  QG1     51 TYR  HN       5.200   (#SUP   5.99 )
 &rst
  ixpk= 5, nxpk= 0, iat=  -1, 807, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
 igr1= 798, 799,
 &end
#
#   50 ILE  HN      50 ILE  HA       4.260   (#SUP   5.01 )
 &rst
  ixpk= 5, nxpk= 0, iat= 788, 790, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76,  &end
#
#   50 ILE  HN      50 ILE  HB       3.680   (#SUP   4.30 )
 &rst
  ixpk= 4, nxpk= 0, iat= 788, 792, r1= 1.30, r2= 1.80, r3= 3.68, r4= 4.18,  &end
#
#   50 ILE  HN      50 ILE  QG1      3.940   (#SUP   4.30 )
 &rst
  ixpk= 4, nxpk= 0, iat= 788,  -1, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92,
 igr2= 798, 799,
 &end
#
#   50 ILE  HN      74 VAL  HB       4.270   (#SUP   1.49 )
 &rst
  ixpk= 1, nxpk= 0, iat= 788,1188, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,  &end
#
#   50 ILE  HN      75 VAL  HA       5.180   (#SUP   3.81 )
 &rst
  ixpk= 3, nxpk= 0, iat= 788,1202, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68,  &end
#
#   50 ILE  HN      75 VAL  HN       5.020   (#SUP   1.98 )
 &rst
  ixpk= 1, nxpk= 0, iat= 788,1200, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52,  &end
#
#   50 ILE  QD1     51 TYR  HN       3.610   (#SUP   5.29 )
 &rst
  ixpk= 5, nxpk= 0, iat=  -1, 807, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84,
 igr1= 801, 802, 803,
 &end
#
#   50 ILE  QD1     52 ALA  HN       5.240   (#SUP   4.18 )
 &rst
  ixpk= 4, nxpk= 0, iat=  -1, 828, r1= 1.30, r2= 1.80, r3= 6.29, r4= 6.79,
 igr1= 801, 802, 803,
 &end
#
#   50 ILE  QD1     53 GLY  HN       3.600   (#SUP   6.39 )
 &rst
  ixpk= 6, nxpk= 0, iat=  -1, 838, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82,
 igr1= 801, 802, 803,
 &end
#
#   50 ILE  QD1     54 LYS+ HN       3.730   (#SUP   7.36 )
 &rst
  ixpk= 7, nxpk= 0, iat=  -1, 845, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98,
 igr1= 801, 802, 803,
 &end
#
#   50 ILE  QD1     55 ILE  HN       4.990   (#SUP   4.75 )
 &rst
  ixpk= 4, nxpk= 0, iat=  -1, 867, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
 igr1= 801, 802, 803,
 &end
#
#   50 ILE  QD1     56 LEU  HN       5.250   (#SUP   4.00 )
 &rst
  ixpk= 4, nxpk= 0, iat=  -1, 886, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 801, 802, 803,
 &end
#
#   50 ILE  MG2     51 TYR  HN       4.550   (#SUP   4.90 )
 &rst
  ixpk= 4, nxpk= 0, iat=  -1, 807, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96,
 igr1= 794, 795, 796,
 &end
#
#   50 ILE  MG2     52 ALA  HN       5.490   (#SUP   3.19 )
 &rst
  ixpk= 3, nxpk= 0, iat=  -1, 828, r1= 1.30, r2= 1.80, r3= 6.59, r4= 7.09,
 igr1= 794, 795, 796,
 &end
#
#   50 ILE  MG2     53 GLY  HN       5.500   (#SUP   4.93 )
 &rst
  ixpk= 4, nxpk= 0, iat=  -1, 838, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 794, 795, 796,
 &end
#
#   50 ILE  MG2     54 LYS+ HN       5.500   (#SUP   4.17 )
 &rst
  ixpk= 4, nxpk= 0, iat=  -1, 845, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 794, 795, 796,
 &end
#
#   51 TYR  HA      52 ALA  HN       3.380   (#SUP   6.55 )
 &rst
  ixpk= 6, nxpk= 0, iat= 809, 828, r1= 1.30, r2= 1.80, r3= 3.38, r4= 3.88,  &end
#
#   51 TYR  HA      53 GLY  HN       4.770   (#SUP   4.15 )
 &rst
  ixpk= 4, nxpk= 0, iat= 809, 838, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,  &end
#
#   51 TYR  HA      74 VAL  HN       4.640   (#SUP   4.56 )
 &rst
  ixpk= 4, nxpk= 0, iat= 809,1184, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,  &end
#
#   51 TYR  QB      52 ALA  HN       5.500   (#SUP   5.53 )
 &rst
  ixpk= 5, nxpk= 0, iat=  -1, 828, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 811, 812,
 &end
#
#   51 TYR  QB      74 VAL  HN       5.500   (#SUP   3.48 )
 &rst
  ixpk= 3, nxpk= 0, iat=  -1,1184, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 811, 812,
 &end
#
#   51 TYR  QB      52 ALA  HN       5.500   (#SUP   5.53 )
 &rst
  ixpk= 5, nxpk= 0, iat=  -1, 828, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 811, 812,
 &end
#
#   51 TYR  QB      54 LYS+ HN       5.500   (#SUP   3.43 )
 &rst
  ixpk= 3, nxpk= 0, iat=  -1, 845, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 811, 812,
 &end
#
#   51 TYR  HN      51 TYR  HA       4.530   (#SUP   5.47 )
 &rst
  ixpk= 5, nxpk= 0, iat= 807, 809, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,  &end
#
#   51 TYR  HN      51 TYR  QB       4.030   (#SUP   5.45 )
 &rst
  ixpk= 5, nxpk= 0, iat= 807,  -1, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02,
 igr2= 811, 812,
 &end
#
#   51 TYR  HN      51 TYR  QD       4.770   (#SUP   6.03 )
 &rst
  ixpk= 6, nxpk= 0, iat= 807,  -1, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85,
 igr2= 815, 824,
 &end
#
#   51 TYR  HN      53 GLY  HN       5.430   (#SUP   8.91 )
 &rst
  ixpk= 8, nxpk= 0, iat= 807, 838, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,  &end
#
#   51 TYR  HN      54 LYS+ HN       3.970   (#SUP   9.25 )
 &rst
  ixpk= 9, nxpk= 0, iat= 807, 845, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47,  &end
#
#   51 TYR  HN      54 LYS+ QB       4.480   (#SUP   2.49 )
 &rst
  ixpk= 2, nxpk= 0, iat= 807,  -1, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,
 igr2= 849, 850,
 &end
#
#   51 TYR  HN      54 LYS+ QG       5.290   (#SUP   2.78 )
 &rst
  ixpk= 2, nxpk= 0, iat= 807,  -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
 igr2= 852, 853,
 &end
#
#   51 TYR  HN      55 ILE  HA       4.460   (#SUP   5.70 )
 &rst
  ixpk= 5, nxpk= 0, iat= 807, 869, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96,  &end
#
#   51 TYR  HN      56 LEU  HN       5.155   (#SUP   4.68 )
 &rst
  ixpk= 4, nxpk= 0, iat= 807, 886, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,  &end
#
#   51 TYR  QD      52 ALA  HN       4.410   (#SUP   7.23 )
 &rst
  ixpk= 7, nxpk= 0, iat=  -1, 828, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr1= 815, 824,
 &end
#
#   51 TYR  QD      53 GLY  HN       5.500   (#SUP   6.49 )
 &rst
  ixpk= 6, nxpk= 0, iat=  -1, 838, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 815, 824,
 &end
#
#   51 TYR  QD      54 LYS+ HN       5.500   (#SUP   6.23 )
 &rst
  ixpk= 6, nxpk= 0, iat=  -1, 845, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 815, 824,
 &end
#
#   51 TYR  QD      68 ASP- HN       5.500   (#SUP   2.96 )
 &rst
  ixpk= 2, nxpk= 0, iat=  -1,1085, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 815, 824,
 &end
#
#   51 TYR  QD      73 VAL  HN       5.500   (#SUP   2.06 )
 &rst
  ixpk= 2, nxpk= 0, iat=  -1,1168, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 815, 824,
 &end
#
#   51 TYR  QD      74 VAL  HN       4.830   (#SUP   5.85 )
 &rst
  ixpk= 5, nxpk= 0, iat=  -1,1184, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,
 igr1= 815, 824,
 &end
#
#   51 TYR  QE      52 ALA  HN       5.500   (#SUP   5.90 )
 &rst
  ixpk= 5, nxpk= 0, iat=  -1, 828, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 817, 822,
 &end
#
#   51 TYR  QE      66 LYS+ HN       5.500   (#SUP   2.92 )
 &rst
  ixpk= 2, nxpk= 0, iat=  -1,1044, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 817, 822,
 &end
#
#   51 TYR  QE      67 ILE  HN       5.500   (#SUP   4.72 )
 &rst
  ixpk= 4, nxpk= 0, iat=  -1,1066, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 817, 822,
 &end
#
#   51 TYR  QE      68 ASP- HN       4.310   (#SUP   6.43 )
 &rst
  ixpk= 6, nxpk= 0, iat=  -1,1085, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,
 igr1= 817, 822,
 &end
#
#   51 TYR  QE      71 ASN  HN       5.260   (#SUP   2.49 )
 &rst
  ixpk= 2, nxpk= 0, iat=  -1,1134, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,
 igr1= 817, 822,
 &end
#
#   51 TYR  QE      72 PHE  HN       4.260   (#SUP   3.45 )
 &rst
  ixpk= 3, nxpk= 0, iat=  -1,1148, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28,
 igr1= 817, 822,
 &end
#
#   52 ALA  HA      53 GLY  HN       3.570   (#SUP   4.70 )
 &rst
  ixpk= 4, nxpk= 0, iat= 830, 838, r1= 1.30, r2= 1.80, r3= 3.57, r4= 4.07,  &end
#
#   52 ALA  HA      54 LYS+ HN       5.190   (#SUP   4.26 )
 &rst
  ixpk= 4, nxpk= 0, iat= 830, 845, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,  &end
#
#   52 ALA  HN      52 ALA  HA       3.350   (#SUP   3.77 )
 &rst
  ixpk= 3, nxpk= 0, iat= 828, 830, r1= 1.30, r2= 1.80, r3= 3.35, r4= 3.85,  &end
#
#   52 ALA  HN      52 ALA  MB       3.800   (#SUP   5.23 )
 &rst
  ixpk= 5, nxpk= 0, iat= 828,  -1, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06,
 igr2= 832, 833, 834,
 &end
#
#   52 ALA  HN      53 GLY  QA       5.500   (#SUP   3.02 )
 &rst
  ixpk= 3, nxpk= 0, iat= 828,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 840, 841,
 &end
#
#   52 ALA  HN      53 GLY  HN       4.140   (#SUP   6.70 )
 &rst
  ixpk= 6, nxpk= 0, iat= 828, 838, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64,  &end
#
#   52 ALA  HN      54 LYS+ HN       5.500   (#SUP   6.26 )
 &rst
  ixpk= 6, nxpk= 0, iat= 828, 845, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   52 ALA  HN      73 VAL  HA       5.500   (#SUP   3.57 )
 &rst
  ixpk= 3, nxpk= 0, iat= 828,1170, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   52 ALA  MB      53 GLY  HN       4.150   (#SUP   5.35 )
 &rst
  ixpk= 5, nxpk= 0, iat=  -1, 838, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48,
 igr1= 832, 833, 834,
 &end
#
#   52 ALA  MB      54 LYS+ HN       4.320   (#SUP   4.83 )
 &rst
  ixpk= 4, nxpk= 0, iat=  -1, 845, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,
 igr1= 832, 833, 834,
 &end
#
#   52 ALA  MB      71 ASN  QD2      5.500   (#SUP   0.75 )
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 832, 833, 834,
 igr2=1143,1144,
 &end
#
#   53 GLY  QA      54 LYS+ HN       4.250   (#SUP   3.89 )
 &rst
  ixpk= 3, nxpk= 0, iat=  -1, 845, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,
 igr1= 840, 841,
 &end
#
#   53 GLY  HN      53 GLY  QA       3.510   (#SUP   3.61 )
 &rst
  ixpk= 3, nxpk= 0, iat= 838,  -1, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44,
 igr2= 840, 841,
 &end
#
#   53 GLY  HN      54 LYS+ HN       4.135   (#SUP   7.50 )
 &rst
  ixpk= 7, nxpk= 0, iat= 838, 845, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64,  &end
