NMR Restraints Grid

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

image mrblock_id pdb_id bmrb_id cing stage position program type subtype subsubtype
604031 5jyh 30089 cing 1-original 4 AMBER distance NOE simple


#  5 PHE   HB2   35   CYX   HB2   3.66 
 &rst
  ixpk= 0, nxpk= 0, iat=  71, 512, r1= 1.30, r2= 1.80, r3= 3.66, r4= 4.16, 
      rk2=20.0, rk3=20.0, ir6=1, ialtd=0,
 &end
#
# 21 CYX   HA    23   ALA   QB    4.56 
 &rst
  ixpk= 0, nxpk= 0, iat= 308,  -1, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98,
 igr2= 342, 343, 344,
 &end
#
# 21 CYX   HA    26   LYS   QD    5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 308,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 385, 386,
 &end
#
# 26 LYS   QD    39   VAL   HA    4.46 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 559, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51,
 igr1= 385, 386,
 &end
#
#  8 PHE   HE    9    ALA   HN    4.94 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 124, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,
 igr1= 114, 118,
 &end
#
#  4 GLN   HE22  13   VAL   QG2   4.93 
 &rst
  ixpk= 0, nxpk= 0, iat=  63,  -1, r1= 1.30, r2= 1.80, r3= 5.92, r4= 6.42,
 igr2= 186, 187, 188,
 &end
#
#  7 CYX   HA    13   VAL   HN    4.51 
 &rst
  ixpk= 0, nxpk= 0, iat=  96, 176, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01,  &end
#
# 11 VAL   HA    30   CYX   QB    4.16 
 &rst
  ixpk= 0, nxpk= 0, iat= 150,  -1, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,
 igr2= 442, 443,
 &end
#
# 11 VAL   QG1   13   VAL   QG2   3.12 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,
 igr1= 154, 155, 156,
 igr2= 186, 187, 188,
 &end
#
# 11 VAL   QG1   13   VAL   HA    3.27 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 178, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 154, 155, 156,
 &end
#
# 32 GLY   HA3   33   THR   QG2   4.04 
 &rst
  ixpk= 0, nxpk= 0, iat= 468,  -1, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
 igr2= 478, 479, 480,
 &end
#
# 26 LYS   QB    37   CYX   HB2   3.82 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 544, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79,
 igr1= 379, 380,
 &end
#
# 26 LYS   QD    37   CYX   HB2   3.75 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 544, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71,
 igr1= 385, 386,
 &end
#
# 37 CYX   HB2   38   GLY   HN    4.57 
 &rst
  ixpk= 0, nxpk= 0, iat= 544, 550, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07,  &end
#
# 26 LYS   QB    37   CYX   HA    4.27 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 542, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,
 igr1= 379, 380,
 &end
#
# 26 LYS   QD    37   CYX   HA    4.63 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 542, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,
 igr1= 385, 386,
 &end
#
# 36 LYS   HA    37   CYX   HA    4.83 
 &rst
  ixpk= 0, nxpk= 0, iat= 520, 542, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,  &end
#
# 28 GLY   HA2   37   CYX   HA    3.42 
 &rst
  ixpk= 0, nxpk= 0, iat= 414, 542, r1= 1.30, r2= 1.80, r3= 3.42, r4= 3.92,  &end
#
# 28 GLY   HA3   37   CYX   HA    4.15 
 &rst
  ixpk= 0, nxpk= 0, iat= 415, 542, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65,  &end
#
# 29 ILE   HN    37   CYX   HA    3.97 
 &rst
  ixpk= 0, nxpk= 0, iat= 419, 542, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47,  &end
#
# 21 CYX   HB3   37   CYX   HA    4.09 
 &rst
  ixpk= 0, nxpk= 0, iat= 311, 542, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59,  &end
#
# 37 CYX   HA    38   GLY   HA3   4.60 
 &rst
  ixpk= 0, nxpk= 0, iat= 542, 553, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,  &end
#
# 29 ILE   HA    30   CYX   HN    2.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 421, 438, r1= 1.30, r2= 1.80, r3= 2.50, r4= 3.00,  &end
#
# 29 ILE   QD1   30   CYX   HN    3.20 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 438, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34,
 igr1= 432, 433, 434,
 &end
#
# 29 ILE   HN    37   CYX   HN    5.30 
 &rst
  ixpk= 0, nxpk= 0, iat= 419, 540, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,  &end
#
# 44 LEU   QB    44   LEU   HG    2.40 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 645, r1= 1.30, r2= 1.80, r3= 2.69, r4= 3.19,
 igr1= 642, 643,
 &end
#
# 26 LYS   QB    37   CYX   HB3   3.69 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 545, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64,
 igr1= 379, 380,
 &end
#
#  7 CYX   HA    12   ASP   HA    3.46 
 &rst
  ixpk= 0, nxpk= 0, iat=  96, 166, r1= 1.30, r2= 1.80, r3= 3.46, r4= 3.96,  &end
#
#  7 CYX   HA    8    PHE   HA    4.79 
 &rst
  ixpk= 0, nxpk= 0, iat=  96, 106, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,  &end
#
#  4 GLN   HN    4    GLN   HG2   4.01 
 &rst
  ixpk= 0, nxpk= 0, iat=  50,  57, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51,  &end
#
#  4 GLN   HN    4    GLN   HG3   4.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  50,  58, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  4 GLN   HN    4    GLN   HB3   3.95 
 &rst
  ixpk= 0, nxpk= 0, iat=  50,  55, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45,  &end
#
#  7 CYX   HA    8    PHE   HN    2.70 
 &rst
  ixpk= 0, nxpk= 0, iat=  96, 104, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20,  &end
#
#  8 PHE   HN    11   VAL   HB    4.11 
 &rst
  ixpk= 0, nxpk= 0, iat= 104, 152, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,  &end
#
#  8 PHE   HN    8    PHE   HB3   3.49 
 &rst
  ixpk= 0, nxpk= 0, iat= 104, 109, r1= 1.30, r2= 1.80, r3= 3.49, r4= 3.99,  &end
#
#  8 PHE   HN    9    ALA   HN    4.53 
 &rst
  ixpk= 0, nxpk= 0, iat= 104, 124, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,  &end
#
#  8 PHE   HN    12   ASP   HA    4.11 
 &rst
  ixpk= 0, nxpk= 0, iat= 104, 166, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,  &end
#
#  8 PHE   HN    8    PHE   HD    5.49 
 &rst
  ixpk= 0, nxpk= 0, iat= 104,  -1, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66,
 igr2= 112, 120,
 &end
#
#  8 PHE   HN    8    PHE   HD    5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 104,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 112, 120,
 &end
#
#  8 PHE   HN    13   VAL   QG2   3.47 
 &rst
  ixpk= 0, nxpk= 0, iat= 104,  -1, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67,
 igr2= 186, 187, 188,
 &end
#
#  8 PHE   HN    11   VAL   QG2   5.39 
 &rst
  ixpk= 0, nxpk= 0, iat= 104,  -1, r1= 1.30, r2= 1.80, r3= 6.47, r4= 6.97,
 igr2= 158, 159, 160,
 &end
#
#  8 PHE   HN    13   VAL   QG1   5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 104,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 182, 183, 184,
 &end
#
#  8 PHE   HN    10   ASN   HN    4.48 
 &rst
  ixpk= 0, nxpk= 0, iat= 104, 134, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98,  &end
#
#  7 CYX   HB3   8    PHE   HN    4.08 
 &rst
  ixpk= 0, nxpk= 0, iat=  99, 104, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58,  &end
#
#  8 PHE   HN    11   VAL   HN    3.44 
 &rst
  ixpk= 0, nxpk= 0, iat= 104, 148, r1= 1.30, r2= 1.80, r3= 3.44, r4= 3.94,  &end
#
# 34 LYS   HB2   34   LYS   QE    4.85 
 &rst
  ixpk= 0, nxpk= 0, iat= 490,  -1, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94,
 igr2= 499, 500,
 &end
#
# 19 ARG   HB3   19   ARG   HE    3.99 
 &rst
  ixpk= 0, nxpk= 0, iat= 270, 278, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49,  &end
#
# 19 ARG   QG    19   ARG   HE    4.15 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 278, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,
 igr1= 272, 273,
 &end
#
# 19 ARG   HB2   19   ARG   HE    3.99 
 &rst
  ixpk= 0, nxpk= 0, iat= 269, 278, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49,  &end
#
# 13 VAL   HN    13   VAL   HB    3.69 
 &rst
  ixpk= 0, nxpk= 0, iat= 176, 180, r1= 1.30, r2= 1.80, r3= 3.69, r4= 4.19,  &end
#
# 12 ASP   HA    13   VAL   HN    3.40 
 &rst
  ixpk= 0, nxpk= 0, iat= 166, 176, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90,  &end
#
# 13 VAL   HN    13   VAL   QG2   2.79 
 &rst
  ixpk= 0, nxpk= 0, iat= 176,  -1, r1= 1.30, r2= 1.80, r3= 3.35, r4= 3.85,
 igr2= 186, 187, 188,
 &end
#
#  2 LYS   HB2   2    LYS   QD    3.14 
 &rst
  ixpk= 0, nxpk= 0, iat=  18,  -1, r1= 1.30, r2= 1.80, r3= 3.52, r4= 4.02,
 igr2=  24,  25,
 &end
#
# 17 CYX   HB2   18   LYS   HN    4.45 
 &rst
  ixpk= 0, nxpk= 0, iat= 237, 243, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95,  &end
#
# 34 LYS   HB3   35   CYX   HN    3.94 
 &rst
  ixpk= 0, nxpk= 0, iat= 491, 508, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44,  &end
#
# 34 LYS   HA    35   CYX   HN    2.74 
 &rst
  ixpk= 0, nxpk= 0, iat= 488, 508, r1= 1.30, r2= 1.80, r3= 2.74, r4= 3.24,  &end
#
# 35 CYX   HN    36   LYS   HN    4.57 
 &rst
  ixpk= 0, nxpk= 0, iat= 508, 518, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07,  &end
#
# 34 LYS   HB2   35   CYX   HN    3.63 
 &rst
  ixpk= 0, nxpk= 0, iat= 490, 508, r1= 1.30, r2= 1.80, r3= 3.63, r4= 4.13,  &end
#
# 35 CYX   HN    35   CYX   HB3   3.14 
 &rst
  ixpk= 0, nxpk= 0, iat= 508, 513, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,  &end
#
#  5 PHE   HD    35   CYX   HN    4.88 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 508, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98,
 igr1=  75,  83,
 &end
#
# 35 CYX   HN    35   CYX   HB2   3.34 
 &rst
  ixpk= 0, nxpk= 0, iat= 508, 512, r1= 1.30, r2= 1.80, r3= 3.34, r4= 3.84,  &end