#
#   53 GLY  HN      54 LYS+ QB       5.110   (#SUP   2.85 )
 &rst
  ixpk= 2, nxpk= 0, iat= 838,  -1, r1= 1.30, r2= 1.80, r3= 5.74, r4= 6.24,
 igr2= 849, 850,
 &end
#
#   53 GLY  HN      54 LYS+ QG       5.500   (#SUP   3.51 )
 &rst
  ixpk= 3, nxpk= 0, iat= 838,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 852, 853,
 &end
#
#   54 LYS+ HA      55 ILE  HN       2.970   (#SUP   3.68 )
 &rst
  ixpk= 3, nxpk= 0, iat= 847, 867, r1= 1.30, r2= 1.80, r3= 2.97, r4= 3.47,  &end
#
#   54 LYS+ HN      54 LYS+ HA       3.630   (#SUP   4.68 )
 &rst
  ixpk= 4, nxpk= 0, iat= 845, 847, r1= 1.30, r2= 1.80, r3= 3.63, r4= 4.13,  &end
#
#   54 LYS+ HN      54 LYS+ QE       5.500   (#SUP   2.67 )
 &rst
  ixpk= 2, nxpk= 0, iat= 845,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 858, 859,
 &end
#
#   54 LYS+ HN      54 LYS+ QG       3.710   (#SUP   4.04 )
 &rst
  ixpk= 4, nxpk= 0, iat= 845,  -1, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66,
 igr2= 852, 853,
 &end
#
#   54 LYS+ HN      55 ILE  HN       5.060   (#SUP   4.56 )
 &rst
  ixpk= 4, nxpk= 0, iat= 845, 867, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,  &end
#
#   54 LYS+ QB      55 ILE  HN       3.670   (#SUP   3.92 )
 &rst
  ixpk= 3, nxpk= 0, iat=  -1, 867, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62,
 igr1= 849, 850,
 &end
#
#   55 ILE  HA      56 LEU  HN       3.170   (#SUP   6.02 )
 &rst
  ixpk= 6, nxpk= 0, iat= 869, 886, r1= 1.30, r2= 1.80, r3= 3.17, r4= 3.67,  &end
#
#   55 ILE  HB      56 LEU  HN       4.980   (#SUP   4.94 )
 &rst
  ixpk= 4, nxpk= 0, iat= 871, 886, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48,  &end
#
#   55 ILE  HN      55 ILE  HA       4.100   (#SUP   5.31 )
 &rst
  ixpk= 5, nxpk= 0, iat= 867, 869, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,  &end
#
#   55 ILE  HN      55 ILE  HB       3.030   (#SUP   3.99 )
 &rst
  ixpk= 3, nxpk= 0, iat= 867, 871, r1= 1.30, r2= 1.80, r3= 3.03, r4= 3.53,  &end
#
#   55 ILE  HN      55 ILE  QG1      3.670   (#SUP   3.99 )
 &rst
  ixpk= 3, nxpk= 0, iat= 867,  -1, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62,
 igr2= 877, 878,
 &end
#
#   55 ILE  HN      56 LEU  HN       5.135   (#SUP   5.50 )
 &rst
  ixpk= 5, nxpk= 0, iat= 867, 886, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,  &end
#
#   55 ILE  QG1     56 LEU  HN       5.130   (#SUP   4.94 )
 &rst
  ixpk= 4, nxpk= 0, iat=  -1, 886, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26,
 igr1= 877, 878,
 &end
#
#   55 ILE  MG2     56 LEU  HN       3.490   (#SUP   7.26 )
 &rst
  ixpk= 7, nxpk= 0, iat=  -1, 886, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69,
 igr1= 873, 874, 875,
 &end
#
#   55 ILE  MG2     57 ASN  HN       5.500   (#SUP   3.89 )
 &rst
  ixpk= 3, nxpk= 0, iat=  -1, 905, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 873, 874, 875,
 &end
#
#   56 LEU  HA      57 ASN  HN       3.130   (#SUP   5.75 )
 &rst
  ixpk= 5, nxpk= 0, iat= 888, 905, r1= 1.30, r2= 1.80, r3= 3.13, r4= 3.63,  &end
#
#   56 LEU  HN      56 LEU  HA       4.100   (#SUP   7.12 )
 &rst
  ixpk= 7, nxpk= 0, iat= 886, 888, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,  &end
#
#   56 LEU  HN      56 LEU  HG       4.320   (#SUP   4.60 )
 &rst
  ixpk= 4, nxpk= 0, iat= 886, 893, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82,  &end
#
#   56 LEU  HN      56 LEU  QB       3.660   (#SUP   6.35 )
 &rst
  ixpk= 6, nxpk= 0, iat= 886,  -1, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,
 igr2= 890, 891,
 &end
#
#   56 LEU  HN      57 ASN  HN       5.245   (#SUP   6.11 )
 &rst
  ixpk= 6, nxpk= 0, iat= 886, 905, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,  &end
#
#   56 LEU  HN      65 TYR  QE       5.500   (#SUP   3.00 )
 &rst
  ixpk= 3, nxpk= 0, iat= 886,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1033,1038,
 &end
#
#   56 LEU  QB      57 ASN  HN       4.400   (#SUP   5.12 )
 &rst
  ixpk= 5, nxpk= 0, iat=  -1, 905, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
 igr1= 890, 891,
 &end
#
#   57 ASN  HA      58 ASP- HN       3.000   (#SUP   4.23 )
 &rst
  ixpk= 4, nxpk= 0, iat= 907, 919, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   57 ASN  HA      59 ASP- HN       4.790   (#SUP   3.74 )
 &rst
  ixpk= 3, nxpk= 0, iat= 907, 931, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,  &end
#
#   57 ASN  QB      57 ASN  QD2      5.060   (#SUP   3.56 )
 &rst
  ixpk= 3, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.38, r4= 6.88,
 igr1= 909, 910,
 igr2= 914, 915,
 &end
#
#   57 ASN  QB      58 ASP- HN       4.620   (#SUP   5.20 )
 &rst
  ixpk= 5, nxpk= 0, iat=  -1, 919, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,
 igr1= 909, 910,
 &end
#
#   57 ASN  QB      60 THR  HN       5.200   (#SUP   3.13 )
 &rst
  ixpk= 3, nxpk= 0, iat=  -1, 943, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
 igr1= 909, 910,
 &end
#
#   57 ASN  QB      57 ASN  QD2      5.340   (#SUP   3.25 )
 &rst
  ixpk= 3, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 909, 910,
 igr2= 914, 915,
 &end
#
#   57 ASN  QB      58 ASP- HN       4.620   (#SUP   5.20 )
 &rst
  ixpk= 5, nxpk= 0, iat=  -1, 919, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,
 igr1= 909, 910,
 &end
#
#   57 ASN  QB      59 ASP- HN       5.120   (#SUP   6.44 )
 &rst
  ixpk= 6, nxpk= 0, iat=  -1, 931, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25,
 igr1= 909, 910,
 &end
#
#   57 ASN  QB      60 THR  HN       5.200   (#SUP   3.13 )
 &rst
  ixpk= 3, nxpk= 0, iat=  -1, 943, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
 igr1= 909, 910,
 &end
#
#   57 ASN  QD2     58 ASP- HN       5.500   (#SUP   3.39 )
 &rst
  ixpk= 3, nxpk= 0, iat=  -1, 919, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 914, 915,
 &end
#
#   57 ASN  QD2     59 ASP- QB       5.300   (#SUP   0.75 )
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.68, r4= 7.18,
 igr1= 914, 915,
 igr2= 935, 936,
 &end
#
#   57 ASN  QD2     59 ASP- HN       5.480   (#SUP   3.32 )
 &rst
  ixpk= 3, nxpk= 0, iat=  -1, 931, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65,
 igr1= 914, 915,
 &end
#
#   57 ASN  HN      57 ASN  HA       3.510   (#SUP   4.11 )
 &rst
  ixpk= 4, nxpk= 0, iat= 905, 907, r1= 1.30, r2= 1.80, r3= 3.51, r4= 4.01,  &end
#
#   57 ASN  HN      57 ASN  QB       3.570   (#SUP   4.95 )
 &rst
  ixpk= 4, nxpk= 0, iat= 905,  -1, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51,
 igr2= 909, 910,
 &end
#
#   57 ASN  HN      58 ASP- HA       5.500   (#SUP   1.22 )
 &rst
  ixpk= 1, nxpk= 0, iat= 905, 921, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   57 ASN  HN      60 THR  HB       4.700   (#SUP   1.50 )
 &rst
  ixpk= 1, nxpk= 0, iat= 905, 947, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,  &end
#
#   57 ASN  HN      65 TYR  QD       5.500   (#SUP   4.18 )
 &rst
  ixpk= 4, nxpk= 0, iat= 905,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1031,1040,
 &end
#
#   57 ASN  HN      65 TYR  QE       4.170   (#SUP   4.75 )
 &rst
  ixpk= 4, nxpk= 0, iat= 905,  -1, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,
 igr2=1033,1038,
 &end
#
#   58 ASP- HA      59 ASP- HN       4.240   (#SUP   3.57 )
 &rst
  ixpk= 3, nxpk= 0, iat= 921, 931, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,  &end
#
#   58 ASP- HN      58 ASP- HA       3.740   (#SUP   3.42 )
 &rst
  ixpk= 3, nxpk= 0, iat= 919, 921, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24,  &end
#
#   58 ASP- HN      58 ASP- QB       3.190   (#SUP   3.02 )
 &rst
  ixpk= 3, nxpk= 0, iat= 919,  -1, r1= 1.30, r2= 1.80, r3= 3.58, r4= 4.08,
 igr2= 923, 924,
 &end
#
#   58 ASP- HN      59 ASP- HN       4.130   (#SUP   4.97 )
 &rst
  ixpk= 4, nxpk= 0, iat= 919, 931, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63,  &end
#
#   58 ASP- QB      59 ASP- HN       3.450   (#SUP   4.80 )
 &rst
  ixpk= 4, nxpk= 0, iat=  -1, 931, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37,
 igr1= 923, 924,
 &end
#
#   58 ASP- QB      60 THR  HN       5.080   (#SUP   2.61 )
 &rst
  ixpk= 2, nxpk= 0, iat=  -1, 943, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,
 igr1= 923, 924,
 &end
#
#   59 ASP- HA      60 THR  HN       3.940   (#SUP   4.22 )
 &rst
  ixpk= 4, nxpk= 0, iat= 933, 943, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44,  &end
#
#   59 ASP- QB      60 THR  HN       5.020   (#SUP   4.10 )
 &rst
  ixpk= 4, nxpk= 0, iat=  -1, 943, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13,
 igr1= 935, 936,
 &end
#
#   59 ASP- HN      59 ASP- HA       3.710   (#SUP   4.51 )
 &rst
  ixpk= 4, nxpk= 0, iat= 931, 933, r1= 1.30, r2= 1.80, r3= 3.71, r4= 4.21,  &end
#
#   59 ASP- HN      59 ASP- QB       3.720   (#SUP   4.38 )
 &rst
  ixpk= 4, nxpk= 0, iat= 931,  -1, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68,
 igr2= 935, 936,
 &end
#
#   59 ASP- HN      60 THR  HB       4.740   (#SUP   2.93 )
 &rst
  ixpk= 2, nxpk= 0, iat= 931, 947, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,  &end
#
#   59 ASP- HN      60 THR  HN       3.485   (#SUP   5.86 )
 &rst
  ixpk= 5, nxpk= 0, iat= 931, 943, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98,  &end
#
#   60 THR  HA      61 ALA  HN       2.870   (#SUP   3.54 )
 &rst
  ixpk= 3, nxpk= 0, iat= 945, 957, r1= 1.30, r2= 1.80, r3= 2.87, r4= 3.37,  &end
#
#   60 THR  HB      61 ALA  HN       4.700   (#SUP   3.54 )
 &rst
  ixpk= 3, nxpk= 0, iat= 947, 957, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,  &end
#
#   60 THR  HN      60 THR  HA       3.580   (#SUP   4.22 )
 &rst
  ixpk= 4, nxpk= 0, iat= 943, 945, r1= 1.30, r2= 1.80, r3= 3.58, r4= 4.08,  &end
#
#   60 THR  HN      60 THR  HB       3.180   (#SUP   4.85 )
 &rst
  ixpk= 4, nxpk= 0, iat= 943, 947, r1= 1.30, r2= 1.80, r3= 3.18, r4= 3.68,  &end
#
#   60 THR  HN      60 THR  MG2      3.580   (#SUP   4.51 )
 &rst
  ixpk= 4, nxpk= 0, iat= 943,  -1, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
 igr2= 949, 950, 951,
 &end
#
#   60 THR  HN      61 ALA  HN       4.900   (#SUP   3.62 )
 &rst
  ixpk= 3, nxpk= 0, iat= 943, 957, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,  &end
#
#   60 THR  HN      65 TYR  QE       4.670   (#SUP   3.00 )
 &rst
  ixpk= 3, nxpk= 0, iat= 943,  -1, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,
 igr2=1033,1038,
 &end
#
#   60 THR  MG2     61 ALA  HN       3.300   (#SUP   3.35 )
 &rst
  ixpk= 3, nxpk= 0, iat=  -1, 957, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
 igr1= 949, 950, 951,
 &end
#
#   60 THR  MG2     65 TYR  HN       4.540   (#SUP   2.25 )
 &rst
  ixpk= 2, nxpk= 0, iat=  -1,1023, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95,
 igr1= 949, 950, 951,
 &end
#
#   61 ALA  HA      62 LEU  HN       3.150   (#SUP   3.30 )
 &rst
  ixpk= 3, nxpk= 0, iat= 959, 967, r1= 1.30, r2= 1.80, r3= 3.15, r4= 3.65,  &end
#
#   61 ALA  HA      64 GLU- HN       5.500   (#SUP   2.72 )
 &rst
  ixpk= 2, nxpk= 0, iat= 959,1008, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   61 ALA  HN      61 ALA  HA       4.280   (#SUP   3.15 )
 &rst
  ixpk= 3, nxpk= 0, iat= 957, 959, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78,  &end
#
#   61 ALA  HN      61 ALA  MB       3.080   (#SUP   3.15 )
 &rst
  ixpk= 3, nxpk= 0, iat= 957,  -1, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
 igr2= 961, 962, 963,
 &end
#
#   61 ALA  HN      62 LEU  HN       5.500   (#SUP   3.80 )
 &rst
  ixpk= 3, nxpk= 0, iat= 957, 967, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   61 ALA  HN      63 LYS+ QE       5.500   (#SUP   2.31 )
 &rst
  ixpk= 2, nxpk= 0, iat= 957,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 999,1000,
 &end
#
#   61 ALA  HN      64 GLU- QB       5.060   (#SUP   2.70 )
 &rst
  ixpk= 2, nxpk= 0, iat= 957,  -1, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18,
 igr2=1012,1013,
 &end
#
#   61 ALA  HN      64 GLU- QG       5.450   (#SUP   3.24 )
 &rst
  ixpk= 3, nxpk= 0, iat= 957,  -1, r1= 1.30, r2= 1.80, r3= 6.12, r4= 6.62,
 igr2=1015,1016,
 &end
#
#   61 ALA  HN      64 GLU- HN       5.500   (#SUP   8.41 )
 &rst
  ixpk= 8, nxpk= 0, iat= 957,1008, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   61 ALA  HN      65 TYR  QE       5.500   (#SUP   6.68 )
 &rst
  ixpk= 6, nxpk= 0, iat= 957,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1033,1038,
 &end
#
#   61 ALA  MB      62 LEU  HN       3.720   (#SUP   4.50 )
 &rst
  ixpk= 4, nxpk= 0, iat=  -1, 967, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97,
 igr1= 961, 962, 963,
 &end
#
#   61 ALA  MB      63 LYS+ HN       3.760   (#SUP   2.95 )
 &rst
  ixpk= 2, nxpk= 0, iat=  -1, 986, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02,
 igr1= 961, 962, 963,
 &end
#
#   61 ALA  MB      64 GLU- HN       4.260   (#SUP   4.34 )
 &rst
  ixpk= 4, nxpk= 0, iat=  -1,1008, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
 igr1= 961, 962, 963,
 &end
#
#   62 LEU  HA      63 LYS+ HN       4.420   (#SUP   7.40 )
 &rst
  ixpk= 7, nxpk= 0, iat= 969, 986, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92,  &end
#
#   62 LEU  HA      64 GLU- HN       4.560   (#SUP   9.57 )
 &rst
  ixpk= 9, nxpk= 0, iat= 969,1008, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06,  &end
#
#   62 LEU  HA      65 TYR  HN       5.050   (#SUP   7.82 )
 &rst
  ixpk= 7, nxpk= 0, iat= 969,1023, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,  &end
#
#   62 LEU  HN      62 LEU  HA       3.920   (#SUP   6.30 )
 &rst
  ixpk= 6, nxpk= 0, iat= 967, 969, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42,  &end
#
#   62 LEU  HN      62 LEU  HG       3.440   (#SUP   5.13 )
 &rst
  ixpk= 5, nxpk= 0, iat= 967, 974, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,  &end
#
#   62 LEU  HN      62 LEU  QB       3.550   (#SUP   5.88 )
 &rst
  ixpk= 5, nxpk= 0, iat= 967,  -1, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48,
 igr2= 971, 972,
 &end
#
#   62 LEU  HN      63 LYS+ HN       3.975   (#SUP   8.30 )
 &rst
  ixpk= 8, nxpk= 0, iat= 967, 986, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47,  &end
#
#   62 LEU  HN      64 GLU- HN       5.500   (#SUP   8.26 )
 &rst
  ixpk= 8, nxpk= 0, iat= 967,1008, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   62 LEU  HN      65 TYR  QD       5.500   (#SUP   3.49 )
 &rst
  ixpk= 3, nxpk= 0, iat= 967,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1031,1040,
 &end
#
#   62 LEU  QB      63 LYS+ HN       3.620   (#SUP   5.20 )
 &rst
  ixpk= 5, nxpk= 0, iat=  -1, 986, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56,
 igr1= 971, 972,
 &end
#
#   63 LYS+ HA      64 GLU- HN       4.390   (#SUP   7.38 )
 &rst
  ixpk= 7, nxpk= 0, iat= 988,1008, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89,  &end
#
#   63 LYS+ HA      65 TYR  HN       4.890   (#SUP   6.45 )
 &rst
  ixpk= 6, nxpk= 0, iat= 988,1023, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39,  &end
#
#   63 LYS+ HA      66 LYS+ HN       4.650   (#SUP   4.17 )
 &rst
  ixpk= 4, nxpk= 0, iat= 988,1044, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,  &end
#
#   63 LYS+ QB      64 GLU- HN       4.740   (#SUP   7.29 )
 &rst
  ixpk= 7, nxpk= 0, iat=  -1,1008, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82,
 igr1= 990, 991,
 &end
#
#   63 LYS+ QB      65 TYR  HN       5.450   (#SUP   5.11 )
 &rst
  ixpk= 5, nxpk= 0, iat=  -1,1023, r1= 1.30, r2= 1.80, r3= 6.12, r4= 6.62,
 igr1= 990, 991,
 &end
#
#   63 LYS+ QB      67 ILE  HN       4.990   (#SUP   0.75 )
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1066, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,
 igr1= 990, 991,
 &end
#
#   63 LYS+ QG      64 GLU- HN       3.980   (#SUP   6.31 )
 &rst
  ixpk= 6, nxpk= 0, iat=  -1,1008, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97,
 igr1= 993, 994,
 &end
#
#   63 LYS+ HN      63 LYS+ HA       3.480   (#SUP   7.56 )
 &rst
  ixpk= 7, nxpk= 0, iat= 986, 988, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98,  &end
#
#   63 LYS+ HN      63 LYS+ QB       3.620   (#SUP   7.33 )
 &rst
  ixpk= 7, nxpk= 0, iat= 986,  -1, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56,
 igr2= 990, 991,
 &end
#
#   63 LYS+ HN      63 LYS+ QG       3.810   (#SUP   7.54 )
 &rst
  ixpk= 7, nxpk= 0, iat= 986,  -1, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78,
 igr2= 993, 994,
 &end
#
#   63 LYS+ HN      63 LYS+ QD       4.340   (#SUP   8.20 )
 &rst
  ixpk= 8, nxpk= 0, iat= 986,  -1, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37,
 igr2= 996, 997,
 &end
#
#   63 LYS+ HN      63 LYS+ QE       5.220   (#SUP   6.53 )
 &rst
  ixpk= 6, nxpk= 0, iat= 986,  -1, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36,
 igr2= 999,1000,
 &end
#
#   63 LYS+ HN      64 GLU- QB       5.500   (#SUP   4.71 )
 &rst
  ixpk= 4, nxpk= 0, iat= 986,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1012,1013,
 &end
#
#   63 LYS+ HN      64 GLU- HN       4.060   (#SUP  10.00 )
 &rst
  ixpk= 10, nxpk= 0, iat= 986,1008, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56,  &end
#
#   63 LYS+ HN      65 TYR  HN       5.500   (#SUP   8.83 )
 &rst
  ixpk= 8, nxpk= 0, iat= 986,1023, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   63 LYS+ HN      65 TYR  QD       5.500   (#SUP   4.86 )
 &rst
  ixpk= 4, nxpk= 0, iat= 986,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1031,1040,
 &end
#
#   63 LYS+ QD      64 GLU- HN       3.290   (#SUP   8.41 )
 &rst
  ixpk= 8, nxpk= 0, iat=  -1,1008, r1= 1.30, r2= 1.80, r3= 3.69, r4= 4.19,
 igr1= 996, 997,
 &end
#
#   63 LYS+ QD      65 TYR  HN       4.160   (#SUP   6.89 )
 &rst
  ixpk= 6, nxpk= 0, iat=  -1,1023, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
 igr1= 996, 997,
 &end
#
#   63 LYS+ QD      66 LYS+ HN       5.500   (#SUP   3.54 )
 &rst
  ixpk= 3, nxpk= 0, iat=  -1,1044, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 996, 997,
 &end
#
#   63 LYS+ QE      64 GLU- HN       5.500   (#SUP   6.05 )
 &rst
  ixpk= 6, nxpk= 0, iat=  -1,1008, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 999,1000,
 &end
#
#   64 GLU- HA      65 TYR  HN       4.130   (#SUP   8.22 )
 &rst
  ixpk= 8, nxpk= 0, iat=1010,1023, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63,  &end
#
#   64 GLU- HA      66 LYS+ HN       5.280   (#SUP   3.77 )
 &rst
  ixpk= 3, nxpk= 0, iat=1010,1044, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,  &end
#
#   64 GLU- QB      65 TYR  HN       5.500   (#SUP   6.12 )
 &rst
  ixpk= 6, nxpk= 0, iat=  -1,1023, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1012,1013,
 &end
#
#   64 GLU- HN      64 GLU- HA       3.750   (#SUP   7.72 )
 &rst
  ixpk= 7, nxpk= 0, iat=1008,1010, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25,  &end
#
#   64 GLU- HN      64 GLU- QB       4.080   (#SUP   6.68 )
 &rst
  ixpk= 6, nxpk= 0, iat=1008,  -1, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
 igr2=1012,1013,
 &end
#
#   64 GLU- HN      64 GLU- QG       3.680   (#SUP   6.79 )
 &rst
  ixpk= 6, nxpk= 0, iat=1008,  -1, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,
 igr2=1015,1016,
 &end
#
#   64 GLU- HN      65 TYR  HA       5.470   (#SUP   6.56 )
 &rst
  ixpk= 6, nxpk= 0, iat=1008,1025, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,  &end
#
#   64 GLU- HN      65 TYR  QB       5.330   (#SUP   6.04 )
 &rst
  ixpk= 6, nxpk= 0, iat=1008,  -1, r1= 1.30, r2= 1.80, r3= 5.98, r4= 6.48,
 igr2=1027,1028,
 &end
#
#   64 GLU- HN      65 TYR  HN       3.695   (#SUP  10.00 )
 &rst
  ixpk= 10, nxpk= 0, iat=1008,1023, r1= 1.30, r2= 1.80, r3= 3.69, r4= 4.19,  &end
#
#   64 GLU- HN      65 TYR  QD       5.160   (#SUP   7.70 )
 &rst
  ixpk= 7, nxpk= 0, iat=1008,  -1, r1= 1.30, r2= 1.80, r3= 5.79, r4= 6.29,
 igr2=1031,1040,
 &end
#
#   64 GLU- HN      65 TYR  QE       5.500   (#SUP   5.65 )
 &rst
  ixpk= 5, nxpk= 0, iat=1008,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1033,1038,
 &end
#
#   64 GLU- HN      66 LYS+ HN       5.380   (#SUP   7.21 )
 &rst
  ixpk= 7, nxpk= 0, iat=1008,1044, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88,  &end
#
#   65 TYR  HA      66 LYS+ HN       4.240   (#SUP   7.41 )
 &rst
  ixpk= 7, nxpk= 0, iat=1025,1044, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,  &end
#
#   65 TYR  QB      66 LYS+ HN       4.600   (#SUP   6.39 )
 &rst
  ixpk= 6, nxpk= 0, iat=  -1,1044, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
 igr1=1027,1028,
 &end