#
# 14 LYS   QB    14   LYS   QE    5.02 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.32, r4= 6.82,
 igr1= 196, 197,
 igr2= 205, 206,
 &end
#
# 14 LYS   HA    14   LYS   QE    4.05 
 &rst
  ixpk= 0, nxpk= 0, iat= 194,  -1, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05,
 igr2= 205, 206,
 &end
#
# 13 VAL   HA    13   VAL   QG2   3.30 
 &rst
  ixpk= 0, nxpk= 0, iat= 178,  -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
 igr2= 186, 187, 188,
 &end
#
#  8 PHE   HB3   13   VAL   QG2   3.44 
 &rst
  ixpk= 0, nxpk= 0, iat= 109,  -1, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63,
 igr2= 186, 187, 188,
 &end
#
# 41 ILE   QG2   41   ILE   HG12  3.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 597, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 593, 594, 595,
 &end
#
# 33 THR   HA    34   LYS   HG2   4.67 
 &rst
  ixpk= 0, nxpk= 0, iat= 474, 493, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,  &end
#
# 33 THR   HA    33   THR   HB    2.96 
 &rst
  ixpk= 0, nxpk= 0, iat= 474, 476, r1= 1.30, r2= 1.80, r3= 2.96, r4= 3.46,  &end
#
#  4 GLN   HN    6    GLY   HN    3.45 
 &rst
  ixpk= 0, nxpk= 0, iat=  50,  87, r1= 1.30, r2= 1.80, r3= 3.45, r4= 3.95,  &end
#
#  6 GLY   HN    15   GLY   HA3   5.32 
 &rst
  ixpk= 0, nxpk= 0, iat=  87, 217, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82,  &end
#
#  5 PHE   HA    6    GLY   HN    3.33 
 &rst
  ixpk= 0, nxpk= 0, iat=  69,  87, r1= 1.30, r2= 1.80, r3= 3.33, r4= 3.83,  &end
#
#  4 GLN   HG3   6    GLY   HN    3.99 
 &rst
  ixpk= 0, nxpk= 0, iat=  58,  87, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49,  &end
#
#  5 PHE   HN    6    GLY   HN    3.31 
 &rst
  ixpk= 0, nxpk= 0, iat=  67,  87, r1= 1.30, r2= 1.80, r3= 3.31, r4= 3.81,  &end
#
#  5 PHE   HB2   6    GLY   HN    4.23 
 &rst
  ixpk= 0, nxpk= 0, iat=  71,  87, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73,  &end
#
# 21 CYX   HB2   28   GLY   HA2   4.01 
 &rst
  ixpk= 0, nxpk= 0, iat= 310, 414, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51,  &end
#
# 21 CYX   HB2   28   GLY   HA3   3.68 
 &rst
  ixpk= 0, nxpk= 0, iat= 310, 415, r1= 1.30, r2= 1.80, r3= 3.68, r4= 4.18,  &end
#
# 21 CYX   HB2   28   GLY   HN    4.01 
 &rst
  ixpk= 0, nxpk= 0, iat= 310, 412, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51,  &end
#
# 11 VAL   HA    11   VAL   QG1   2.83 
 &rst
  ixpk= 0, nxpk= 0, iat= 150,  -1, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90,
 igr2= 154, 155, 156,
 &end
#
# 11 VAL   QG1   12   ASP   HN    3.10 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 164, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22,
 igr1= 154, 155, 156,
 &end
#
# 41 ILE   HN    41   ILE   HB    3.62 
 &rst
  ixpk= 0, nxpk= 0, iat= 587, 591, r1= 1.30, r2= 1.80, r3= 3.62, r4= 4.12,  &end
#
# 34 LYS   HA    34   LYS   HD3   4.22 
 &rst
  ixpk= 0, nxpk= 0, iat= 488, 497, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72,  &end
#
#  5 PHE   HB2   34   LYS   HA    5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  71, 488, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 34 LYS   HA    34   LYS   QE    5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 488,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 499, 500,
 &end
#
# 34 LYS   HA    34   LYS   HD2   4.22 
 &rst
  ixpk= 0, nxpk= 0, iat= 488, 496, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72,  &end
#
# 24 GLU   HN    25   ASP   HA    4.45 
 &rst
  ixpk= 0, nxpk= 0, iat= 348, 365, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95,  &end
#
# 25 ASP   HA    41   ILE   QG2   3.66 
 &rst
  ixpk= 0, nxpk= 0, iat= 365,  -1, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,
 igr2= 593, 594, 595,
 &end
#
# 41 ILE   HB    42   SER   HN    4.06 
 &rst
  ixpk= 0, nxpk= 0, iat= 591, 606, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56,  &end
#
# 42 SER   HN    42   SER   HB3   3.54 
 &rst
  ixpk= 0, nxpk= 0, iat= 606, 611, r1= 1.30, r2= 1.80, r3= 3.54, r4= 4.04,  &end
#
# 41 ILE   QD1   42   SER   HN    3.31 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 606, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48,
 igr1= 600, 601, 602,
 &end
#
# 41 ILE   HN    42   SER   HN    3.38 
 &rst
  ixpk= 0, nxpk= 0, iat= 587, 606, r1= 1.30, r2= 1.80, r3= 3.38, r4= 3.88,  &end
#
# 42 SER   HN    42   SER   HA    2.79 
 &rst
  ixpk= 0, nxpk= 0, iat= 606, 608, r1= 1.30, r2= 1.80, r3= 2.79, r4= 3.29,  &end
#
# 40 PRO   HA    42   SER   HN    4.82 
 &rst
  ixpk= 0, nxpk= 0, iat= 583, 606, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32,  &end
#
# 41 ILE   QG2   42   SER   HN    4.79 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 606, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25,
 igr1= 593, 594, 595,
 &end
#
# 35 CYX   HA    36   LYS   HN    2.62 
 &rst
  ixpk= 0, nxpk= 0, iat= 510, 518, r1= 1.30, r2= 1.80, r3= 2.62, r4= 3.12,  &end
#
# 36 LYS   HN    37   CYX   HN    4.06 
 &rst
  ixpk= 0, nxpk= 0, iat= 518, 540, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56,  &end
#
# 29 ILE   HB    36   LYS   HN    5.35 
 &rst
  ixpk= 0, nxpk= 0, iat= 423, 518, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85,  &end
#
# 35 CYX   HB3   36   LYS   HN    4.54 
 &rst
  ixpk= 0, nxpk= 0, iat= 513, 518, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,  &end
#
# 28 GLY   HA2   36   LYS   HN    4.77 
 &rst
  ixpk= 0, nxpk= 0, iat= 414, 518, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,  &end
#
# 31 HIS   HN    36   LYS   HN    4.48 
 &rst
  ixpk= 0, nxpk= 0, iat= 448, 518, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98,  &end
#
# 36 LYS   HN    36   LYS   QG    4.37 
 &rst
  ixpk= 0, nxpk= 0, iat= 518,  -1, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,
 igr2= 525, 526,
 &end
#
# 29 ILE   QD1   36   LYS   HN    4.87 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 518, r1= 1.30, r2= 1.80, r3= 5.85, r4= 6.35,
 igr1= 432, 433, 434,
 &end
#
# 30 CYX   HA    36   LYS   HN    4.17 
 &rst
  ixpk= 0, nxpk= 0, iat= 440, 518, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67,  &end
#
# 36 LYS   HN    36   LYS   HB3   3.34 
 &rst
  ixpk= 0, nxpk= 0, iat= 518, 523, r1= 1.30, r2= 1.80, r3= 3.34, r4= 3.84,  &end
#
# 29 ILE   HN    36   LYS   HN    3.35 
 &rst
  ixpk= 0, nxpk= 0, iat= 419, 518, r1= 1.30, r2= 1.80, r3= 3.35, r4= 3.85,  &end
#
# 35 CYX   HB2   36   LYS   HN    4.39 
 &rst
  ixpk= 0, nxpk= 0, iat= 512, 518, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89,  &end
#
# 36 LYS   HN    36   LYS   HB2   3.34 
 &rst
  ixpk= 0, nxpk= 0, iat= 518, 522, r1= 1.30, r2= 1.80, r3= 3.34, r4= 3.84,  &end
#
#  3 ASN   HA    3    ASN   HD21  5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  38,  45, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 33 THR   HA    33   THR   QG2   2.68 
 &rst
  ixpk= 0, nxpk= 0, iat= 474,  -1, r1= 1.30, r2= 1.80, r3= 3.22, r4= 3.72,
 igr2= 478, 479, 480,
 &end
#
# 33 THR   HN    33   THR   QG2   3.09 
 &rst
  ixpk= 0, nxpk= 0, iat= 472,  -1, r1= 1.30, r2= 1.80, r3= 3.71, r4= 4.21,
 igr2= 478, 479, 480,
 &end
#
#  9 ALA   HN    33   THR   QG2   3.21 
 &rst
  ixpk= 0, nxpk= 0, iat= 124,  -1, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36,
 igr2= 478, 479, 480,
 &end
#
#  8 PHE   HA    9    ALA   QB    4.70 
 &rst
  ixpk= 0, nxpk= 0, iat= 106,  -1, r1= 1.30, r2= 1.80, r3= 5.64, r4= 6.14,
 igr2= 128, 129, 130,
 &end
#
# 37 CYX   HN    37   CYX   HB2   3.36 
 &rst
  ixpk= 0, nxpk= 0, iat= 540, 544, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,  &end
#
#  8 PHE   HN    13   VAL   HN    4.60 
 &rst
  ixpk= 0, nxpk= 0, iat= 104, 176, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,  &end
#
# 36 LYS   HA    37   CYX   HN    2.57 
 &rst
  ixpk= 0, nxpk= 0, iat= 520, 540, r1= 1.30, r2= 1.80, r3= 2.57, r4= 3.07,  &end
#
# 36 LYS   HB3   37   CYX   HN    4.76 
 &rst
  ixpk= 0, nxpk= 0, iat= 523, 540, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,  &end
#
# 10 ASN   HN    10   ASN   HD22  5.27 
 &rst
  ixpk= 0, nxpk= 0, iat= 134, 144, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77,  &end
#
# 39 VAL   HB    40   PRO   HD2   3.29 
 &rst
  ixpk= 0, nxpk= 0, iat= 561, 574, r1= 1.30, r2= 1.80, r3= 3.29, r4= 3.79,  &end
#
# 19 ARG   HA    22   LYS   HB2   3.56 
 &rst
  ixpk= 0, nxpk= 0, iat= 267, 320, r1= 1.30, r2= 1.80, r3= 3.56, r4= 4.06,  &end
#
# 22 LYS   HB2   23   ALA   HN    4.10 
 &rst
  ixpk= 0, nxpk= 0, iat= 320, 338, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,  &end
#
# 18 LYS   QD    22   LYS   HB2   4.01 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 320, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,
 igr1= 253, 254,
 &end
#
# 26 LYS   HN    26   LYS   QE    5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 375,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 388, 389,
 &end
#
# 26 LYS   HN    26   LYS   QB    3.83 
 &rst
  ixpk= 0, nxpk= 0, iat= 375,  -1, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,
 igr2= 379, 380,
 &end
#
# 25 ASP   HA    26   LYS   HN    3.03 
 &rst
  ixpk= 0, nxpk= 0, iat= 365, 375, r1= 1.30, r2= 1.80, r3= 3.03, r4= 3.53,  &end
#
# 26 LYS   HN    27   GLU   HN    4.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 375, 397, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 25 ASP   HN    26   LYS   HN    3.03 
 &rst
  ixpk= 0, nxpk= 0, iat= 363, 375, r1= 1.30, r2= 1.80, r3= 3.03, r4= 3.53,  &end
#
# 26 LYS   HN    26   LYS   QG    3.84 
 &rst
  ixpk= 0, nxpk= 0, iat= 375,  -1, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81,
 igr2= 382, 383,
 &end
#
# 22 LYS   HA    26   LYS   HN    3.03 
 &rst