#
#   65 TYR  QB      67 ILE  HN       5.010   (#SUP   6.19 )
 &rst
  ixpk= 6, nxpk= 0, iat=  -1,1066, r1= 1.30, r2= 1.80, r3= 5.62, r4= 6.12,
 igr1=1027,1028,
 &end
#
#   65 TYR  QB      66 LYS+ HN       4.600   (#SUP   6.39 )
 &rst
  ixpk= 6, nxpk= 0, iat=  -1,1044, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
 igr1=1027,1028,
 &end
#
#   65 TYR  HN      65 TYR  HA       3.820   (#SUP   7.87 )
 &rst
  ixpk= 7, nxpk= 0, iat=1023,1025, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32,  &end
#
#   65 TYR  HN      65 TYR  QB       3.810   (#SUP   6.49 )
 &rst
  ixpk= 6, nxpk= 0, iat=1023,  -1, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78,
 igr2=1027,1028,
 &end
#
#   65 TYR  HN      65 TYR  QD       3.590   (#SUP   7.95 )
 &rst
  ixpk= 7, nxpk= 0, iat=1023,  -1, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53,
 igr2=1031,1040,
 &end
#
#   65 TYR  HN      65 TYR  QE       4.860   (#SUP   6.63 )
 &rst
  ixpk= 6, nxpk= 0, iat=1023,  -1, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96,
 igr2=1033,1038,
 &end
#
#   65 TYR  HN      66 LYS+ HA       4.600   (#SUP   5.85 )
 &rst
  ixpk= 5, nxpk= 0, iat=1023,1046, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,  &end
#
#   65 TYR  HN      66 LYS+ HN       3.570   (#SUP  10.00 )
 &rst
  ixpk= 10, nxpk= 0, iat=1023,1044, r1= 1.30, r2= 1.80, r3= 3.57, r4= 4.07,  &end
#
#   65 TYR  HN      66 LYS+ QG       4.460   (#SUP   5.85 )
 &rst
  ixpk= 5, nxpk= 0, iat=1023,  -1, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51,
 igr2=1051,1052,
 &end
#
#   65 TYR  HN      67 ILE  HN       5.145   (#SUP   6.84 )
 &rst
  ixpk= 6, nxpk= 0, iat=1023,1066, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,  &end
#
#   65 TYR  HN      67 ILE  QG1      5.330   (#SUP   2.68 )
 &rst
  ixpk= 2, nxpk= 0, iat=1023,  -1, r1= 1.30, r2= 1.80, r3= 5.98, r4= 6.48,
 igr2=1076,1077,
 &end
#
#   65 TYR  QD      66 LYS+ HN       4.890   (#SUP   8.62 )
 &rst
  ixpk= 8, nxpk= 0, iat=  -1,1044, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99,
 igr1=1031,1040,
 &end
#
#   65 TYR  QD      67 ILE  HN       5.410   (#SUP   3.88 )
 &rst
  ixpk= 3, nxpk= 0, iat=  -1,1066, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1031,1040,
 &end
#
#   66 LYS+ HA      67 ILE  HN       3.460   (#SUP   6.84 )
 &rst
  ixpk= 6, nxpk= 0, iat=1046,1066, r1= 1.30, r2= 1.80, r3= 3.46, r4= 3.96,  &end
#
#   66 LYS+ QB      67 ILE  HN       5.420   (#SUP   6.26 )
 &rst
  ixpk= 6, nxpk= 0, iat=  -1,1066, r1= 1.30, r2= 1.80, r3= 6.08, r4= 6.58,
 igr1=1048,1049,
 &end
#
#   66 LYS+ HN      66 LYS+ HA       3.000   (#SUP   7.30 )
 &rst
  ixpk= 7, nxpk= 0, iat=1044,1046, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   66 LYS+ HN      66 LYS+ QB       4.220   (#SUP   7.49 )
 &rst
  ixpk= 7, nxpk= 0, iat=1044,  -1, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,
 igr2=1048,1049,
 &end
#
#   66 LYS+ HN      66 LYS+ QD       4.600   (#SUP   5.32 )
 &rst
  ixpk= 5, nxpk= 0, iat=1044,  -1, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
 igr2=1054,1055,
 &end
#
#   66 LYS+ HN      66 LYS+ QE       5.440   (#SUP   5.10 )
 &rst
  ixpk= 5, nxpk= 0, iat=1044,  -1, r1= 1.30, r2= 1.80, r3= 6.11, r4= 6.61,
 igr2=1057,1058,
 &end
#
#   66 LYS+ HN      66 LYS+ QG       3.370   (#SUP   8.52 )
 &rst
  ixpk= 8, nxpk= 0, iat=1044,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr2=1051,1052,
 &end
#
#   66 LYS+ HN      67 ILE  HN       3.955   (#SUP  10.00 )
 &rst
  ixpk= 10, nxpk= 0, iat=1044,1066, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45,  &end
#
#   66 LYS+ HN      67 ILE  QD1      5.500   (#SUP   5.79 )
 &rst
  ixpk= 5, nxpk= 0, iat=1044,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1079,1080,1081,
 &end
#
#   66 LYS+ HN      67 ILE  QG1      5.090   (#SUP   5.32 )
 &rst
  ixpk= 5, nxpk= 0, iat=1044,  -1, r1= 1.30, r2= 1.80, r3= 5.71, r4= 6.21,
 igr2=1076,1077,
 &end
#
#   66 LYS+ QG      67 ILE  HN       4.950   (#SUP   7.21 )
 &rst
  ixpk= 7, nxpk= 0, iat=  -1,1066, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
 igr1=1051,1052,
 &end
#
#   67 ILE  HA      68 ASP- HN       3.040   (#SUP   5.57 )
 &rst
  ixpk= 5, nxpk= 0, iat=1068,1085, r1= 1.30, r2= 1.80, r3= 3.04, r4= 3.54,  &end
#
#   67 ILE  HB      68 ASP- HN       4.800   (#SUP   5.57 )
 &rst
  ixpk= 5, nxpk= 0, iat=1070,1085, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,  &end
#
#   67 ILE  HN      67 ILE  HA       3.830   (#SUP   6.57 )
 &rst
  ixpk= 6, nxpk= 0, iat=1066,1068, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33,  &end
#
#   67 ILE  HN      67 ILE  HB       3.300   (#SUP   6.57 )
 &rst
  ixpk= 6, nxpk= 0, iat=1066,1070, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
#   67 ILE  HN      67 ILE  QD1      3.860   (#SUP   6.53 )
 &rst
  ixpk= 6, nxpk= 0, iat=1066,  -1, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,
 igr2=1079,1080,1081,
 &end
#
#   67 ILE  HN      67 ILE  QG1      3.450   (#SUP   7.07 )
 &rst
  ixpk= 7, nxpk= 0, iat=1066,  -1, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37,
 igr2=1076,1077,
 &end
#
#   67 ILE  HN      67 ILE  MG2      3.680   (#SUP   6.14 )
 &rst
  ixpk= 6, nxpk= 0, iat=1066,  -1, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
 igr2=1072,1073,1074,
 &end
#
#   67 ILE  HN      68 ASP- HN       5.360   (#SUP   5.62 )
 &rst
  ixpk= 5, nxpk= 0, iat=1066,1085, r1= 1.30, r2= 1.80, r3= 5.36, r4= 5.86,  &end
#
#   67 ILE  QD1     68 ASP- HN       4.740   (#SUP   4.93 )
 &rst
  ixpk= 4, nxpk= 0, iat=  -1,1085, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
 igr1=1079,1080,1081,
 &end
#
#   67 ILE  QG1     68 ASP- HN       4.930   (#SUP   5.47 )
 &rst
  ixpk= 5, nxpk= 0, iat=  -1,1085, r1= 1.30, r2= 1.80, r3= 5.53, r4= 6.03,
 igr1=1076,1077,
 &end
#
#   67 ILE  MG2     68 ASP- HN       3.570   (#SUP   7.05 )
 &rst
  ixpk= 7, nxpk= 0, iat=  -1,1085, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79,
 igr1=1072,1073,1074,
 &end
#
#   67 ILE  MG2     69 GLU- HN       5.430   (#SUP   4.23 )
 &rst
  ixpk= 4, nxpk= 0, iat=  -1,1097, r1= 1.30, r2= 1.80, r3= 6.52, r4= 7.02,
 igr1=1072,1073,1074,
 &end
#
#   67 ILE  MG2     70 LYS+ HN       5.500   (#SUP   5.31 )
 &rst
  ixpk= 5, nxpk= 0, iat=  -1,1112, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=1072,1073,1074,
 &end
#
#   67 ILE  MG2     71 ASN  HN       5.290   (#SUP   3.60 )
 &rst
  ixpk= 3, nxpk= 0, iat=  -1,1134, r1= 1.30, r2= 1.80, r3= 6.35, r4= 6.85,
 igr1=1072,1073,1074,
 &end
#
#   67 ILE  MG2     72 PHE  HN       5.500   (#SUP   0.82 )
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1148, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=1072,1073,1074,
 &end
#
#   68 ASP- HA      69 GLU- HN       3.120   (#SUP   4.80 )
 &rst
  ixpk= 4, nxpk= 0, iat=1087,1097, r1= 1.30, r2= 1.80, r3= 3.12, r4= 3.62,  &end
#
#   68 ASP- HA      70 LYS+ HN       4.270   (#SUP   5.71 )
 &rst
  ixpk= 5, nxpk= 0, iat=1087,1112, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,  &end
#
#   68 ASP- HA      71 ASN  HN       4.690   (#SUP   4.70 )
 &rst
  ixpk= 4, nxpk= 0, iat=1087,1134, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19,  &end
#
#   68 ASP- HN      68 ASP- HA       3.720   (#SUP   3.57 )
 &rst
  ixpk= 3, nxpk= 0, iat=1085,1087, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22,  &end
#
#   68 ASP- HN      68 ASP- QB       3.230   (#SUP   4.38 )
 &rst
  ixpk= 4, nxpk= 0, iat=1085,  -1, r1= 1.30, r2= 1.80, r3= 3.63, r4= 4.13,
 igr2=1089,1090,
 &end
#
#   68 ASP- HN      69 GLU- HN       5.200   (#SUP   5.52 )
 &rst
  ixpk= 5, nxpk= 0, iat=1085,1097, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,  &end
#
#   68 ASP- HN      70 LYS+ HN       5.500   (#SUP   6.32 )
 &rst
  ixpk= 6, nxpk= 0, iat=1085,1112, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   68 ASP- HN      71 ASN  HN       5.500   (#SUP   5.30 )
 &rst
  ixpk= 5, nxpk= 0, iat=1085,1134, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   68 ASP- QB      69 GLU- HN       3.810   (#SUP   6.53 )
 &rst
  ixpk= 6, nxpk= 0, iat=  -1,1097, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78,
 igr1=1089,1090,
 &end
#
#   68 ASP- QB      70 LYS+ HN       4.280   (#SUP   8.15 )
 &rst
  ixpk= 8, nxpk= 0, iat=  -1,1112, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1=1089,1090,
 &end
#
#   68 ASP- QB      71 ASN  QD2      4.680   (#SUP   2.01 )
 &rst
  ixpk= 2, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,
 igr1=1089,1090,
 igr2=1143,1144,
 &end
#
#   68 ASP- QB      71 ASN  HN       4.030   (#SUP   8.61 )
 &rst
  ixpk= 8, nxpk= 0, iat=  -1,1134, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02,
 igr1=1089,1090,
 &end
#
#   69 GLU- HA      70 LYS+ HN       4.250   (#SUP   8.78 )
 &rst
  ixpk= 8, nxpk= 0, iat=1099,1112, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75,  &end
#
#   69 GLU- HA      71 ASN  HN       4.450   (#SUP   4.94 )
 &rst
  ixpk= 4, nxpk= 0, iat=1099,1134, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95,  &end
#
#   69 GLU- QB      70 LYS+ HN       5.500   (#SUP   6.89 )
 &rst
  ixpk= 6, nxpk= 0, iat=  -1,1112, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1101,1102,
 &end
#
#   69 GLU- QG      70 LYS+ HN       4.620   (#SUP   7.24 )
 &rst
  ixpk= 7, nxpk= 0, iat=  -1,1112, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,
 igr1=1104,1105,
 &end
#
#   69 GLU- QG      71 ASN  HN       5.500   (#SUP   4.94 )
 &rst
  ixpk= 4, nxpk= 0, iat=  -1,1134, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1104,1105,
 &end
#
#   69 GLU- HN      69 GLU- HA       3.600   (#SUP   6.57 )
 &rst
  ixpk= 6, nxpk= 0, iat=1097,1099, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,  &end
#
#   69 GLU- HN      69 GLU- QB       4.180   (#SUP   5.92 )
 &rst
  ixpk= 5, nxpk= 0, iat=1097,  -1, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19,
 igr2=1101,1102,
 &end
#
#   69 GLU- HN      69 GLU- QG       3.880   (#SUP   6.23 )
 &rst
  ixpk= 6, nxpk= 0, iat=1097,  -1, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86,
 igr2=1104,1105,
 &end
#
#   69 GLU- HN      70 LYS+ HN       4.220   (#SUP  10.00 )
 &rst