  ixpk= 0, nxpk= 0, iat= 318, 375, r1= 1.30, r2= 1.80, r3= 3.03, r4= 3.53,  &end
#
# 21 CYX   HB3   26   LYS   HN    5.08 
 &rst
  ixpk= 0, nxpk= 0, iat= 311, 375, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,  &end
#
# 42 SER   HB3   43   TYR   HN    4.51 
 &rst
  ixpk= 0, nxpk= 0, iat= 611, 617, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01,  &end
#
# 19 ARG   HB3   19   ARG   QG    2.94 
 &rst
  ixpk= 0, nxpk= 0, iat= 270,  -1, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,
 igr2= 272, 273,
 &end
#
# 19 ARG   HB3   20   HIS   HN    3.98 
 &rst
  ixpk= 0, nxpk= 0, iat= 270, 289, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48,  &end
#
# 19 ARG   HN    19   ARG   HB3   3.62 
 &rst
  ixpk= 0, nxpk= 0, iat= 265, 270, r1= 1.30, r2= 1.80, r3= 3.62, r4= 4.12,  &end
#
# 18 LYS   QG    22   LYS   HB2   4.06 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 320, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06,
 igr1= 250, 251,
 &end
#
# 18 LYS   QG    18   LYS   QD    2.99 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr1= 250, 251,
 igr2= 253, 254,
 &end
#
# 32 GLY   HN    33   THR   HN    4.66 
 &rst
  ixpk= 0, nxpk= 0, iat= 465, 472, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,  &end
#
# 32 GLY   HN    32   GLY   HA2   2.94 
 &rst
  ixpk= 0, nxpk= 0, iat= 465, 467, r1= 1.30, r2= 1.80, r3= 2.94, r4= 3.44,  &end
#
# 31 HIS   HA    32   GLY   HN    3.12 
 &rst
  ixpk= 0, nxpk= 0, iat= 450, 465, r1= 1.30, r2= 1.80, r3= 3.12, r4= 3.62,  &end
#
# 30 CYX   QB    32   GLY   HN    4.75 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 465, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83,
 igr1= 442, 443,
 &end
#
# 10 ASN   HA    32   GLY   HN    3.52 
 &rst
  ixpk= 0, nxpk= 0, iat= 136, 465, r1= 1.30, r2= 1.80, r3= 3.52, r4= 4.02,  &end
#
# 43 TYR   HB3   43   TYR   HE    5.46 
 &rst
  ixpk= 0, nxpk= 0, iat= 622,  -1, r1= 1.30, r2= 1.80, r3= 6.13, r4= 6.63,
 igr2= 627, 632,
 &end
#
# 41 ILE   QD1   43   TYR   HE    4.90 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 600, 601, 602,
 igr2= 627, 632,
 &end
#
# 43 TYR   HN    43   TYR   HE    5.09 
 &rst
  ixpk= 0, nxpk= 0, iat= 617,  -1, r1= 1.30, r2= 1.80, r3= 5.71, r4= 6.21,
 igr2= 627, 632,
 &end
#
# 43 TYR   HB2   43   TYR   HE    5.46 
 &rst
  ixpk= 0, nxpk= 0, iat= 621,  -1, r1= 1.30, r2= 1.80, r3= 6.13, r4= 6.63,
 igr2= 627, 632,
 &end
#
# 42 SER   HN    42   SER   HB2   3.54 
 &rst
  ixpk= 0, nxpk= 0, iat= 606, 610, r1= 1.30, r2= 1.80, r3= 3.54, r4= 4.04,  &end
#
# 42 SER   HB2   43   TYR   HN    4.51 
 &rst
  ixpk= 0, nxpk= 0, iat= 610, 617, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01,  &end
#
# 29 ILE   HB    30   CYX   HN    4.17 
 &rst
  ixpk= 0, nxpk= 0, iat= 423, 438, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67,  &end
#
# 29 ILE   HB    29   ILE   QD1   3.20 
 &rst
  ixpk= 0, nxpk= 0, iat= 423,  -1, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34,
 igr2= 432, 433, 434,
 &end
#
# 29 ILE   HB    31   HIS   HD2   5.24 
 &rst
  ixpk= 0, nxpk= 0, iat= 423, 461, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,  &end
#
# 29 ILE   HB    29   ILE   HG12  2.94 
 &rst
  ixpk= 0, nxpk= 0, iat= 423, 429, r1= 1.30, r2= 1.80, r3= 2.94, r4= 3.44,  &end
#
#  5 PHE   HE    35   CYX   HB3   4.15 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 513, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,
 igr1=  77,  81,
 &end
#
#  5 PHE   HE    35   CYX   HB2   5.43 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 512, r1= 1.30, r2= 1.80, r3= 6.09, r4= 6.59,
 igr1=  77,  81,
 &end
#
#  5 PHE   HE    34   LYS   HB3   4.62 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 491, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,
 igr1=  77,  81,
 &end
#
# 29 ILE   QG2   29   ILE   HG13  2.77 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 430, r1= 1.30, r2= 1.80, r3= 3.33, r4= 3.83,
 igr1= 425, 426, 427,
 &end
#
# 29 ILE   HA    29   ILE   QG2   3.41 
 &rst
  ixpk= 0, nxpk= 0, iat= 421,  -1, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,
 igr2= 425, 426, 427,
 &end
#
# 29 ILE   QG2   29   ILE   QD1   2.74 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45,
 igr1= 425, 426, 427,
 igr2= 432, 433, 434,
 &end
#
# 29 ILE   HN    29   ILE   QG2   4.23 
 &rst
  ixpk= 0, nxpk= 0, iat= 419,  -1, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,
 igr2= 425, 426, 427,
 &end
#
# 29 ILE   QG2   29   ILE   HG12  3.20 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 429, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34,
 igr1= 425, 426, 427,
 &end
#
#  5 PHE   HA    5    PHE   HE    4.76 
 &rst
  ixpk= 0, nxpk= 0, iat=  69,  -1, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
 igr2=  77,  81,
 &end
#
#  5 PHE   HE    20   HIS   QB    4.44 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.59, r4= 6.09,
 igr1=  77,  81,
 igr2= 293, 294,
 &end
#
#  4 GLN   HN    4    GLN   HB2   3.95 
 &rst
  ixpk= 0, nxpk= 0, iat=  50,  54, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45,  &end
#
#  4 GLN   HB2   4    GLN   HE22  5.02 
 &rst
  ixpk= 0, nxpk= 0, iat=  54,  63, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52,  &end
#
# 19 ARG   HA    19   ARG   HE    5.12 
 &rst
  ixpk= 0, nxpk= 0, iat= 267, 278, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,  &end
#
# 19 ARG   HA    19   ARG   QG    3.40 
 &rst
  ixpk= 0, nxpk= 0, iat= 267,  -1, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32,
 igr2= 272, 273,
 &end
#
# 19 ARG   HA    22   LYS   HB3   3.09 
 &rst
  ixpk= 0, nxpk= 0, iat= 267, 321, r1= 1.30, r2= 1.80, r3= 3.09, r4= 3.59,  &end
#
# 19 ARG   HA    22   LYS   HN    3.54 
 &rst
  ixpk= 0, nxpk= 0, iat= 267, 316, r1= 1.30, r2= 1.80, r3= 3.54, r4= 4.04,  &end
#
# 32 GLY   HA2   33   THR   HN    3.54 
 &rst
  ixpk= 0, nxpk= 0, iat= 467, 472, r1= 1.30, r2= 1.80, r3= 3.54, r4= 4.04,  &end
#
# 32 GLY   HA3   33   THR   HN    2.92 
 &rst
  ixpk= 0, nxpk= 0, iat= 468, 472, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42,  &end
#
# 16 ASP   QB    18   LYS   QG    5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 225, 226,
 igr2= 250, 251,
 &end
#
# 22 LYS   HA    23   ALA   QB    5.18 
 &rst
  ixpk= 0, nxpk= 0, iat= 318,  -1, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
 igr2= 342, 343, 344,
 &end
#
# 22 LYS   HN    23   ALA   QB    4.38 
 &rst
  ixpk= 0, nxpk= 0, iat= 316,  -1, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76,
 igr2= 342, 343, 344,
 &end
#
# 37 CYX   HB2   38   GLY   HA2   5.20 
 &rst
  ixpk= 0, nxpk= 0, iat= 544, 552, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,  &end
#
#  9 ALA   HA    32   GLY   HA2   3.68 
 &rst
  ixpk= 0, nxpk= 0, iat= 126, 467, r1= 1.30, r2= 1.80, r3= 3.68, r4= 4.18,  &end
#
# 34 LYS   HN    34   LYS   QE    5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 486,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 499, 500,
 &end
#
# 34 LYS   HN    34   LYS   HB3   3.93 
 &rst
  ixpk= 0, nxpk= 0, iat= 486, 491, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,  &end
#
# 33 THR   QG2   34   LYS   HN    4.31 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 486, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68,
 igr1= 478, 479, 480,
 &end
#
# 33 THR   HN    34   LYS   HN    2.87 
 &rst
  ixpk= 0, nxpk= 0, iat= 472, 486, r1= 1.30, r2= 1.80, r3= 2.87, r4= 3.37,  &end
#
# 32 GLY   HA2   34   LYS   HN    4.96 
 &rst
  ixpk= 0, nxpk= 0, iat= 467, 486, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,  &end
#
# 34 LYS   HN    34   LYS   HG2   3.95 
 &rst
  ixpk= 0, nxpk= 0, iat= 486, 493, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45,  &end
#
# 34 LYS   HN    34   LYS   HG3   4.73 
 &rst
  ixpk= 0, nxpk= 0, iat= 486, 494, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,  &end
#
# 22 LYS   HB3   22   LYS   HD3   4.22 
 &rst
  ixpk= 0, nxpk= 0, iat= 321, 327, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72,  &end
#
# 39 VAL   QG1   40   PRO   HD2   3.31 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 574, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48,
 igr1= 563, 564, 565,
 &end
#
# 39 VAL   QG1   40   PRO   HD3   3.65 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 575, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,
 igr1= 563, 564, 565,
 &end
#
# 26 LYS   QB    26   LYS   QD    2.66 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.35, r4= 3.85,
 igr1= 379, 380,
 igr2= 385, 386,
 &end
#
# 26 LYS   QD    39   VAL   HB    5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 561, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 385, 386,
 &end
#
# 26 LYS   QD    37   CYX   HB3   3.49 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 545, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42,
 igr1= 385, 386,
 &end
#
# 26 LYS   QG    26   LYS   QD    2.70 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90,
 igr1= 382, 383,
 igr2= 385, 386,
 &end
#
# 26 LYS   HA    26   LYS   QD    3.45 
 &rst
  ixpk= 0, nxpk= 0, iat= 377,  -1, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37,
 igr2= 385, 386,
 &end
#
# 21 CYX   HB3   26   LYS   QD    4.62 
 &rst
  ixpk= 0, nxpk= 0, iat= 311,  -1, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,
 igr2= 385, 386,
 &end
#
# 26 LYS   QD    40   PRO   HA    4.04 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 583, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
 igr1= 385, 386,
 &end
#
# 43 TYR   HA    43   TYR   HE    5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 619,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 627, 632,
 &end
#
# 43 TYR   HA    43   TYR   HE    5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 619,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 627, 632,
 &end
#
# 31 HIS   HA    32   GLY   HA2   4.65 
 &rst
  ixpk= 0, nxpk= 0, iat= 450, 467, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,  &end
#
# 37 CYX   HA    38   GLY   HN    2.66 
 &rst
  ixpk= 0, nxpk= 0, iat= 542, 550, r1= 1.30, r2= 1.80, r3= 2.66, r4= 3.16,  &end
#
# 26 LYS   QB    38   GLY   HN    3.51 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 550, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44,
 igr1= 379, 380,
 &end
#
# 26 LYS   QD    38   GLY   HN    4.16 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 550, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,
 igr1= 385, 386,
 &end
#
# 28 GLY   HA2   38   GLY   HN    4.07 
 &rst
  ixpk= 0, nxpk= 0, iat= 414, 550, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57,  &end
#
# 12 ASP   HN    30   CYX   QB    4.91 
 &rst
  ixpk= 0, nxpk= 0, iat= 164,  -1, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01,
 igr2= 442, 443,
 &end
#
# 37 CYX   HB3   38   GLY   HN    3.86 
 &rst
  ixpk= 0, nxpk= 0, iat= 545, 550, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36,  &end
#
# 27 GLU   HB2   38   GLY   HN    4.51 
 &rst
  ixpk= 0, nxpk= 0, iat= 401, 550, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01,  &end
#
# 27 GLU   HB3   38   GLY   HN    4.80 
 &rst
  ixpk= 0, nxpk= 0, iat= 402, 550, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,  &end
#
# 38 GLY   HN    38   GLY   HA3   2.78 
 &rst
  ixpk= 0, nxpk= 0, iat= 550, 553, r1= 1.30, r2= 1.80, r3= 2.78, r4= 3.28,  &end
#
# 34 LYS   HA    34   LYS   HG2   4.20 
 &rst
  ixpk= 0, nxpk= 0, iat= 488, 493, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,  &end
#
# 44 LEU   QB    44   LEU   QQD   4.10 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 644, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
 igr1= 642, 643,
 &end
#
#  8 PHE   HA    8    PHE   HE    4.73 
 &rst
  ixpk= 0, nxpk= 0, iat= 106,  -1, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,
 igr2= 114, 118,
 &end
#
#  3 ASN   HA    3    ASN   QB    2.92 
 &rst
  ixpk= 0, nxpk= 0, iat=  38,  -1, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78,
 igr2=  40,  41,
 &end
#
# 11 VAL   HA    12   ASP   HN    2.66 
 &rst
  ixpk= 0, nxpk= 0, iat= 150, 164, r1= 1.30, r2= 1.80, r3= 2.66, r4= 3.16,  &end
#
# 29 ILE   HA    29   ILE   HG13  3.62 
 &rst
  ixpk= 0, nxpk= 0, iat= 421, 430, r1= 1.30, r2= 1.80, r3= 3.62, r4= 4.12,  &end
#
# 29 ILE   HA    29   ILE   HG12  3.58 
 &rst
  ixpk= 0, nxpk= 0, iat= 421, 429, r1= 1.30, r2= 1.80, r3= 3.58, r4= 4.08,  &end
#
# 26 LYS   QB    27   GLU   HN    3.09 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 397, r1= 1.30, r2= 1.80, r3= 3.47, r4= 3.97,
 igr1= 379, 380,
 &end
#
# 21 CYX   HB3   27   GLU   HN    4.67 
 &rst
  ixpk= 0, nxpk= 0, iat= 311, 397, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,  &end
#
# 26 LYS   QD    27   GLU   HN    3.56 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 397, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
 igr1= 385, 386,
 &end
#
# 27 GLU   HN    38   GLY   HN    3.58 
 &rst
  ixpk= 0, nxpk= 0, iat= 397, 550, r1= 1.30, r2= 1.80, r3= 3.58, r4= 4.08,  &end
#
# 27 GLU   HN    28   GLY   HN    4.41 
 &rst
  ixpk= 0, nxpk= 0, iat= 397, 412, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,  &end
#
# 27 GLU   HN    37   CYX   HB3   5.05 
 &rst
  ixpk= 0, nxpk= 0, iat= 397, 545, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,  &end
#
# 27 GLU   HN    39   VAL   QG2   4.15 
 &rst
  ixpk= 0, nxpk= 0, iat= 397,  -1, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48,
 igr2= 567, 568, 569,
 &end
#
# 26 LYS   HA    27   GLU   HN    2.83 
 &rst
  ixpk= 0, nxpk= 0, iat= 377, 397, r1= 1.30, r2= 1.80, r3= 2.83, r4= 3.33,  &end
#
# 27 GLU   HN    39   VAL   HA    4.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 397, 559, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 27 GLU   HN    27   GLU   HB2   3.07 
 &rst
  ixpk= 0, nxpk= 0, iat= 397, 401, r1= 1.30, r2= 1.80, r3= 3.07, r4= 3.57,  &end
#
# 27 GLU   HN    40   PRO   HA    3.91 
 &rst
  ixpk= 0, nxpk= 0, iat= 397, 583, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41,  &end
#
# 27 GLU   HN    27   GLU   HB3   3.55 
 &rst
  ixpk= 0, nxpk= 0, iat= 397, 402, r1= 1.30, r2= 1.80, r3= 3.55, r4= 4.05,  &end
#
#  8 PHE   HZ    33   THR   QG2   4.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 116,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 478, 479, 480,
 &end
#
#  8 PHE   HZ    9    ALA   QB    4.52 
 &rst
  ixpk= 0, nxpk= 0, iat= 116,  -1, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,
 igr2= 128, 129, 130,
 &end
#
# 19 ARG   HN    19   ARG   QG    5.08 
 &rst
  ixpk= 0, nxpk= 0, iat= 265,  -1, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,
 igr2= 272, 273,
 &end
#
# 20 HIS   HN    20   HIS   QB    4.20 
 &rst
  ixpk= 0, nxpk= 0, iat= 289,  -1, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
 igr2= 293, 294,
 &end
#
# 25 ASP   HN    25   ASP   HA    2.48 
 &rst
  ixpk= 0, nxpk= 0, iat= 363, 365, r1= 1.30, r2= 1.80, r3= 2.48, r4= 2.98,  &end
#
# 23 ALA   QB    25   ASP   HN    4.64 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 363, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07,
 igr1= 342, 343, 344,
 &end
#
# 25 ASP   HN    25   ASP   HB2   3.99 
 &rst
  ixpk= 0, nxpk= 0, iat= 363, 367, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49,  &end
#
# 24 GLU   HN    25   ASP   HN    2.69 
 &rst
  ixpk= 0, nxpk= 0, iat= 348, 363, r1= 1.30, r2= 1.80, r3= 2.69, r4= 3.19,  &end
#
# 24 GLU   HB3   25   ASP   HN    4.53 
 &rst
  ixpk= 0, nxpk= 0, iat= 353, 363, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,  &end
#
# 22 LYS   HA    25   ASP   HN    3.48 
 &rst
  ixpk= 0, nxpk= 0, iat= 318, 363, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98,  &end
#
# 25 ASP   HN    25   ASP   HB3   3.99 
 &rst
  ixpk= 0, nxpk= 0, iat= 363, 368, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49,  &end
#
# 23 ALA   HN    25   ASP   HN    4.28 
 &rst
  ixpk= 0, nxpk= 0, iat= 338, 363, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78,  &end
#
# 24 GLU   HA    25   ASP   HN    3.44 
 &rst
  ixpk= 0, nxpk= 0, iat= 350, 363, r1= 1.30, r2= 1.80, r3= 3.44, r4= 3.94,  &end
#
# 24 GLU   HB2   25   ASP   HN    4.29 
 &rst
  ixpk= 0, nxpk= 0, iat= 352, 363, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79,  &end
#
# 19 ARG   HA    19   ARG   HD3   4.99 
 &rst
  ixpk= 0, nxpk= 0, iat= 267, 276, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49,  &end
#
# 17 CYX   HA    20   HIS   HD2   5.02 
 &rst
  ixpk= 0, nxpk= 0, iat= 235, 302, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52,  &end
#
#  5 PHE   HE    20   HIS   HD2   4.11 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 302, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,
 igr1=  77,  81,
 &end
#
# 20 HIS   HD2   21   CYX   HN    3.78 
 &rst
  ixpk= 0, nxpk= 0, iat= 302, 306, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,  &end
#
# 20 HIS   HD2   21   CYX   HA    4.22 
 &rst
  ixpk= 0, nxpk= 0, iat= 302, 308, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72,  &end
#
# 20 HIS   HA    20   HIS   HD2   5.07 
 &rst
  ixpk= 0, nxpk= 0, iat= 291, 302, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,  &end
#
# 20 HIS   HN    20   HIS   HD2   4.87 
 &rst
  ixpk= 0, nxpk= 0, iat= 289, 302, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37,  &end
#
# 13 VAL   HN    13   VAL   QG1   4.08 
 &rst
  ixpk= 0, nxpk= 0, iat= 176,  -1, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,
 igr2= 182, 183, 184,
 &end
#
# 13 VAL   HA    13   VAL   QG1   2.82 
 &rst
  ixpk= 0, nxpk= 0, iat= 178,  -1, r1= 1.30, r2= 1.80, r3= 3.39, r4= 3.89,
 igr2= 182, 183, 184,
 &end
#
# 41 ILE   HB    41   ILE   QD1   2.73 
 &rst
  ixpk= 0, nxpk= 0, iat= 591,  -1, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78,
 igr2= 600, 601, 602,
 &end
#
# 41 ILE   HN    41   ILE   QD1   3.79 
 &rst
  ixpk= 0, nxpk= 0, iat= 587,  -1, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05,
 igr2= 600, 601, 602,
 &end
#
# 21 CYX   HB3   28   GLY   HA2   4.53 
 &rst
  ixpk= 0, nxpk= 0, iat= 311, 414, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,  &end
#
# 24 GLU   HN    26   LYS   HN    3.77 
 &rst
  ixpk= 0, nxpk= 0, iat= 348, 375, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,  &end
#
# 23 ALA   QB    24   GLU   HN    3.32 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 348, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49,
 igr1= 342, 343, 344,
 &end
#
# 21 CYX   HA    24   GLU   HN    4.04 
 &rst
  ixpk= 0, nxpk= 0, iat= 308, 348, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,  &end
#
# 24 GLU   HN    24   GLU   HG3   3.84 
 &rst
  ixpk= 0, nxpk= 0, iat= 348, 356, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34,  &end
#
# 24 GLU   HN    24   GLU   HB2   3.37 
 &rst
  ixpk= 0, nxpk= 0, iat= 348, 352, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,  &end
#
#  9 ALA   HN    9    ALA   HA    2.63 
 &rst
  ixpk= 0, nxpk= 0, iat= 124, 126, r1= 1.30, r2= 1.80, r3= 2.63, r4= 3.13,  &end
#
#  9 ALA   HN    32   GLY   HA2   4.18 
 &rst
  ixpk= 0, nxpk= 0, iat= 124, 467, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68,  &end
#
#  8 PHE   HA    9    ALA   HN    2.66 
 &rst
  ixpk= 0, nxpk= 0, iat= 106, 124, r1= 1.30, r2= 1.80, r3= 2.66, r4= 3.16,  &end