  ixpk= 10, nxpk= 0, iat=1097,1112, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72,  &end
#
#   69 GLU- HN      70 LYS+ QE       5.500   (#SUP   3.89 )
 &rst
  ixpk= 3, nxpk= 0, iat=1097,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1125,1126,
 &end
#
#   69 GLU- HN      70 LYS+ QG       5.000   (#SUP   5.52 )
 &rst
  ixpk= 5, nxpk= 0, iat=1097,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=1119,1120,
 &end
#
#   69 GLU- HN      71 ASN  HN       5.270   (#SUP   7.98 )
 &rst
  ixpk= 7, nxpk= 0, iat=1097,1134, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77,  &end
#
#   70 LYS+ HA      71 ASN  HN       3.970   (#SUP   6.45 )
 &rst
  ixpk= 6, nxpk= 0, iat=1114,1134, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47,  &end
#
#   70 LYS+ QD      71 ASN  HN       5.070   (#SUP   6.13 )
 &rst
  ixpk= 6, nxpk= 0, iat=  -1,1134, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
 igr1=1122,1123,
 &end
#
#   70 LYS+ HN      70 LYS+ HA       3.650   (#SUP   6.83 )
 &rst
  ixpk= 6, nxpk= 0, iat=1112,1114, r1= 1.30, r2= 1.80, r3= 3.65, r4= 4.15,  &end
#
#   70 LYS+ HN      70 LYS+ QD       5.170   (#SUP   6.92 )
 &rst
  ixpk= 6, nxpk= 0, iat=1112,  -1, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
 igr2=1122,1123,
 &end
#
#   70 LYS+ HN      70 LYS+ QB       3.380   (#SUP   7.06 )
 &rst
  ixpk= 7, nxpk= 0, iat=1112,  -1, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29,
 igr2=1116,1117,
 &end
#
#   70 LYS+ HN      70 LYS+ QE       4.790   (#SUP   6.72 )
 &rst
  ixpk= 6, nxpk= 0, iat=1112,  -1, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88,
 igr2=1125,1126,
 &end
#
#   70 LYS+ HN      70 LYS+ QG       3.470   (#SUP   8.52 )
 &rst
  ixpk= 8, nxpk= 0, iat=1112,  -1, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39,
 igr2=1119,1120,
 &end
#
#   70 LYS+ HN      71 ASN  HA       5.500   (#SUP   4.66 )
 &rst
  ixpk= 4, nxpk= 0, iat=1112,1136, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   70 LYS+ HN      71 ASN  QB       5.140   (#SUP   5.02 )
 &rst
  ixpk= 5, nxpk= 0, iat=1112,  -1, r1= 1.30, r2= 1.80, r3= 5.77, r4= 6.27,
 igr2=1138,1139,
 &end
#
#   70 LYS+ HN      71 ASN  HN       3.260   (#SUP  10.00 )
 &rst
  ixpk= 10, nxpk= 0, iat=1112,1134, r1= 1.30, r2= 1.80, r3= 3.26, r4= 3.76,  &end
#
#   70 LYS+ QB      71 ASN  HN       4.370   (#SUP   6.69 )
 &rst
  ixpk= 6, nxpk= 0, iat=  -1,1134, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,
 igr1=1116,1117,
 &end
#
#   70 LYS+ QG      71 ASN  HN       4.630   (#SUP   7.65 )
 &rst
  ixpk= 7, nxpk= 0, iat=  -1,1134, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,
 igr1=1119,1120,
 &end
#
#   71 ASN  HA      72 PHE  HN       3.300   (#SUP   4.56 )
 &rst
  ixpk= 4, nxpk= 0, iat=1136,1148, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
#   71 ASN  QB      71 ASN  QD2      4.590   (#SUP   3.97 )
 &rst
  ixpk= 3, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28,
 igr1=1138,1139,
 igr2=1143,1144,
 &end
#
#   71 ASN  QB      72 PHE  HN       3.900   (#SUP   4.45 )
 &rst
  ixpk= 4, nxpk= 0, iat=  -1,1148, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,
 igr1=1138,1139,
 &end
#
#   71 ASN  QB      71 ASN  QD2      4.460   (#SUP   4.18 )
 &rst
  ixpk= 4, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.62, r4= 6.12,
 igr1=1138,1139,
 igr2=1143,1144,
 &end
#
#   71 ASN  QB      72 PHE  HN       3.900   (#SUP   4.45 )
 &rst
  ixpk= 4, nxpk= 0, iat=  -1,1148, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,
 igr1=1138,1139,
 &end
#
#   71 ASN  HN      71 ASN  HA       3.770   (#SUP   6.23 )
 &rst
  ixpk= 6, nxpk= 0, iat=1134,1136, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,  &end
#
#   71 ASN  HN      71 ASN  QB       3.880   (#SUP   7.09 )
 &rst
  ixpk= 7, nxpk= 0, iat=1134,  -1, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86,
 igr2=1138,1139,
 &end
#
#   71 ASN  HN      71 ASN  QD2      5.500   (#SUP   5.49 )
 &rst
  ixpk= 5, nxpk= 0, iat=1134,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1143,1144,
 &end
#
#   71 ASN  HN      72 PHE  HA       5.500   (#SUP   3.23 )
 &rst
  ixpk= 3, nxpk= 0, iat=1134,1150, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   72 PHE  HA      73 VAL  HN       3.210   (#SUP   5.68 )
 &rst
  ixpk= 5, nxpk= 0, iat=1150,1168, r1= 1.30, r2= 1.80, r3= 3.21, r4= 3.71,  &end
#
#   72 PHE  QB      73 VAL  HN       4.120   (#SUP   4.62 )
 &rst
  ixpk= 4, nxpk= 0, iat=  -1,1168, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
 igr1=1152,1153,
 &end
#
#   72 PHE  HN      72 PHE  HA       3.860   (#SUP   6.94 )
 &rst
  ixpk= 6, nxpk= 0, iat=1148,1150, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36,  &end
#
#   72 PHE  HN      72 PHE  QB       4.290   (#SUP   5.51 )
 &rst
  ixpk= 5, nxpk= 0, iat=1148,  -1, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32,
 igr2=1152,1153,
 &end
#
#   72 PHE  HN      72 PHE  QD       4.020   (#SUP   7.37 )
 &rst
  ixpk= 7, nxpk= 0, iat=1148,  -1, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01,
 igr2=1156,1164,
 &end
#
#   72 PHE  HN      72 PHE  QE       5.400   (#SUP   3.36 )
 &rst
  ixpk= 3, nxpk= 0, iat=1148,  -1, r1= 1.30, r2= 1.80, r3= 6.06, r4= 6.56,
 igr2=1158,1162,
 &end
#
#   72 PHE  HN      73 VAL  HN       5.120   (#SUP   5.25 )
 &rst
  ixpk= 5, nxpk= 0, iat=1148,1168, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,  &end
#
#   72 PHE  QD      73 VAL  HN       4.920   (#SUP   7.87 )
 &rst
  ixpk= 7, nxpk= 0, iat=  -1,1168, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02,
 igr1=1156,1164,
 &end
#
#   72 PHE  QD      74 VAL  HN       5.080   (#SUP   4.72 )
 &rst
  ixpk= 4, nxpk= 0, iat=  -1,1184, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,
 igr1=1156,1164,
 &end
#
#   73 VAL  HA      74 VAL  HN       3.160   (#SUP   4.21 )
 &rst
  ixpk= 4, nxpk= 0, iat=1170,1184, r1= 1.30, r2= 1.80, r3= 3.16, r4= 3.66,  &end
#
#   73 VAL  HB      74 VAL  HN       4.920   (#SUP   3.37 )
 &rst
  ixpk= 3, nxpk= 0, iat=1172,1184, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,  &end
#
#   73 VAL  HN      73 VAL  HA       3.990   (#SUP   5.55 )
 &rst
  ixpk= 5, nxpk= 0, iat=1168,1170, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49,  &end
#
#   73 VAL  HN      73 VAL  HB       3.520   (#SUP   2.93 )
 &rst
  ixpk= 2, nxpk= 0, iat=1168,1172, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25,  &end
#
#   73 VAL  HN      74 VAL  HA       5.500   (#SUP   3.37 )
 &rst
  ixpk= 3, nxpk= 0, iat=1168,1186, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   74 VAL  HA      75 VAL  HN       3.020   (#SUP   5.38 )
 &rst
  ixpk= 5, nxpk= 0, iat=1186,1200, r1= 1.30, r2= 1.80, r3= 3.02, r4= 3.52,  &end
#
#   74 VAL  HB      75 VAL  HN       4.840   (#SUP   3.40 )
 &rst
  ixpk= 3, nxpk= 0, iat=1188,1200, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,  &end
#
#   74 VAL  HN      74 VAL  HA       4.230   (#SUP   5.63 )
 &rst
  ixpk= 5, nxpk= 0, iat=1184,1186, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73,  &end
#
#   74 VAL  HN      74 VAL  HB       3.410   (#SUP   4.00 )
 &rst
  ixpk= 4, nxpk= 0, iat=1184,1188, r1= 1.30, r2= 1.80, r3= 3.41, r4= 3.91,  &end
#
#   75 VAL  HA      76 MET  HN       3.060   (#SUP   3.75 )
 &rst
  ixpk= 3, nxpk= 0, iat=1202,1216, r1= 1.30, r2= 1.80, r3= 3.06, r4= 3.56,  &end
#
#   75 VAL  HN      75 VAL  HA       4.100   (#SUP   4.67 )
 &rst
  ixpk= 4, nxpk= 0, iat=1200,1202, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,  &end
#
#   75 VAL  HN      75 VAL  HB       3.860   (#SUP   3.03 )
 &rst
  ixpk= 3, nxpk= 0, iat=1200,1204, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36,  &end
#
#   75 VAL  HN      76 MET  HN       4.510   (#SUP   2.78 )
 &rst
  ixpk= 2, nxpk= 0, iat=1200,1216, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01,  &end
#
#   76 MET  HA      77 VAL  HN       2.960   (#SUP   4.43 )
 &rst
  ixpk= 4, nxpk= 0, iat=1218,1233, r1= 1.30, r2= 1.80, r3= 2.96, r4= 3.46,  &end
#
#   76 MET  QG      77 VAL  HN       5.500   (#SUP   3.28 )
 &rst
  ixpk= 3, nxpk= 0, iat=  -1,1233, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1223,1224,
 &end
#
#   76 MET  HN      76 MET  HA       3.890   (#SUP   3.52 )
 &rst
  ixpk= 3, nxpk= 0, iat=1216,1218, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39,  &end
#
#   76 MET  HN      76 MET  QG       3.940   (#SUP   3.52 )
 &rst
  ixpk= 3, nxpk= 0, iat=1216,  -1, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92,
 igr2=1223,1224,
 &end
#
#   76 MET  HN      76 MET  QB       3.980   (#SUP   3.52 )
 &rst
  ixpk= 3, nxpk= 0, iat=1216,  -1, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97,
 igr2=1220,1221,
 &end
#
#   76 MET  HN      77 VAL  HN       5.150   (#SUP   4.21 )
 &rst
  ixpk= 4, nxpk= 0, iat=1216,1233, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,  &end
#
#   76 MET  QB      77 VAL  HN       4.560   (#SUP   4.43 )
 &rst
  ixpk= 4, nxpk= 0, iat=  -1,1233, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
 igr1=1220,1221,
 &end
#
#   77 VAL  HA      78 THR  HN       3.000   (#SUP   3.92 )
 &rst
  ixpk= 3, nxpk= 0, iat=1235,1249, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   77 VAL  HB      78 THR  HN       4.560   (#SUP   3.82 )
 &rst
  ixpk= 3, nxpk= 0, iat=1237,1249, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06,  &end
#
#   77 VAL  HN      77 VAL  HA       4.020   (#SUP   4.90 )
 &rst
  ixpk= 4, nxpk= 0, iat=1233,1235, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52,  &end
#
#   77 VAL  HN      77 VAL  HB       3.480   (#SUP   4.75 )
 &rst
  ixpk= 4, nxpk= 0, iat=1233,1237, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98,  &end
#
#   77 VAL  HN      78 THR  HN       5.480   (#SUP   4.59 )
 &rst
  ixpk= 4, nxpk= 0, iat=1233,1249, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98,  &end
#
#   77 VAL  HN      78 THR  MG2      5.500   (#SUP   2.38 )
 &rst
  ixpk= 2, nxpk= 0, iat=1233,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1255,1256,1257,
 &end
#
#   78 THR  HA      79 LYS+ HN       3.290   (#SUP   4.10 )
 &rst
  ixpk= 4, nxpk= 0, iat=1251,1263, r1= 1.30, r2= 1.80, r3= 3.29, r4= 3.79,  &end
#
#   78 THR  HB      79 LYS+ HN       4.210   (#SUP   4.22 )
 &rst