#
#  9 ALA   HN    10   ASN   HA    5.24 
 &rst
  ixpk= 0, nxpk= 0, iat= 124, 136, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,  &end
#
#  8 PHE   HB2   9    ALA   HN    4.37 
 &rst
  ixpk= 0, nxpk= 0, iat= 108, 124, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87,  &end
#
#  9 ALA   HN    11   VAL   HN    4.43 
 &rst
  ixpk= 0, nxpk= 0, iat= 124, 148, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93,  &end
#
#  9 ALA   HN    9    ALA   QB    3.03 
 &rst
  ixpk= 0, nxpk= 0, iat= 124,  -1, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14,
 igr2= 128, 129, 130,
 &end
#
# 21 CYX   HN    21   CYX   HB2   3.10 
 &rst
  ixpk= 0, nxpk= 0, iat= 306, 310, r1= 1.30, r2= 1.80, r3= 3.10, r4= 3.60,  &end
#
# 19 ARG   HA    21   CYX   HN    4.57 
 &rst
  ixpk= 0, nxpk= 0, iat= 267, 306, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07,  &end
#
# 20 HIS   QB    21   CYX   HN    4.34 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 306, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37,
 igr1= 293, 294,
 &end
#
# 18 LYS   HA    21   CYX   HN    3.94 
 &rst
  ixpk= 0, nxpk= 0, iat= 245, 306, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44,  &end
#
# 21 CYX   HN    28   GLY   HA3   3.95 
 &rst
  ixpk= 0, nxpk= 0, iat= 306, 415, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45,  &end
#
# 21 CYX   HN    21   CYX   HB3   3.78 
 &rst
  ixpk= 0, nxpk= 0, iat= 306, 311, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,  &end
#
# 21 CYX   HA    25   ASP   HN    5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 308, 363, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 21 CYX   HA    24   GLU   HB2   4.26 
 &rst
  ixpk= 0, nxpk= 0, iat= 308, 352, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76,  &end
#
# 18 LYS   HA    21   CYX   HB2   3.88 
 &rst
  ixpk= 0, nxpk= 0, iat= 245, 310, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38,  &end
#
# 18 LYS   HA    18   LYS   QG    3.71 
 &rst
  ixpk= 0, nxpk= 0, iat= 245,  -1, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66,
 igr2= 250, 251,
 &end
#
# 18 LYS   HA    28   GLY   HA2   4.30 
 &rst
  ixpk= 0, nxpk= 0, iat= 245, 414, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,  &end
#
# 18 LYS   HA    28   GLY   HA3   3.26 
 &rst
  ixpk= 0, nxpk= 0, iat= 245, 415, r1= 1.30, r2= 1.80, r3= 3.26, r4= 3.76,  &end
#
# 18 LYS   HA    28   GLY   HN    3.37 
 &rst
  ixpk= 0, nxpk= 0, iat= 245, 412, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,  &end
#
# 18 LYS   HA    18   LYS   QD    3.49 
 &rst
  ixpk= 0, nxpk= 0, iat= 245,  -1, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42,
 igr2= 253, 254,
 &end
#
# 18 LYS   HA    18   LYS   QE    4.80 
 &rst
  ixpk= 0, nxpk= 0, iat= 245,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr2= 256, 257,
 &end
#
#  8 PHE   HA    9    ALA   HA    4.44 
 &rst
  ixpk= 0, nxpk= 0, iat= 106, 126, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,  &end
#
# 28 GLY   HA3   38   GLY   HN    5.17 
 &rst
  ixpk= 0, nxpk= 0, iat= 415, 550, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67,  &end
#
# 20 HIS   HD2   28   GLY   HA3   5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 302, 415, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 40 PRO   HB3   41   ILE   HN    4.27 
 &rst
  ixpk= 0, nxpk= 0, iat= 581, 587, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,  &end
#
# 11 VAL   HB    13   VAL   HN    4.05 
 &rst
  ixpk= 0, nxpk= 0, iat= 152, 176, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55,  &end
#
# 40 PRO   HB2   41   ILE   HN    4.27 
 &rst
  ixpk= 0, nxpk= 0, iat= 580, 587, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,  &end
#
# 41 ILE   HN    41   ILE   HG13  3.58 
 &rst
  ixpk= 0, nxpk= 0, iat= 587, 598, r1= 1.30, r2= 1.80, r3= 3.58, r4= 4.08,  &end
#
# 40 PRO   HA    41   ILE   HN    2.51 
 &rst
  ixpk= 0, nxpk= 0, iat= 583, 587, r1= 1.30, r2= 1.80, r3= 2.51, r4= 3.01,  &end
#
# 41 ILE   HN    41   ILE   QG2   4.22 
 &rst
  ixpk= 0, nxpk= 0, iat= 587,  -1, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,
 igr2= 593, 594, 595,
 &end
#
# 30 CYX   HN    31   HIS   HN    4.86 
 &rst
  ixpk= 0, nxpk= 0, iat= 438, 448, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,  &end
#
# 31 HIS   HN    35   CYX   HA    4.06 
 &rst
  ixpk= 0, nxpk= 0, iat= 448, 510, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56,  &end
#
# 31 HIS   HN    32   GLY   HN    4.00 
 &rst
  ixpk= 0, nxpk= 0, iat= 448, 465, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
# 31 HIS   HN    34   LYS   HN    4.36 
 &rst
  ixpk= 0, nxpk= 0, iat= 448, 486, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86,  &end
#
# 29 ILE   QD1   31   HIS   HN    4.87 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 448, r1= 1.30, r2= 1.80, r3= 5.85, r4= 6.35,
 igr1= 432, 433, 434,
 &end
#
# 30 CYX   HA    31   HIS   HN    2.72 
 &rst
  ixpk= 0, nxpk= 0, iat= 440, 448, r1= 1.30, r2= 1.80, r3= 2.72, r4= 3.22,  &end
#
#  4 GLN   HN    5    PHE   HD    5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  50,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=  75,  83,
 &end
#
#  4 GLN   HG3   4    GLN   HE22  3.90 
 &rst
  ixpk= 0, nxpk= 0, iat=  58,  63, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40,  &end
#
#  4 GLN   HA    5    PHE   HD    4.88 
 &rst
  ixpk= 0, nxpk= 0, iat=  52,  -1, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98,
 igr2=  75,  83,
 &end
#
#  4 GLN   HB3   4    GLN   HE22  5.02 
 &rst
  ixpk= 0, nxpk= 0, iat=  55,  63, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52,  &end
#
#  5 PHE   HD    34   LYS   HB3   5.14 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 491, r1= 1.30, r2= 1.80, r3= 5.77, r4= 6.27,
 igr1=  75,  83,
 &end
#
# 36 LYS   HA    36   LYS   QG    4.02 
 &rst
  ixpk= 0, nxpk= 0, iat= 520,  -1, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01,
 igr2= 525, 526,
 &end
#
# 31 HIS   HN    36   LYS   QG    5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 448,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 525, 526,
 &end
#
# 12 ASP   HN    12   ASP   HB3   3.76 
 &rst
  ixpk= 0, nxpk= 0, iat= 164, 169, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26,  &end
#
# 29 ILE   HA    29   ILE   QD1   3.46 
 &rst
  ixpk= 0, nxpk= 0, iat= 421,  -1, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66,
 igr2= 432, 433, 434,
 &end
#
# 29 ILE   QD1   30   CYX   QB    4.38 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,
 igr1= 432, 433, 434,
 igr2= 442, 443,
 &end
#
# 10 ASN   HN    10   ASN   HB3   4.20 
 &rst
  ixpk= 0, nxpk= 0, iat= 134, 139, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,  &end
#
# 43 TYR   HN    43   TYR   HE    5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 617,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 627, 632,
 &end
#
# 41 ILE   QD1   43   TYR   HN    4.23 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 617, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,
 igr1= 600, 601, 602,
 &end
#
# 42 SER   HA    43   TYR   HN    2.70 
 &rst
  ixpk= 0, nxpk= 0, iat= 608, 617, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20,  &end
#
#  5 PHE   HZ    20   HIS   QB    5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  79,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 293, 294,
 &end
#
# 10 ASN   HB3   10   ASN   HD21  3.40 
 &rst
  ixpk= 0, nxpk= 0, iat= 139, 143, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90,  &end
#
# 10 ASN   HN    10   ASN   HD21  4.87 
 &rst
  ixpk= 0, nxpk= 0, iat= 134, 143, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37,  &end
#
# 10 ASN   HB2   10   ASN   HD21  3.40 
 &rst
  ixpk= 0, nxpk= 0, iat= 138, 143, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90,  &end
#
# 10 ASN   HA    10   ASN   HD21  4.74 
 &rst
  ixpk= 0, nxpk= 0, iat= 136, 143, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,  &end
#
# 39 VAL   HB    40   PRO   HD3   3.59 
 &rst
  ixpk= 0, nxpk= 0, iat= 561, 575, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09,  &end
#
# 27 GLU   HN    40   PRO   HD3   5.32 
 &rst
  ixpk= 0, nxpk= 0, iat= 397, 575, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82,  &end
#
# 39 VAL   QG2   40   PRO   HD3   4.68 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 575, r1= 1.30, r2= 1.80, r3= 5.62, r4= 6.12,
 igr1= 567, 568, 569,
 &end
#
# 23 ALA   HA    25   ASP   HN    4.04 
 &rst
  ixpk= 0, nxpk= 0, iat= 340, 363, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,  &end
#
# 30 CYX   HA    35   CYX   HA    3.25 
 &rst
  ixpk= 0, nxpk= 0, iat= 440, 510, r1= 1.30, r2= 1.80, r3= 3.25, r4= 3.75,  &end
#
# 29 ILE   HA    30   CYX   HA    4.49 
 &rst
  ixpk= 0, nxpk= 0, iat= 421, 440, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,  &end
#
# 29 ILE   QD1   30   CYX   HA    4.29 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 440, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,
 igr1= 432, 433, 434,
 &end
#
#  7 CYX   HN    7    CYX   HB3   3.77 
 &rst
  ixpk= 0, nxpk= 0, iat=  94,  99, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,  &end
#
#  7 CYX   HN    8    PHE   HN    4.56 
 &rst
  ixpk= 0, nxpk= 0, iat=  94, 104, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06,  &end
#
#  6 GLY   HN    7    CYX   HN    2.98 
 &rst
  ixpk= 0, nxpk= 0, iat=  87,  94, r1= 1.30, r2= 1.80, r3= 2.98, r4= 3.48,  &end
#
#  5 PHE   HA    7    CYX   HN    4.76 
 &rst
  ixpk= 0, nxpk= 0, iat=  69,  94, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,  &end
#
#  4 GLN   HG2   7    CYX   HN    5.13 
 &rst
  ixpk= 0, nxpk= 0, iat=  57,  94, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63,  &end
#
#  7 CYX   HN    7    CYX   HB2   2.95 
 &rst
  ixpk= 0, nxpk= 0, iat=  94,  98, r1= 1.30, r2= 1.80, r3= 2.95, r4= 3.45,  &end
#
#  7 CYX   HN    30   CYX   QB    5.33 
 &rst
  ixpk= 0, nxpk= 0, iat=  94,  -1, r1= 1.30, r2= 1.80, r3= 5.98, r4= 6.48,
 igr2= 442, 443,
 &end
#
#  4 GLN   HG3   7    CYX   HN    3.74 
 &rst
  ixpk= 0, nxpk= 0, iat=  58,  94, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24,  &end
#
#  5 PHE   HB3   7    CYX   HN    4.20 
 &rst
  ixpk= 0, nxpk= 0, iat=  72,  94, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,  &end
#
#  8 PHE   HB2   8    PHE   HD    2.70 
 &rst
  ixpk= 0, nxpk= 0, iat= 108,  -1, r1= 1.30, r2= 1.80, r3= 3.03, r4= 3.53,
 igr2= 112, 120,
 &end
#
#  8 PHE   HD    11   VAL   HB    4.96 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 152, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07,
 igr1= 112, 120,
 &end
#
# 36 LYS   HN    36   LYS   QE    5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 518,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 531, 532,
 &end
#
# 36 LYS   HA    36   LYS   QE    5.03 
 &rst
  ixpk= 0, nxpk= 0, iat= 520,  -1, r1= 1.30, r2= 1.80, r3= 5.65, r4= 6.15,
 igr2= 531, 532,
 &end
#
#  2 LYS   HA    2    LYS   HG3   4.11 
 &rst
  ixpk= 0, nxpk= 0, iat=  16,  22, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,  &end
#
#  8 PHE   HA    33   THR   QG2   3.85 
 &rst
  ixpk= 0, nxpk= 0, iat= 106,  -1, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
 igr2= 478, 479, 480,
 &end
#
#  8 PHE   HA    10   ASN   HN    4.18 
 &rst
  ixpk= 0, nxpk= 0, iat= 106, 134, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68,  &end
#
#  3 ASN   HN    3    ASN   HD21  5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  36,  45, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  3 ASN   HN    5    PHE   HN    3.73 
 &rst
  ixpk= 0, nxpk= 0, iat=  36,  67, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23,  &end
#
# 43 TYR   HA    43   TYR   HD    4.60 
 &rst
  ixpk= 0, nxpk= 0, iat= 619,  -1, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
 igr2= 625, 634,
 &end
#
# 43 TYR   HN    43   TYR   HD    4.04 
 &rst
  ixpk= 0, nxpk= 0, iat= 617,  -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
 igr2= 625, 634,
 &end
#
#  2 LYS   HB3   2    LYS   QD    3.14 
 &rst
  ixpk= 0, nxpk= 0, iat=  19,  -1, r1= 1.30, r2= 1.80, r3= 3.52, r4= 4.02,
 igr2=  24,  25,
 &end
#
# 41 ILE   QD1   42   SER   HA    4.14 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 608, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47,
 igr1= 600, 601, 602,
 &end
#
#  2 LYS   HN    2    LYS   QD    5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  14,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=  24,  25,
 &end
#
#  2 LYS   HN    4    GLN   HN    3.49 
 &rst
  ixpk= 0, nxpk= 0, iat=  14,  50, r1= 1.30, r2= 1.80, r3= 3.49, r4= 3.99,  &end
#
#  2 LYS   HN    2    LYS   HB2   4.20 
 &rst
  ixpk= 0, nxpk= 0, iat=  14,  18, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,  &end
#
#  2 LYS   HN    5    PHE   HN    4.33 
 &rst
  ixpk= 0, nxpk= 0, iat=  14,  67, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,  &end
#
#  2 LYS   HN    2    LYS   QE    4.42 
 &rst
  ixpk= 0, nxpk= 0, iat=  14,  -1, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,
 igr2=  27,  28,
 &end
#
#  2 LYS   HN    3    ASN   HN    4.27 
 &rst
  ixpk= 0, nxpk= 0, iat=  14,  36, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,  &end
#
#  2 LYS   HN    2    LYS   HB3   4.20 
 &rst
  ixpk= 0, nxpk= 0, iat=  14,  19, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,  &end
#
# 24 GLU   HN    24   GLU   HG2   3.84 
 &rst
  ixpk= 0, nxpk= 0, iat= 348, 355, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34,  &end
#
#  8 PHE   HD    13   VAL   HB    5.17 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 180, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
 igr1= 112, 120,
 &end
#
# 24 GLU   HA    24   GLU   HB3   2.81 
 &rst
  ixpk= 0, nxpk= 0, iat= 350, 353, r1= 1.30, r2= 1.80, r3= 2.81, r4= 3.31,  &end
#
#  5 PHE   HD    17   CYX   HA    4.28 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 235, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1=  75,  83,
 &end
#
#  5 PHE   HA    5    PHE   HD    3.06 
 &rst
  ixpk= 0, nxpk= 0, iat=  69,  -1, r1= 1.30, r2= 1.80, r3= 3.43, r4= 3.93,
 igr2=  75,  83,
 &end
#
#  5 PHE   HD    20   HIS   QB    3.46 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86,
 igr1=  75,  83,
 igr2= 293, 294,
 &end
#
#  5 PHE   HD    20   HIS   HD2   4.07 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 302, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07,
 igr1=  75,  83,
 &end
#
#  5 PHE   HB3   5    PHE   HD    2.88 
 &rst
  ixpk= 0, nxpk= 0, iat=  72,  -1, r1= 1.30, r2= 1.80, r3= 3.23, r4= 3.73,
 igr2=  75,  83,
 &end
#
#  2 LYS   HA    2    LYS   QD    5.24 
 &rst
  ixpk= 0, nxpk= 0, iat=  16,  -1, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
 igr2=  24,  25,
 &end
#
#  2 LYS   HA    2    LYS   QE    4.93 
 &rst
  ixpk= 0, nxpk= 0, iat=  16,  -1, r1= 1.30, r2= 1.80, r3= 5.53, r4= 6.03,
 igr2=  27,  28,
 &end
#
#  2 LYS   HA    2    LYS   HG2   4.11 
 &rst
  ixpk= 0, nxpk= 0, iat=  16,  21, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,  &end
#
# 44 LEU   HA    44   LEU   QQD   4.53 
 &rst
  ixpk= 0, nxpk= 0, iat= 640, 644, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,  &end
#
#  9 ALA   HN    33   THR   HA    4.18 
 &rst
  ixpk= 0, nxpk= 0, iat= 124, 474, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68,  &end
#
# 28 GLY   HN    29   ILE   HB    5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 412, 423, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 28 GLY   HN    29   ILE   HN    5.19 
 &rst
  ixpk= 0, nxpk= 0, iat= 412, 419, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,  &end
#
# 21 CYX   HB3   28   GLY   HN    4.09 
 &rst
  ixpk= 0, nxpk= 0, iat= 311, 412, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59,  &end
#
# 27 GLU   HB2   28   GLY   HN    4.75 
 &rst
  ixpk= 0, nxpk= 0, iat= 401, 412, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25,  &end
#
# 27 GLU   HA    28   GLY   HN    2.59 
 &rst
  ixpk= 0, nxpk= 0, iat= 399, 412, r1= 1.30, r2= 1.80, r3= 2.59, r4= 3.09,  &end
#
#  2 LYS   HN    2    LYS   HG2   5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  14,  21, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 36 LYS   HN    36   LYS   QD    5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 518,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 528, 529,
 &end
#
# 36 LYS   HA    36   LYS   QD    4.30 
 &rst
  ixpk= 0, nxpk= 0, iat= 520,  -1, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
 igr2= 528, 529,
 &end
#
#  4 GLN   HN    5    PHE   HN    3.20 
 &rst
  ixpk= 0, nxpk= 0, iat=  50,  67, r1= 1.30, r2= 1.80, r3= 3.20, r4= 3.70,  &end
#
#  5 PHE   HN    5    PHE   HE    5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  67,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=  77,  81,
 &end
#
#  5 PHE   HN    5    PHE   HE    5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  67,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=  77,  81,
 &end
#
#  5 PHE   HN    5    PHE   HD    4.10 
 &rst
  ixpk= 0, nxpk= 0, iat=  67,  -1, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
 igr2=  75,  83,
 &end
#
#  4 GLN   HA    5    PHE   HN    3.37 
 &rst
  ixpk= 0, nxpk= 0, iat=  52,  67, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,  &end
#
#  3 ASN   QB    4    GLN   HN    3.26 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  50, r1= 1.30, r2= 1.80, r3= 3.66, r4= 4.16,
 igr1=  40,  41,
 &end
#
# 37 CYX   HN    37   CYX   HB3   3.71 
 &rst
  ixpk= 0, nxpk= 0, iat= 540, 545, r1= 1.30, r2= 1.80, r3= 3.71, r4= 4.21,  &end
#
# 29 ILE   HN    35   CYX   HB3   5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 419, 513, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 21 CYX   HB3   37   CYX   HB3   4.64 
 &rst
  ixpk= 0, nxpk= 0, iat= 311, 545, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,  &end
#
# 12 ASP   HN    13   VAL   HN    4.74 
 &rst
  ixpk= 0, nxpk= 0, iat= 164, 176, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,  &end
#
# 11 VAL   HB    12   ASP   HN    4.45 
 &rst
  ixpk= 0, nxpk= 0, iat= 152, 164, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95,  &end
#
# 21 CYX   HB3   38   GLY   HN    4.86 
 &rst
  ixpk= 0, nxpk= 0, iat= 311, 550, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,  &end
#
# 12 ASP   HN    12   ASP   HB2   3.76 
 &rst
  ixpk= 0, nxpk= 0, iat= 164, 168, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26,  &end
#
# 11 VAL   HN    12   ASP   HN    4.75 
 &rst
  ixpk= 0, nxpk= 0, iat= 148, 164, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25,  &end
#
# 41 ILE   HG13  42   SER   HN    3.67 
 &rst
  ixpk= 0, nxpk= 0, iat= 598, 606, r1= 1.30, r2= 1.80, r3= 3.67, r4= 4.17,  &end
#
# 39 VAL   QG2   40   PRO   HD2   3.77 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 574, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
 igr1= 567, 568, 569,
 &end
#
# 26 LYS   QG    37   CYX   HB2   4.43 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 544, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47,
 igr1= 382, 383,
 &end
#
# 26 LYS   QG    26   LYS   QE    3.58 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01,
 igr1= 382, 383,
 igr2= 388, 389,