  ixpk= 4, nxpk= 0, iat=1253,1263, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71,  &end
#
#   78 THR  HN      78 THR  HA       3.730   (#SUP   5.35 )
 &rst
  ixpk= 5, nxpk= 0, iat=1249,1251, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23,  &end
#
#   78 THR  HN      78 THR  HB       3.880   (#SUP   4.74 )
 &rst
  ixpk= 4, nxpk= 0, iat=1249,1253, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38,  &end
#
#   78 THR  HN      78 THR  MG2      4.260   (#SUP   5.32 )
 &rst
  ixpk= 5, nxpk= 0, iat=1249,  -1, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
 igr2=1255,1256,1257,
 &end
#
#   78 THR  HN      79 LYS+ HN       4.960   (#SUP   5.28 )
 &rst
  ixpk= 5, nxpk= 0, iat=1249,1263, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,  &end
#
#   78 THR  HN      79 LYS+ QB       4.850   (#SUP   2.88 )
 &rst
  ixpk= 2, nxpk= 0, iat=1249,  -1, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94,
 igr2=1267,1268,
 &end
#
#   78 THR  MG2     79 LYS+ HN       4.460   (#SUP   4.10 )
 &rst
  ixpk= 4, nxpk= 0, iat=  -1,1263, r1= 1.30, r2= 1.80, r3= 5.36, r4= 5.86,
 igr1=1255,1256,1257,
 &end
#
#   79 LYS+ HN      79 LYS+ HA       4.690   (#SUP   5.64 )
 &rst
  ixpk= 5, nxpk= 0, iat=1263,1265, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19,  &end
#
#   79 LYS+ HN      79 LYS+ QB       3.700   (#SUP   4.98 )
 &rst
  ixpk= 4, nxpk= 0, iat=1263,  -1, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65,
 igr2=1267,1268,
 &end
#
#   79 LYS+ HN      79 LYS+ QD       4.670   (#SUP   5.06 )
 &rst
  ixpk= 5, nxpk= 0, iat=1263,  -1, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,
 igr2=1273,1274,
 &end
#
#   79 LYS+ HN      79 LYS+ QG       5.080   (#SUP   4.77 )
 &rst
  ixpk= 4, nxpk= 0, iat=1263,  -1, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,
 igr2=1270,1271,
 &end
#
#   79 LYS+ HN      80 PRO  QD       5.500   (#SUP   3.71 )
 &rst
  ixpk= 3, nxpk= 0, iat=1263,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1286,1287,
 &end
#
#   80 PRO  HA      81 LYS+ HN       3.350   (#SUP   3.18 )
 &rst
  ixpk= 3, nxpk= 0, iat=1295,1299, r1= 1.30, r2= 1.80, r3= 3.35, r4= 3.85,  &end
#
#   80 PRO  QB      81 LYS+ HN       4.770   (#SUP   3.58 )
 &rst
  ixpk= 3, nxpk= 0, iat=  -1,1299, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85,
 igr1=1292,1293,
 &end
#
#   81 LYS+ HA      82 ALA  HN       3.830   (#SUP   2.21 )
 &rst
  ixpk= 2, nxpk= 0, iat=1301,1321, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33,  &end
#
#   81 LYS+ HA      83 VAL  HN       5.500   (#SUP   1.82 )
 &rst
  ixpk= 1, nxpk= 0, iat=1301,1331, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   81 LYS+ HN      81 LYS+ HA       4.460   (#SUP   3.17 )
 &rst
  ixpk= 3, nxpk= 0, iat=1299,1301, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96,  &end
#
#   81 LYS+ HN      81 LYS+ QB       3.780   (#SUP   3.71 )
 &rst
  ixpk= 3, nxpk= 0, iat=1299,  -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr2=1303,1304,
 &end
#
#   81 LYS+ HN      81 LYS+ QD       5.500   (#SUP   2.44 )
 &rst
  ixpk= 2, nxpk= 0, iat=1299,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1309,1310,
 &end
#
#   81 LYS+ HN      81 LYS+ QG       4.880   (#SUP   3.72 )
 &rst
  ixpk= 3, nxpk= 0, iat=1299,  -1, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98,
 igr2=1306,1307,
 &end
#
#   81 LYS+ QB      82 ALA  HN       4.870   (#SUP   2.21 )
 &rst
  ixpk= 2, nxpk= 0, iat=  -1,1321, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
 igr1=1303,1304,
 &end
#
#   81 LYS+ QB      83 VAL  HN       5.500   (#SUP   1.82 )
 &rst
  ixpk= 1, nxpk= 0, iat=  -1,1331, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1303,1304,
 &end
#
#   82 ALA  HA      83 VAL  HN       3.720   (#SUP   2.36 )
 &rst
  ixpk= 2, nxpk= 0, iat=1323,1331, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22,  &end
#
#   82 ALA  HN      82 ALA  HA       5.500   (#SUP   1.82 )
 &rst
  ixpk= 1, nxpk= 0, iat=1321,1323, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   82 ALA  HN      82 ALA  MB       4.330   (#SUP   1.82 )
 &rst
  ixpk= 1, nxpk= 0, iat=1321,  -1, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,
 igr2=1325,1326,1327,
 &end
#
#   82 ALA  MB      83 VAL  HN       5.040   (#SUP   2.36 )
 &rst
  ixpk= 2, nxpk= 0, iat=  -1,1331, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
 igr1=1325,1326,1327,
 &end
#
#   83 VAL  HA      84 SER  HN       4.730   (#SUP   1.00 )
 &rst
  ixpk= 1, nxpk= 0, iat=1333,1347, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,  &end
#
#   83 VAL  HN      83 VAL  HB       4.880   (#SUP   1.22 )
 &rst
  ixpk= 1, nxpk= 0, iat=1331,1335, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,  &end
#
#   84 SER  HA      85 THR  HN       5.040   (#SUP   1.00 )
 &rst
  ixpk= 1, nxpk= 0, iat=1349,1358, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,  &end
#
#    6 VAL  HA       0 AMB  n2:11    3.145   (#SUP   3.28)
 &rst
  ixpk= 3, nxpk= 0, iat=  75,  -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr2=  79,  80,  81,  83,  84,  85,
 &end
#
#    0 AMB  n2:11   67 ILE  HA       4.540   (#SUP   1.84)
 &rst
  ixpk= 1, nxpk= 0, iat=  -1,1068, r1= 1.30, r2= 1.80, r3= 6.12, r4= 6.62,
 igr1=  79,  80,  81,  83,  84,  85,
 &end
#
#    0 AMB  n2:11   67 ILE  MG2      2.960   (#SUP   4.15)
 &rst
  ixpk= 4, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,
 igr1=  79,  80,  81,  83,  84,  85,
 igr2=1072,1073,1074,
 &end
#
#    8 LEU  HA       0 AMB  n2:12    3.830   (#SUP   5.54)
 &rst
  ixpk= 5, nxpk= 0, iat= 105,  -1, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
 igr2= 112, 113, 114, 116, 117, 118,
 &end
#
#    8 LEU  HA       0 AMB  n2:22    4.860   (#SUP   1.94)
 &rst
  ixpk= 1, nxpk= 0, iat= 105,  -1, r1= 1.30, r2= 1.80, r3= 6.55, r4= 7.05,
 igr2=1206,1207,1208,1210,1211,1212,
 &end
#
#    8 LEU  QB       0 AMB  n2:12    3.670   (#SUP   3.00)
 &rst
  ixpk= 3, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.55, r4= 6.05,
 igr1= 107, 108,
 igr2= 112, 113, 114, 116, 117, 118,
 &end
#
#    0 AMB  n2:12   15 THR  MG2      4.465   (#SUP   4.59)
 &rst
  ixpk= 4, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.60, r4= 8.10,
 igr1= 112, 113, 114, 116, 117, 118,
 igr2= 234, 235, 236,
 &end
#
#    0 AMB  n2:12   16 PHE  HZ       4.840   (#SUP   5.66)
 &rst
  ixpk= 5, nxpk= 0, iat=  -1, 254, r1= 1.30, r2= 1.80, r3= 6.52, r4= 7.02,
 igr1= 112, 113, 114, 116, 117, 118,
 &end
#
#    0 AMB  n2:12   16 PHE  QD       4.720   (#SUP   5.31)
 &rst
  ixpk= 5, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
 igr1= 112, 113, 114, 116, 117, 118,
 igr2= 250, 258,
 &end
#
#    0 AMB  n2:12   16 PHE  QE       4.355   (#SUP   5.73)
 &rst
  ixpk= 5, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.59, r4= 7.09,
 igr1= 112, 113, 114, 116, 117, 118,
 igr2= 252, 256,
 &end
#
#    0 AMB  n2:12    0 AMB  n2:22    5.025   (#SUP   1.88)
 &rst
  ixpk= 1, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr1= 112, 113, 114, 116, 117, 118,
 igr2=1206,1207,1208,1210,1211,1212,
 &end
#
#    9 LYS+ HA       0 AMB  n2:21    4.590   (#SUP   0.28)
 &rst
  ixpk= 0, nxpk= 0, iat= 124,  -1, r1= 1.30, r2= 1.80, r3= 6.19, r4= 6.69,
 igr2=1190,1191,1192,1194,1195,1196,
 &end
#
#   10 THR  HA       0 AMB  n2:21    4.760   (#SUP   1.33)
 &rst
  ixpk= 1, nxpk= 0, iat= 146,  -1, r1= 1.30, r2= 1.80, r3= 6.42, r4= 6.92,
 igr2=1190,1191,1192,1194,1195,1196,
 &end
#
#   10 THR  HA       0 AMB  n2:22    3.965   (#SUP   2.25)
 &rst
  ixpk= 2, nxpk= 0, iat= 146,  -1, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
 igr2=1206,1207,1208,1210,1211,1212,
 &end
#
#   11 LEU  HA       0 AMB  n2:13    4.750   (#SUP   3.07)
 &rst
  ixpk= 3, nxpk= 0, iat= 160,  -1, r1= 1.30, r2= 1.80, r3= 6.40, r4= 6.90,
 igr2= 167, 168, 169, 171, 172, 173,
 &end
#
#    0 AMB  n2:13   76 MET  QB       4.645   (#SUP   1.50)
 &rst
  ixpk= 1, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.03, r4= 7.53,
 igr1= 167, 168, 169, 171, 172, 173,
 igr2=1220,1221,
 &end
#
#   16 PHE  HZ       0 AMB  n2:22    4.595   (#SUP   1.95)
 &rst
  ixpk= 1, nxpk= 0, iat= 254,  -1, r1= 1.30, r2= 1.80, r3= 6.19, r4= 6.69,
 igr2=1206,1207,1208,1210,1211,1212,
 &end
#
#   16 PHE  QE       0 AMB  n2:22    4.420   (#SUP   2.00)
 &rst
  ixpk= 2, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.69, r4= 7.19,
 igr1= 252, 256,
 igr2=1206,1207,1208,1210,1211,1212,
 &end
#
#   26 VAL  HA       0 AMB  n2:14    3.425   (#SUP   2.96)
 &rst
  ixpk= 2, nxpk= 0, iat= 406,  -1, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
 igr2= 410, 411, 412, 414, 415, 416,
 &end
#
#    0 AMB  n2:14   27 LYS+ HA       4.560   (#SUP   2.46)
 &rst
  ixpk= 2, nxpk= 0, iat=  -1, 422, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65,
 igr1= 410, 411, 412, 414, 415, 416,
 &end
#
#    0 AMB  n2:14   58 ASP- HA       3.330   (#SUP   4.79)
 &rst
  ixpk= 4, nxpk= 0, iat=  -1, 921, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 410, 411, 412, 414, 415, 416,
 &end
#
#    0 AMB  n2:14   62 LEU  HA       4.280   (#SUP   0.75)
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 969, r1= 1.30, r2= 1.80, r3= 5.77, r4= 6.27,
 igr1= 410, 411, 412, 414, 415, 416,
 &end
#
#    0 AMB  n2:14   65 TYR  QE       3.205   (#SUP   2.00)
 &rst
  ixpk= 2, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
 igr1= 410, 411, 412, 414, 415, 416,
 igr2=1033,1038,
 &end
#
#   27 LYS+ HA       0 AMB  n2:16    4.375   (#SUP   1.04)
 &rst
  ixpk= 1, nxpk= 0, iat= 422,  -1, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,
 igr2= 703, 704, 705, 707, 708, 709,
 &end
#
#   29 LEU  HA       0 AMB  n2:15    3.290   (#SUP   4.41)
 &rst
  ixpk= 4, nxpk= 0, iat= 454,  -1, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93,
 igr2= 461, 462, 463, 465, 466, 467,
 &end
#
#   42 PHE  HZ       0 AMB  n2:22    5.010   (#SUP   1.50)
 &rst
  ixpk= 1, nxpk= 0, iat= 675,  -1, r1= 1.30, r2= 1.80, r3= 6.75, r4= 7.25,
 igr2=1206,1207,1208,1210,1211,1212,
 &end
#
#   42 PHE  QD       0 AMB  n2:22    3.960   (#SUP   2.96)
 &rst
  ixpk= 2, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
 igr1= 671, 679,
 igr2=1206,1207,1208,1210,1211,1212,