 &end
#
# 26 LYS   QB    26   LYS   QG    2.81 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.54, r4= 4.04,
 igr1= 379, 380,
 igr2= 382, 383,
 &end
#
# 26 LYS   QG    37   CYX   HB3   4.16 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 545, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,
 igr1= 382, 383,
 &end
#
# 26 LYS   HA    26   LYS   QG    4.10 
 &rst
  ixpk= 0, nxpk= 0, iat= 377,  -1, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
 igr2= 382, 383,
 &end
#
# 26 LYS   HA    26   LYS   QE    4.29 
 &rst
  ixpk= 0, nxpk= 0, iat= 377,  -1, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32,
 igr2= 388, 389,
 &end
#
# 22 LYS   HA    25   ASP   HA    3.47 
 &rst
  ixpk= 0, nxpk= 0, iat= 318, 365, r1= 1.30, r2= 1.80, r3= 3.47, r4= 3.97,  &end
#
# 18 LYS   QG    22   LYS   HA    5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 318, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 250, 251,
 &end
#
# 22 LYS   HA    24   GLU   HN    4.00 
 &rst
  ixpk= 0, nxpk= 0, iat= 318, 348, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
# 18 LYS   QD    22   LYS   HA    4.54 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 318, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
 igr1= 253, 254,
 &end
#
# 22 LYS   HA    26   LYS   QB    5.01 
 &rst
  ixpk= 0, nxpk= 0, iat= 318,  -1, r1= 1.30, r2= 1.80, r3= 5.62, r4= 6.12,
 igr2= 379, 380,
 &end
#
# 14 LYS   HN    14   LYS   QE    5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 192,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 205, 206,
 &end
#
# 14 LYS   HN    14   LYS   HG3   4.11 
 &rst
  ixpk= 0, nxpk= 0, iat= 192, 200, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,  &end
#
# 14 LYS   HN    14   LYS   HG2   4.11 
 &rst
  ixpk= 0, nxpk= 0, iat= 192, 199, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,  &end
#
# 13 VAL   HB    14   LYS   HN    3.79 
 &rst
  ixpk= 0, nxpk= 0, iat= 180, 192, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29,  &end
#
# 14 LYS   HN    14   LYS   QB    3.97 
 &rst
  ixpk= 0, nxpk= 0, iat= 192,  -1, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96,
 igr2= 196, 197,
 &end
#
# 13 VAL   QG1   14   LYS   HN    4.14 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 192, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47,
 igr1= 182, 183, 184,
 &end
#
# 13 VAL   QG2   14   LYS   HN    4.07 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 192, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39,
 igr1= 186, 187, 188,
 &end
#
# 14 LYS   HN    15   GLY   HN    3.42 
 &rst
  ixpk= 0, nxpk= 0, iat= 192, 214, r1= 1.30, r2= 1.80, r3= 3.42, r4= 3.92,  &end
#
#  8 PHE   HD    13   VAL   QG2   3.55 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,
 igr1= 112, 120,
 igr2= 186, 187, 188,
 &end
#
#  8 PHE   HD    33   THR   QG2   3.68 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,
 igr1= 112, 120,
 igr2= 478, 479, 480,
 &end
#
#  8 PHE   HB3   8    PHE   HD    3.22 
 &rst
  ixpk= 0, nxpk= 0, iat= 109,  -1, r1= 1.30, r2= 1.80, r3= 3.61, r4= 4.11,
 igr2= 112, 120,
 &end
#
#  8 PHE   HD    9    ALA   HN    3.98 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 124, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97,
 igr1= 112, 120,
 &end
#
#  8 PHE   HD    9    ALA   QB    3.13 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72,
 igr1= 112, 120,
 igr2= 128, 129, 130,
 &end
#
#  2 LYS   HN    2    LYS   HG3   5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  14,  22, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 29 ILE   HN    30   CYX   HN    4.44 
 &rst
  ixpk= 0, nxpk= 0, iat= 419, 438, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,  &end
#
# 29 ILE   HN    29   ILE   HB    3.40 
 &rst
  ixpk= 0, nxpk= 0, iat= 419, 423, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90,  &end
#
# 29 ILE   HN    36   LYS   HA    5.05 
 &rst
  ixpk= 0, nxpk= 0, iat= 419, 520, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,  &end
#
# 28 GLY   HA2   29   ILE   HN    2.93 
 &rst
  ixpk= 0, nxpk= 0, iat= 414, 419, r1= 1.30, r2= 1.80, r3= 2.93, r4= 3.43,  &end
#
# 28 GLY   HA3   29   ILE   HN    3.46 
 &rst
  ixpk= 0, nxpk= 0, iat= 415, 419, r1= 1.30, r2= 1.80, r3= 3.46, r4= 3.96,  &end
#
# 29 ILE   HN    31   HIS   HN    5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 419, 448, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 29 ILE   HN    29   ILE   QD1   4.29 
 &rst
  ixpk= 0, nxpk= 0, iat= 419,  -1, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,
 igr2= 432, 433, 434,
 &end
#
# 29 ILE   HN    31   HIS   HD2   4.97 
 &rst
  ixpk= 0, nxpk= 0, iat= 419, 461, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47,  &end
#
# 22 LYS   HB2   22   LYS   QE    4.29 
 &rst
  ixpk= 0, nxpk= 0, iat= 320,  -1, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32,
 igr2= 329, 330,
 &end
#
# 22 LYS   HB3   22   LYS   QE    5.43 
 &rst
  ixpk= 0, nxpk= 0, iat= 321,  -1, r1= 1.30, r2= 1.80, r3= 6.09, r4= 6.59,
 igr2= 329, 330,
 &end
#
# 34 LYS   HB3   34   LYS   QE    5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 491,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 499, 500,
 &end
#
# 22 LYS   HA    22   LYS   QE    4.51 
 &rst
  ixpk= 0, nxpk= 0, iat= 318,  -1, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,
 igr2= 329, 330,
 &end
#
# 31 HIS   HD2   36   LYS   HN    3.98 
 &rst
  ixpk= 0, nxpk= 0, iat= 461, 518, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48,  &end
#
# 31 HIS   HN    31   HIS   HD2   3.92 
 &rst
  ixpk= 0, nxpk= 0, iat= 448, 461, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42,  &end
#
# 31 HIS   HD2   36   LYS   QG    3.85 
 &rst
  ixpk= 0, nxpk= 0, iat= 461,  -1, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82,
 igr2= 525, 526,
 &end
#
# 29 ILE   QD1   31   HIS   HD2   3.18 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 461, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32,
 igr1= 432, 433, 434,
 &end
#
# 31 HIS   HD2   36   LYS   HB3   3.14 
 &rst
  ixpk= 0, nxpk= 0, iat= 461, 523, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,  &end
#
# 31 HIS   HD2   36   LYS   QD    4.77 
 &rst
  ixpk= 0, nxpk= 0, iat= 461,  -1, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85,
 igr2= 528, 529,
 &end
#
# 31 HIS   HA    31   HIS   HD2   4.77 
 &rst
  ixpk= 0, nxpk= 0, iat= 450, 461, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,  &end
#
# 31 HIS   HD2   36   LYS   HB2   3.14 
 &rst
  ixpk= 0, nxpk= 0, iat= 461, 522, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,  &end
#
#  8 PHE   HB2   13   VAL   QG2   3.53 
 &rst
  ixpk= 0, nxpk= 0, iat= 108,  -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr2= 186, 187, 188,
 &end
#
#  7 CYX   HA    13   VAL   QG2   4.49 
 &rst
  ixpk= 0, nxpk= 0, iat=  96,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr2= 186, 187, 188,
 &end
#
# 11 VAL   HB    13   VAL   QG2   3.22 
 &rst
  ixpk= 0, nxpk= 0, iat= 152,  -1, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37,
 igr2= 186, 187, 188,
 &end
#
# 12 ASP   HA    13   VAL   QG2   4.09 
 &rst
  ixpk= 0, nxpk= 0, iat= 166,  -1, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,
 igr2= 186, 187, 188,
 &end
#
# 12 ASP   HN    13   VAL   QG2   4.88 
 &rst
  ixpk= 0, nxpk= 0, iat= 164,  -1, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36,
 igr2= 186, 187, 188,
 &end
#
# 19 ARG   HN    19   ARG   HB2   3.62 
 &rst
  ixpk= 0, nxpk= 0, iat= 265, 269, r1= 1.30, r2= 1.80, r3= 3.62, r4= 4.12,  &end
#
#  5 PHE   HD    35   CYX   HB2   5.33 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 512, r1= 1.30, r2= 1.80, r3= 5.98, r4= 6.48,
 igr1=  75,  83,
 &end
#
# 21 CYX   HB2   22   LYS   HN    3.56 
 &rst
  ixpk= 0, nxpk= 0, iat= 310, 316, r1= 1.30, r2= 1.80, r3= 3.56, r4= 4.06,  &end
#
# 22 LYS   HN    22   LYS   HB2   2.74 
 &rst
  ixpk= 0, nxpk= 0, iat= 316, 320, r1= 1.30, r2= 1.80, r3= 2.74, r4= 3.24,  &end
#
# 22 LYS   HN    26   LYS   HN    4.51 
 &rst
  ixpk= 0, nxpk= 0, iat= 316, 375, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01,  &end
#
# 18 LYS   QG    22   LYS   HN    5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 316, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 250, 251,
 &end
#
# 22 LYS   HN    24   GLU   HN    4.21 
 &rst
  ixpk= 0, nxpk= 0, iat= 316, 348, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71,  &end
#
# 21 CYX   HN    22   LYS   HN    2.87 
 &rst
  ixpk= 0, nxpk= 0, iat= 306, 316, r1= 1.30, r2= 1.80, r3= 2.87, r4= 3.37,  &end
#
# 18 LYS   HA    22   LYS   HN    4.18 
 &rst
  ixpk= 0, nxpk= 0, iat= 245, 316, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68,  &end
#
# 22 LYS   HN    28   GLY   HA3   5.48 
 &rst
  ixpk= 0, nxpk= 0, iat= 316, 415, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98,  &end
#
# 22 LYS   HN    22   LYS   HB3   2.80 
 &rst
  ixpk= 0, nxpk= 0, iat= 316, 321, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
# 22 LYS   HN    22   LYS   HA    2.85 
 &rst
  ixpk= 0, nxpk= 0, iat= 316, 318, r1= 1.30, r2= 1.80, r3= 2.85, r4= 3.35,  &end
#
# 22 LYS   HN    22   LYS   QE    5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 316,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 329, 330,
 &end
#
# 20 HIS   HA    22   LYS   HN    4.76 
 &rst
  ixpk= 0, nxpk= 0, iat= 291, 316, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,  &end
#
# 21 CYX   HB3   22   LYS   HN    3.89 
 &rst
  ixpk= 0, nxpk= 0, iat= 311, 316, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39,  &end
#
# 22 LYS   HN    23   ALA   HN    2.88 
 &rst