 &end
#
#   42 PHE  QD       0 AMB  n2:23    3.585   (#SUP   0.75)
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,
 igr1= 671, 679,
 igr2=1239,1240,1241,1243,1244,1245,
 &end
#
#   42 PHE  QE       0 AMB  n2:22    3.670   (#SUP   2.54)
 &rst
  ixpk= 2, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.55, r4= 6.05,
 igr1= 673, 677,
 igr2=1206,1207,1208,1210,1211,1212,
 &end
#
#   43 PRO  HA       0 AMB  n2:16    4.860   (#SUP   3.64)
 &rst
  ixpk= 3, nxpk= 0, iat= 693,  -1, r1= 1.30, r2= 1.80, r3= 6.55, r4= 7.05,
 igr2= 703, 704, 705, 707, 708, 709,
 &end
#
#   44 VAL  HA       0 AMB  n2:16    3.660   (#SUP   3.44)
 &rst
  ixpk= 3, nxpk= 0, iat= 699,  -1, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43,
 igr2= 703, 704, 705, 707, 708, 709,
 &end
#
#    0 AMB  n2:16   45 ALA  HA       4.230   (#SUP   2.60)
 &rst
  ixpk= 2, nxpk= 0, iat=  -1, 715, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,
 igr1= 703, 704, 705, 707, 708, 709,
 &end
#
#   46 GLY  QA       0 AMB  n2:23    5.085   (#SUP   3.19)
 &rst
  ixpk= 3, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.69, r4= 8.19,
 igr1= 725, 726,
 igr2=1239,1240,1241,1243,1244,1245,
 &end
#
#   47 GLN  HA       0 AMB  n2:23    3.490   (#SUP   5.51)
 &rst
  ixpk= 5, nxpk= 0, iat= 732,  -1, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,
 igr2=1239,1240,1241,1243,1244,1245,
 &end
#
#   49 LEU  HA       0 AMB  n2:17    4.015   (#SUP   2.38)
 &rst
  ixpk= 2, nxpk= 0, iat= 771,  -1, r1= 1.30, r2= 1.80, r3= 5.41, r4= 5.91,
 igr2= 778, 779, 780, 782, 783, 784,
 &end
#
#   49 LEU  HA       0 AMB  n2:18    5.075   (#SUP   2.59)
 &rst
  ixpk= 2, nxpk= 0, iat= 771,  -1, r1= 1.30, r2= 1.80, r3= 6.84, r4= 7.34,
 igr2= 895, 896, 897, 899, 900, 901,
 &end
#
#   49 LEU  HA       0 AMB  n2:20    3.800   (#SUP   0.68)
 &rst
  ixpk= 0, nxpk= 0, iat= 771,  -1, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
 igr2=1174,1175,1176,1178,1179,1180,
 &end
#
#   49 LEU  HA       0 AMB  n2:22    4.680   (#SUP   3.61)
 &rst
  ixpk= 3, nxpk= 0, iat= 771,  -1, r1= 1.30, r2= 1.80, r3= 6.31, r4= 6.81,
 igr2=1206,1207,1208,1210,1211,1212,
 &end
#
#   49 LEU  QB       0 AMB  n2:18    3.785   (#SUP   2.58)
 &rst
  ixpk= 2, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.73, r4= 6.23,
 igr1= 773, 774,
 igr2= 895, 896, 897, 899, 900, 901,
 &end
#
#    0 AMB  n2:17   75 VAL  HA       3.490   (#SUP   1.46)
 &rst
  ixpk= 1, nxpk= 0, iat=  -1,1202, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,
 igr1= 778, 779, 780, 782, 783, 784,
 &end
#
#   50 ILE  HA       0 AMB  n2:18    4.695   (#SUP   6.12)
 &rst
  ixpk= 6, nxpk= 0, iat= 790,  -1, r1= 1.30, r2= 1.80, r3= 6.33, r4= 6.83,
 igr2= 895, 896, 897, 899, 900, 901,
 &end
#
#   51 TYR  HA       0 AMB  n2:18    5.350   (#SUP   2.07)
 &rst
  ixpk= 2, nxpk= 0, iat= 809,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr2= 895, 896, 897, 899, 900, 901,
 &end
#
#   51 TYR  HA       0 AMB  n2:20    3.935   (#SUP   4.88)
 &rst
  ixpk= 4, nxpk= 0, iat= 809,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr2=1174,1175,1176,1178,1179,1180,
 &end
#
#   51 TYR  QB       0 AMB  n2:18    4.005   (#SUP   3.65)
 &rst
  ixpk= 3, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.06, r4= 6.56,
 igr1= 811, 812,
 igr2= 895, 896, 897, 899, 900, 901,
 &end
#
#   51 TYR  QB       0 AMB  n2:18    3.960   (#SUP   3.65)
 &rst
  ixpk= 3, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
 igr1= 811, 812,
 igr2= 895, 896, 897, 899, 900, 901,
 &end
#
#   51 TYR  QB       0 AMB  n2:20    4.140   (#SUP   3.69)
 &rst
  ixpk= 3, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.26, r4= 6.76,
 igr1= 811, 812,
 igr2=1174,1175,1176,1178,1179,1180,
 &end
#
#   51 TYR  QD       0 AMB  n2:20    3.170   (#SUP   6.19)
 &rst
  ixpk= 6, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1= 815, 824,
 igr2=1174,1175,1176,1178,1179,1180,
 &end
#
#   51 TYR  QE       0 AMB  n2:20    3.460   (#SUP   4.84)
 &rst
  ixpk= 4, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,
 igr1= 817, 822,
 igr2=1174,1175,1176,1178,1179,1180,
 &end
#
#   54 LYS+ QB       0 AMB  n2:18    4.385   (#SUP   4.01)
 &rst
  ixpk= 4, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.63, r4= 7.13,
 igr1= 849, 850,
 igr2= 895, 896, 897, 899, 900, 901,
 &end
#
#   54 LYS+ QG       0 AMB  n2:18    4.185   (#SUP   3.01)
 &rst
  ixpk= 3, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.33, r4= 6.83,
 igr1= 852, 853,
 igr2= 895, 896, 897, 899, 900, 901,
 &end
#
#   55 ILE  HA       0 AMB  n2:18    4.965   (#SUP   5.55)
 &rst
  ixpk= 5, nxpk= 0, iat= 869,  -1, r1= 1.30, r2= 1.80, r3= 6.69, r4= 7.19,
 igr2= 895, 896, 897, 899, 900, 901,
 &end
#
#   55 ILE  MG2      0 AMB  n2:18    5.335   (#SUP   6.45)
 &rst
  ixpk= 6, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.64, r4= 9.14,
 igr1= 873, 874, 875,
 igr2= 895, 896, 897, 899, 900, 901,
 &end
#
#   56 LEU  HA       0 AMB  n2:18    4.335   (#SUP   4.41)
 &rst
  ixpk= 4, nxpk= 0, iat= 888,  -1, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
 igr2= 895, 896, 897, 899, 900, 901,
 &end
#
#   56 LEU  QB       0 AMB  n2:18    4.480   (#SUP   5.02)
 &rst
  ixpk= 5, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.78, r4= 7.28,
 igr1= 890, 891,
 igr2= 895, 896, 897, 899, 900, 901,
 &end
#
#    0 AMB  n2:18   65 TYR  QB       4.800   (#SUP   3.00)
 &rst
  ixpk= 3, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.26, r4= 7.76,
 igr1= 895, 896, 897, 899, 900, 901,
 igr2=1027,1028,
 &end
#
#    0 AMB  n2:18   65 TYR  QD       4.175   (#SUP   4.19)
 &rst
  ixpk= 4, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.32, r4= 6.82,
 igr1= 895, 896, 897, 899, 900, 901,
 igr2=1031,1040,
 &end
#
#    0 AMB  n2:18   65 TYR  QE       4.635   (#SUP   4.75)
 &rst
  ixpk= 4, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.01, r4= 7.51,
 igr1= 895, 896, 897, 899, 900, 901,
 igr2=1033,1038,
 &end
#
#    0 AMB  n2:18   65 TYR  QD       4.175   (#SUP   4.19)
 &rst
  ixpk= 4, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.32, r4= 6.82,
 igr1= 895, 896, 897, 899, 900, 901,
 igr2=1031,1040,
 &end
#
#    0 AMB  n2:18   65 TYR  QE       4.635   (#SUP   4.75)
 &rst
  ixpk= 4, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.01, r4= 7.51,
 igr1= 895, 896, 897, 899, 900, 901,
 igr2=1033,1038,
 &end
#
#   62 LEU  HA       0 AMB  n2:19    4.650   (#SUP   4.74)
 &rst
  ixpk= 4, nxpk= 0, iat= 969,  -1, r1= 1.30, r2= 1.80, r3= 6.27, r4= 6.77,
 igr2= 976, 977, 978, 980, 981, 982,
 &end
#
#    0 AMB  n2:19   65 TYR  QE       4.165   (#SUP   3.29)
 &rst
  ixpk= 3, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 976, 977, 978, 980, 981, 982,
 igr2=1033,1038,
 &end
#
#   67 ILE  QD1      0 AMB  n2:20    4.410   (#SUP   0.89)
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
 igr1=1079,1080,1081,
 igr2=1174,1175,1176,1178,1179,1180,
 &end
#
#   72 PHE  HA       0 AMB  n2:20    4.455   (#SUP   3.51)
 &rst
  ixpk= 3, nxpk= 0, iat=1150,  -1, r1= 1.30, r2= 1.80, r3= 6.01, r4= 6.51,
 igr2=1174,1175,1176,1178,1179,1180,
 &end
#
#   72 PHE  QD       0 AMB  n2:21    4.725   (#SUP   4.53)
 &rst
  ixpk= 4, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.15, r4= 7.65,
 igr1=1156,1164,
 igr2=1190,1191,1192,1194,1195,1196,
 &end
#
#   72 PHE  QE       0 AMB  n2:21    4.515   (#SUP   2.00)
 &rst
  ixpk= 2, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.83, r4= 7.33,
 igr1=1158,1162,
 igr2=1190,1191,1192,1194,1195,1196,
 &end
#
#   73 VAL  HA       0 AMB  n2:20    3.060   (#SUP   3.69)
 &rst
  ixpk= 3, nxpk= 0, iat=1170,  -1, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62,
 igr2=1174,1175,1176,1178,1179,1180,
 &end
#
#    0 AMB  n2:20   74 VAL  HA       5.270   (#SUP   4.40)
 &rst
  ixpk= 4, nxpk= 0, iat=  -1,1186, r1= 1.30, r2= 1.80, r3= 7.10, r4= 7.60,
 igr1=1174,1175,1176,1178,1179,1180,
 &end
#
#    0 AMB  n2:20   75 VAL  HA       4.615   (#SUP   1.78)
 &rst
  ixpk= 1, nxpk= 0, iat=  -1,1202, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
 igr1=1174,1175,1176,1178,1179,1180,
 &end
#
#   74 VAL  HA       0 AMB  n2:21    3.510   (#SUP   4.42)
 &rst
  ixpk= 4, nxpk= 0, iat=1186,  -1, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,
 igr2=1190,1191,1192,1194,1195,1196,
 &end
#
#   74 VAL  HA       0 AMB  n2:22    4.405   (#SUP   2.92)
 &rst
  ixpk= 2, nxpk= 0, iat=1186,  -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
 igr2=1206,1207,1208,1210,1211,1212,
 &end
#
#    0 AMB  n2:21   75 VAL  HA       4.740   (#SUP   2.73)
 &rst
  ixpk= 2, nxpk= 0, iat=  -1,1202, r1= 1.30, r2= 1.80, r3= 6.39, r4= 6.89,
 igr1=1190,1191,1192,1194,1195,1196,
 &end
#
#   75 VAL  HA       0 AMB  n2:22    3.745   (#SUP   3.91)
 &rst
  ixpk= 3, nxpk= 0, iat=1202,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1206,1207,1208,1210,1211,1212,
 &end
#
#   77 VAL  HA       0 AMB  n2:23    3.090   (#SUP   3.29)
 &rst
  ixpk= 3, nxpk= 0, iat=1235,  -1, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67,
 igr2=1239,1240,1241,1243,1244,1245,
 &end
#
#    0 AMB  n2:23   78 THR  HA       3.500   (#SUP   2.20)
 &rst
  ixpk= 2, nxpk= 0, iat=  -1,1251, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1=1239,1240,1241,1243,1244,1245,
 &end
#
#    5 GLN  HN       0 AMB  n2:11    4.960   (#SUP   2.93)
 &rst
  ixpk= 2, nxpk= 0, iat=  56,  -1, r1= 1.30, r2= 1.80, r3= 6.69, r4= 7.19,
 igr2=  79,  80,  81,  83,  84,  85,
 &end
#
#    6 VAL  HN       0 AMB  n2:11    3.270   (#SUP   3.64)
 &rst
  ixpk= 3, nxpk= 0, iat=  73,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr2=  79,  80,  81,  83,  84,  85,
 &end
#
#    0 AMB  n2:11    7 THR  HN       3.410   (#SUP   3.15)
 &rst
  ixpk= 3, nxpk= 0, iat=  -1,  89, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
 igr1=  79,  80,  81,  83,  84,  85,
 &end
#
#    0 AMB  n2:11   67 ILE  HN       5.010   (#SUP   1.77)
 &rst
  ixpk= 1, nxpk= 0, iat=  -1,1066, r1= 1.30, r2= 1.80, r3= 6.90, r4= 7.40,
 igr1=  79,  80,  81,  83,  84,  85,
 &end
#
#    0 AMB  n2:11   68 ASP- HN       5.500   (#SUP   2.48)
 &rst
  ixpk= 2, nxpk= 0, iat=  -1,1085, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=  79,  80,  81,  83,  84,  85,
 &end
#
#    8 LEU  HN       0 AMB  n2:12    3.700   (#SUP   5.75)
 &rst
  ixpk= 5, nxpk= 0, iat= 103,  -1, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49,
 igr2= 112, 113, 114, 116, 117, 118,
 &end
#
#    0 AMB  n2:12    9 LYS+ HN       4.530   (#SUP   4.44)
 &rst
  ixpk= 4, nxpk= 0, iat=  -1, 122, r1= 1.30, r2= 1.80, r3= 6.11, r4= 6.61,
 igr1= 112, 113, 114, 116, 117, 118,
 &end
#
#    0 AMB  n2:12   16 PHE  HN       4.510   (#SUP   7.07)
 &rst
  ixpk= 7, nxpk= 0, iat=  -1, 242, r1= 1.30, r2= 1.80, r3= 6.40, r4= 6.90,
 igr1= 112, 113, 114, 116, 117, 118,
 &end
#
#    9 LYS+ HN       0 AMB  n2:21    5.040   (#SUP   1.22)
 &rst
  ixpk= 1, nxpk= 0, iat= 122,  -1, r1= 1.30, r2= 1.80, r3= 6.79, r4= 7.29,
 igr2=1190,1191,1192,1194,1195,1196,
 &end
#
#   11 LEU  HN       0 AMB  n2:13    4.550   (#SUP   5.34)
 &rst
  ixpk= 5, nxpk= 0, iat= 158,  -1, r1= 1.30, r2= 1.80, r3= 6.13, r4= 6.63,
 igr2= 167, 168, 169, 171, 172, 173,
 &end
#
#    0 AMB  n2:13   77 VAL  HN       5.220   (#SUP   2.00)
 &rst
  ixpk= 2, nxpk= 0, iat=  -1,1233, r1= 1.30, r2= 1.80, r3= 7.04, r4= 7.54,
 igr1= 167, 168, 169, 171, 172, 173,
 &end
#
#    0 AMB  n2:13   13 GLN  HN       5.500   (#SUP   3.11)
 &rst
  ixpk= 3, nxpk= 0, iat=  -1, 194, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 167, 168, 169, 171, 172, 173,
 &end
#
#    0 AMB  n2:13   76 MET  HN       4.690   (#SUP   2.66)
 &rst
  ixpk= 2, nxpk= 0, iat=  -1,1216, r1= 1.30, r2= 1.80, r3= 6.32, r4= 6.82,
 igr1= 167, 168, 169, 171, 172, 173,
 &end
#
#    0 AMB  n2:13   77 VAL  HN       5.220   (#SUP   2.00)
 &rst
  ixpk= 2, nxpk= 0, iat=  -1,1233, r1= 1.30, r2= 1.80, r3= 7.04, r4= 7.54,
 igr1= 167, 168, 169, 171, 172, 173,
 &end
#
#   24 GLU- HN       0 AMB  n2:19    4.390   (#SUP   3.18)
 &rst
  ixpk= 3, nxpk= 0, iat= 375,  -1, r1= 1.30, r2= 1.80, r3= 5.92, r4= 6.42,
 igr2= 976, 977, 978, 980, 981, 982,
 &end
#
#   25 THR  HN       0 AMB  n2:19    4.700   (#SUP   1.50)
 &rst
  ixpk= 1, nxpk= 0, iat= 390,  -1, r1= 1.30, r2= 1.80, r3= 6.34, r4= 6.84,
 igr2= 976, 977, 978, 980, 981, 982,
 &end
#
#   26 VAL  HN       0 AMB  n2:14    3.840   (#SUP   5.05)
 &rst
  ixpk= 5, nxpk= 0, iat= 404,  -1, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68,
 igr2= 410, 411, 412, 414, 415, 416,
 &end
#
#    0 AMB  n2:14   27 LYS+ HN       4.380   (#SUP   5.71)
 &rst
  ixpk= 5, nxpk= 0, iat=  -1, 420, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,
 igr1= 410, 411, 412, 414, 415, 416,
 &end
#
#    0 AMB  n2:14   57 ASN  HN       4.810   (#SUP   3.17)
 &rst
  ixpk= 3, nxpk= 0, iat=  -1, 905, r1= 1.30, r2= 1.80, r3= 6.48, r4= 6.98,
 igr1= 410, 411, 412, 414, 415, 416,
 &end
#
#    0 AMB  n2:14   58 ASP- HN       5.090   (#SUP   2.27)
 &rst
  ixpk= 2, nxpk= 0, iat=  -1, 919, r1= 1.30, r2= 1.80, r3= 6.86, r4= 7.36,
 igr1= 410, 411, 412, 414, 415, 416,
 &end
#
#    0 AMB  n2:14   59 ASP- HN       5.500   (#SUP   4.01)
 &rst
  ixpk= 4, nxpk= 0, iat=  -1, 931, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 410, 411, 412, 414, 415, 416,
 &end
#
#    0 AMB  n2:14   60 THR  HN       5.010   (#SUP   4.13)
 &rst
  ixpk= 4, nxpk= 0, iat=  -1, 943, r1= 1.30, r2= 1.80, r3= 6.75, r4= 7.25,
 igr1= 410, 411, 412, 414, 415, 416,
 &end
#
#    0 AMB  n2:14   27 LYS+ HN       4.380   (#SUP   5.71)
 &rst
  ixpk= 5, nxpk= 0, iat=  -1, 420, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,
 igr1= 410, 411, 412, 414, 415, 416,
 &end
#
#    0 AMB  n2:14   57 ASN  HN       4.810   (#SUP   3.17)
 &rst
  ixpk= 3, nxpk= 0, iat=  -1, 905, r1= 1.30, r2= 1.80, r3= 6.48, r4= 6.98,
 igr1= 410, 411, 412, 414, 415, 416,
 &end
#
#    0 AMB  n2:14   58 ASP- HN       5.090   (#SUP   2.27)
 &rst
  ixpk= 2, nxpk= 0, iat=  -1, 919, r1= 1.30, r2= 1.80, r3= 6.86, r4= 7.36,
 igr1= 410, 411, 412, 414, 415, 416,
 &end
#
#   28 ALA  HN       0 AMB  n2:19    4.340   (#SUP   1.95)
 &rst
  ixpk= 1, nxpk= 0, iat= 442,  -1, r1= 1.30, r2= 1.80, r3= 5.85, r4= 6.35,
 igr2= 976, 977, 978, 980, 981, 982,
 &end
#
#   29 LEU  HN       0 AMB  n2:15    4.300   (#SUP   5.09)
 &rst
  ixpk= 5, nxpk= 0, iat= 452,  -1, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
 igr2= 461, 462, 463, 465, 466, 467,
 &end
#
#   42 PHE  HN       0 AMB  n2:23    4.800   (#SUP   0.75)
 &rst
  ixpk= 0, nxpk= 0, iat= 663,  -1, r1= 1.30, r2= 1.80, r3= 6.47, r4= 6.97,
 igr2=1239,1240,1241,1243,1244,1245,
 &end
#
#   44 VAL  HN       0 AMB  n2:16    4.260   (#SUP   5.15)
 &rst
  ixpk= 5, nxpk= 0, iat= 697,  -1, r1= 1.30, r2= 1.80, r3= 5.74, r4= 6.24,
 igr2= 703, 704, 705, 707, 708, 709,
 &end
#
#    0 AMB  n2:16   45 ALA  HN       4.430   (#SUP   5.57)
 &rst
  ixpk= 5, nxpk= 0, iat=  -1, 713, r1= 1.30, r2= 1.80, r3= 5.97, r4= 6.47,
 igr1= 703, 704, 705, 707, 708, 709,
 &end
#
#    0 AMB  n2:16   46 GLY  HN       5.090   (#SUP   6.45)
 &rst
  ixpk= 6, nxpk= 0, iat=  -1, 723, r1= 1.30, r2= 1.80, r3= 6.86, r4= 7.36,
 igr1= 703, 704, 705, 707, 708, 709,
 &end
#
#    0 AMB  n2:16   47 GLN  HN       4.480   (#SUP   4.15)
 &rst
  ixpk= 4, nxpk= 0, iat=  -1, 730, r1= 1.30, r2= 1.80, r3= 6.04, r4= 6.54,
 igr1= 703, 704, 705, 707, 708, 709,
 &end
#
#    0 AMB  n2:16   45 ALA  HN       4.430   (#SUP   5.57)
 &rst
  ixpk= 5, nxpk= 0, iat=  -1, 713, r1= 1.30, r2= 1.80, r3= 5.97, r4= 6.47,
 igr1= 703, 704, 705, 707, 708, 709,
 &end
#
#   46 GLY  HN       0 AMB  n2:23    4.940   (#SUP   2.12)
 &rst
  ixpk= 2, nxpk= 0, iat= 723,  -1, r1= 1.30, r2= 1.80, r3= 6.66, r4= 7.16,
 igr2=1239,1240,1241,1243,1244,1245,
 &end
#
#   47 GLN  HN       0 AMB  n2:23    4.530   (#SUP   4.63)
 &rst
  ixpk= 4, nxpk= 0, iat= 730,  -1, r1= 1.30, r2= 1.80, r3= 6.11, r4= 6.61,
 igr2=1239,1240,1241,1243,1244,1245,
 &end
#
#   48 LYS+ HN       0 AMB  n2:23    4.130   (#SUP   3.17)
 &rst
  ixpk= 3, nxpk= 0, iat= 747,  -1, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07,
 igr2=1239,1240,1241,1243,1244,1245,
 &end
#
#   49 LEU  HN       0 AMB  n2:18    5.300   (#SUP   2.58)
 &rst
  ixpk= 2, nxpk= 0, iat= 769,  -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
 igr2= 895, 896, 897, 899, 900, 901,
 &end
#
#   50 ILE  HN       0 AMB  n2:18    5.070   (#SUP   3.90)
 &rst
  ixpk= 3, nxpk= 0, iat= 788,  -1, r1= 1.30, r2= 1.80, r3= 6.83, r4= 7.33,
 igr2= 895, 896, 897, 899, 900, 901,
 &end
#
#   51 TYR  HN       0 AMB  n2:18    4.710   (#SUP   5.34)
 &rst
  ixpk= 5, nxpk= 0, iat= 807,  -1, r1= 1.30, r2= 1.80, r3= 6.35, r4= 6.85,
 igr2= 895, 896, 897, 899, 900, 901,
 &end
#
#   54 LYS+ HN       0 AMB  n2:18    5.470   (#SUP   3.74)
 &rst
  ixpk= 3, nxpk= 0, iat= 845,  -1, r1= 1.30, r2= 1.80, r3= 7.37, r4= 7.87,
 igr2= 895, 896, 897, 899, 900, 901,
 &end
#
#   55 ILE  HN       0 AMB  n2:18    5.360   (#SUP   6.78)
 &rst
  ixpk= 6, nxpk= 0, iat= 867,  -1, r1= 1.30, r2= 1.80, r3= 7.23, r4= 7.73,
 igr2= 895, 896, 897, 899, 900, 901,
 &end
#
#   56 LEU  HN       0 AMB  n2:18    4.130   (#SUP   6.49)
 &rst
  ixpk= 6, nxpk= 0, iat= 886,  -1, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07,
 igr2= 895, 896, 897, 899, 900, 901,
 &end
#
#    0 AMB  n2:18   57 ASN  HN       5.220   (#SUP   5.21)
 &rst
  ixpk= 5, nxpk= 0, iat=  -1, 905, r1= 1.30, r2= 1.80, r3= 7.04, r4= 7.54,
 igr1= 895, 896, 897, 899, 900, 901,
 &end
#
#    0 AMB  n2:18   65 TYR  HN       5.500   (#SUP   3.00)
 &rst
  ixpk= 3, nxpk= 0, iat=  -1,1023, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 895, 896, 897, 899, 900, 901,
 &end
#
#    0 AMB  n2:18   57 ASN  HN       5.220   (#SUP   5.21)
 &rst
  ixpk= 5, nxpk= 0, iat=  -1, 905, r1= 1.30, r2= 1.80, r3= 7.04, r4= 7.54,
 igr1= 895, 896, 897, 899, 900, 901,
 &end
#
#   62 LEU  HN       0 AMB  n2:19    3.780   (#SUP   5.88)
 &rst
  ixpk= 5, nxpk= 0, iat= 967,  -1, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
 igr2= 976, 977, 978, 980, 981, 982,
 &end
#
#    0 AMB  n2:19   63 LYS+ HN       4.530   (#SUP   6.40)
 &rst
  ixpk= 6, nxpk= 0, iat=  -1, 986, r1= 1.30, r2= 1.80, r3= 6.11, r4= 6.61,
 igr1= 976, 977, 978, 980, 981, 982,
 &end
#
#    0 AMB  n2:19   64 GLU- HN       5.500   (#SUP   7.46)
 &rst
  ixpk= 7, nxpk= 0, iat=  -1,1008, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 976, 977, 978, 980, 981, 982,
 &end
#
#    0 AMB  n2:19   65 TYR  HN       5.390   (#SUP   5.48)
 &rst
  ixpk= 5, nxpk= 0, iat=  -1,1023, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr1= 976, 977, 978, 980, 981, 982,
 &end
#
#   72 PHE  HN       0 AMB  n2:20    5.470   (#SUP   2.94)
 &rst
  ixpk= 2, nxpk= 0, iat=1148,  -1, r1= 1.30, r2= 1.80, r3= 7.37, r4= 7.87,
 igr2=1174,1175,1176,1178,1179,1180,
 &end
#
#    0 AMB  n2:20   74 VAL  HN       3.410   (#SUP   4.87)
 &rst
  ixpk= 4, nxpk= 0, iat=  -1,1184, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
 igr1=1174,1175,1176,1178,1179,1180,
 &end
#
#    0 AMB  n2:20   75 VAL  HN       4.520   (#SUP   2.90)
 &rst
  ixpk= 2, nxpk= 0, iat=  -1,1200, r1= 1.30, r2= 1.80, r3= 6.09, r4= 6.59,
 igr1=1174,1175,1176,1178,1179,1180,
 &end
#
#   74 VAL  HN       0 AMB  n2:21    4.050   (#SUP   4.00)
 &rst
  ixpk= 4, nxpk= 0, iat=1184,  -1, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96,
 igr2=1190,1191,1192,1194,1195,1196,
 &end
#
#    0 AMB  n2:21   75 VAL  HN       4.340   (#SUP   3.40)
 &rst
  ixpk= 3, nxpk= 0, iat=  -1,1200, r1= 1.30, r2= 1.80, r3= 5.85, r4= 6.35,
 igr1=1190,1191,1192,1194,1195,1196,
 &end
#
#   75 VAL  HN       0 AMB  n2:22    3.450   (#SUP   3.81)
 &rst
  ixpk= 3, nxpk= 0, iat=1200,  -1, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,
 igr2=1206,1207,1208,1210,1211,1212,
 &end
#
#   77 VAL  HN       0 AMB  n2:23    3.620   (#SUP   5.13)
 &rst
  ixpk= 5, nxpk= 0, iat=1233,  -1, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,
 igr2=1239,1240,1241,1243,1244,1245,
 &end
#
#    0 AMB  n2:23   78 THR  HN       3.510   (#SUP   4.52)
 &rst
  ixpk= 4, nxpk= 0, iat=  -1,1249, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,
 igr1=1239,1240,1241,1243,1244,1245,
 &end
#
#   83 VAL  HN       0 AMB  n2:24    5.500   (#SUP   1.22)
 &rst
  ixpk= 1, nxpk= 0, iat=1331,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2=1337,1338,1339,1341,1342,1343,
 &end



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