  ixpk= 0, nxpk= 0, iat= 316, 338, r1= 1.30, r2= 1.80, r3= 2.88, r4= 3.38,  &end
#
# 18 LYS   QD    22   LYS   HN    5.06 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 316, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18,
 igr1= 253, 254,
 &end
#
# 22 LYS   HN    26   LYS   QB    5.26 
 &rst
  ixpk= 0, nxpk= 0, iat= 316,  -1, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,
 igr2= 379, 380,
 &end
#
# 19 ARG   HA    19   ARG   HD2   4.99 
 &rst
  ixpk= 0, nxpk= 0, iat= 267, 275, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49,  &end
#
# 11 VAL   QG1   13   VAL   QG1   2.80 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1= 154, 155, 156,
 igr2= 182, 183, 184,
 &end
#
# 11 VAL   HA    11   VAL   QG2   2.77 
 &rst
  ixpk= 0, nxpk= 0, iat= 150,  -1, r1= 1.30, r2= 1.80, r3= 3.33, r4= 3.83,
 igr2= 158, 159, 160,
 &end
#
# 41 ILE   QG2   41   ILE   HG13  2.68 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 598, r1= 1.30, r2= 1.80, r3= 3.22, r4= 3.72,
 igr1= 593, 594, 595,
 &end
#
#  4 GLN   HA    7    CYX   HB2   5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  52,  98, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 39 VAL   HA    39   VAL   HB    2.91 
 &rst
  ixpk= 0, nxpk= 0, iat= 559, 561, r1= 1.30, r2= 1.80, r3= 2.91, r4= 3.41,  &end
#
# 39 VAL   HA    40   PRO   HD2   2.72 
 &rst
  ixpk= 0, nxpk= 0, iat= 559, 574, r1= 1.30, r2= 1.80, r3= 2.72, r4= 3.22,  &end
#
# 39 VAL   HA    39   VAL   QG1   2.73 
 &rst
  ixpk= 0, nxpk= 0, iat= 559,  -1, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78,
 igr2= 563, 564, 565,
 &end
#
# 39 VAL   HA    40   PRO   HD3   2.43 
 &rst
  ixpk= 0, nxpk= 0, iat= 559, 575, r1= 1.30, r2= 1.80, r3= 2.43, r4= 2.93,  &end
#
# 39 VAL   HA    39   VAL   QG2   3.25 
 &rst
  ixpk= 0, nxpk= 0, iat= 559,  -1, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40,
 igr2= 567, 568, 569,
 &end
#
# 10 ASN   HN    32   GLY   HN    3.56 
 &rst
  ixpk= 0, nxpk= 0, iat= 134, 465, r1= 1.30, r2= 1.80, r3= 3.56, r4= 4.06,  &end
#
# 10 ASN   HN    33   THR   HN    4.91 
 &rst
  ixpk= 0, nxpk= 0, iat= 134, 472, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,  &end
#
#  9 ALA   HA    10   ASN   HN    3.01 
 &rst
  ixpk= 0, nxpk= 0, iat= 126, 134, r1= 1.30, r2= 1.80, r3= 3.01, r4= 3.51,  &end
#
# 10 ASN   HN    32   GLY   HA2   3.35 
 &rst
  ixpk= 0, nxpk= 0, iat= 134, 467, r1= 1.30, r2= 1.80, r3= 3.35, r4= 3.85,  &end
#
#  9 ALA   HN    10   ASN   HN    2.95 
 &rst
  ixpk= 0, nxpk= 0, iat= 124, 134, r1= 1.30, r2= 1.80, r3= 2.95, r4= 3.45,  &end
#
# 10 ASN   HN    32   GLY   HA3   4.31 
 &rst
  ixpk= 0, nxpk= 0, iat= 134, 468, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81,  &end
#
# 10 ASN   HN    31   HIS   HA    5.26 
 &rst
  ixpk= 0, nxpk= 0, iat= 134, 450, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76,  &end
#
# 10 ASN   HN    10   ASN   HB2   4.20 
 &rst
  ixpk= 0, nxpk= 0, iat= 134, 138, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,  &end
#
# 10 ASN   HN    10   ASN   HA    2.64 
 &rst
  ixpk= 0, nxpk= 0, iat= 134, 136, r1= 1.30, r2= 1.80, r3= 2.64, r4= 3.14,  &end
#
# 10 ASN   HN    11   VAL   HN    3.14 
 &rst
  ixpk= 0, nxpk= 0, iat= 134, 148, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,  &end
#
#  3 ASN   HA    3    ASN   HD22  5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  38,  46, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  3 ASN   HN    3    ASN   HD22  5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  36,  46, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  1 ALA   QB    2    LYS   HN    5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  14, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=   8,   9,  10,
 &end
#
# 18 LYS   HN    18   LYS   QG    4.67 
 &rst
  ixpk= 0, nxpk= 0, iat= 243,  -1, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,
 igr2= 250, 251,
 &end
#
# 17 CYX   HN    18   LYS   HN    3.83 
 &rst
  ixpk= 0, nxpk= 0, iat= 233, 243, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33,  &end
#
# 16 ASP   QB    18   LYS   HN    5.43 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 243, r1= 1.30, r2= 1.80, r3= 6.09, r4= 6.59,
 igr1= 225, 226,
 &end
#
# 17 CYX   HB3   18   LYS   HN    4.45 
 &rst
  ixpk= 0, nxpk= 0, iat= 238, 243, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95,  &end
#
# 16 ASP   HA    18   LYS   HN    4.76 
 &rst
  ixpk= 0, nxpk= 0, iat= 223, 243, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,  &end
#
# 18 LYS   HN    18   LYS   HB3   3.26 
 &rst
  ixpk= 0, nxpk= 0, iat= 243, 248, r1= 1.30, r2= 1.80, r3= 3.26, r4= 3.76,  &end
#
# 18 LYS   HN    18   LYS   HB2   3.26 
 &rst
  ixpk= 0, nxpk= 0, iat= 243, 247, r1= 1.30, r2= 1.80, r3= 3.26, r4= 3.76,  &end
#
# 18 LYS   HN    18   LYS   QD    4.60 
 &rst
  ixpk= 0, nxpk= 0, iat= 243,  -1, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
 igr2= 253, 254,
 &end
#
# 18 LYS   HN    18   LYS   QE    5.12 
 &rst
  ixpk= 0, nxpk= 0, iat= 243,  -1, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25,
 igr2= 256, 257,
 &end
#
# 18 LYS   HN    19   ARG   HN    3.86 
 &rst
  ixpk= 0, nxpk= 0, iat= 243, 265, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36,  &end
#
# 29 ILE   HN    29   ILE   HG12  4.64 
 &rst
  ixpk= 0, nxpk= 0, iat= 419, 429, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,  &end
#
#  7 CYX   HB3   30   CYX   QB    3.01 
 &rst
  ixpk= 0, nxpk= 0, iat=  99,  -1, r1= 1.30, r2= 1.80, r3= 3.38, r4= 3.88,
 igr2= 442, 443,
 &end
#
# 30 CYX   HN    30   CYX   QB    2.73 
 &rst
  ixpk= 0, nxpk= 0, iat= 438,  -1, r1= 1.30, r2= 1.80, r3= 3.06, r4= 3.56,
 igr2= 442, 443,
 &end
#
#  7 CYX   HA    30   CYX   QB    4.03 
 &rst
  ixpk= 0, nxpk= 0, iat=  96,  -1, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02,
 igr2= 442, 443,
 &end
#
# 30 CYX   QB    31   HIS   HN    3.70 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 448, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65,
 igr1= 442, 443,
 &end
#
#  7 CYX   HB2   30   CYX   QB    3.62 
 &rst
  ixpk= 0, nxpk= 0, iat=  98,  -1, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56,
 igr2= 442, 443,
 &end
#
# 10 ASN   HN    30   CYX   QB    4.05 
 &rst
  ixpk= 0, nxpk= 0, iat= 134,  -1, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05,
 igr2= 442, 443,
 &end
#
# 10 ASN   HA    30   CYX   QB    3.18 
 &rst
  ixpk= 0, nxpk= 0, iat= 136,  -1, r1= 1.30, r2= 1.80, r3= 3.57, r4= 4.07,
 igr2= 442, 443,
 &end
#
# 11 VAL   HN    30   CYX   QB    4.07 
 &rst
  ixpk= 0, nxpk= 0, iat= 148,  -1, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07,
 igr2= 442, 443,
 &end
#
# 19 ARG   HA    23   ALA   HN    4.34 
 &rst
  ixpk= 0, nxpk= 0, iat= 267, 338, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84,  &end
#
# 23 ALA   HN    23   ALA   QB    2.42 
 &rst
  ixpk= 0, nxpk= 0, iat= 338,  -1, r1= 1.30, r2= 1.80, r3= 2.91, r4= 3.41,
 igr2= 342, 343, 344,
 &end
#
#  8 PHE   HD    13   VAL   QG1   4.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 112, 120,
 igr2= 182, 183, 184,
 &end
#
# 21 CYX   HN    23   ALA   HN    4.28 
 &rst
  ixpk= 0, nxpk= 0, iat= 306, 338, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78,  &end
#
# 21 CYX   HA    23   ALA   HN    4.16 
 &rst
  ixpk= 0, nxpk= 0, iat= 308, 338, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66,  &end
#
#  8 PHE   HA    8    PHE   HD    3.24 
 &rst
  ixpk= 0, nxpk= 0, iat= 106,  -1, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14,
 igr2= 112, 120,
 &end
#
# 22 LYS   HB3   23   ALA   HN    3.35 
 &rst
  ixpk= 0, nxpk= 0, iat= 321, 338, r1= 1.30, r2= 1.80, r3= 3.35, r4= 3.85,  &end
#
#  4 GLN   HN    4    GLN   HE21  5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  50,  62, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  4 GLN   HG3   4    GLN   HE21  3.44 
 &rst
  ixpk= 0, nxpk= 0, iat=  58,  62, r1= 1.30, r2= 1.80, r3= 3.44, r4= 3.94,  &end
#
# 10 ASN   HA    31   HIS   HA    4.14 
 &rst
  ixpk= 0, nxpk= 0, iat= 136, 450, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64,  &end
#
# 44 LEU   HN    44   LEU   HG    5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 638, 645, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 44 LEU   HN    44   LEU   QQD   5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 638, 644, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 43 TYR   HN    44   LEU   HN    4.90 
 &rst
  ixpk= 0, nxpk= 0, iat= 617, 638, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,  &end
#
#  5 PHE   HB2   7    CYX   HA    5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  71,  96, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  5 PHE   HB2   5    PHE   HE    4.92 
 &rst
  ixpk= 0, nxpk= 0, iat=  71,  -1, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02,
 igr2=  77,  81,
 &end
#
#  5 PHE   HE    34   LYS   QE    5.35 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1=  77,  81,
 igr2= 499, 500,
 &end
#
#  5 PHE   HZ    34   LYS   QE    5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  79,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 499, 500,
 &end
#
#  5 PHE   HN    5    PHE   HB2   3.62 
 &rst
  ixpk= 0, nxpk= 0, iat=  67,  71, r1= 1.30, r2= 1.80, r3= 3.62, r4= 4.12,  &end
#
# 16 ASP   QB    18   LYS   QD    5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 225, 226,
 igr2= 253, 254,
 &end
#
# 18 LYS   HB3   18   LYS   QD    3.69 
 &rst
  ixpk= 0, nxpk= 0, iat= 248,  -1, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64,
 igr2= 253, 254,
 &end
#
# 18 LYS   HB2   18   LYS   QD    3.69 
 &rst
  ixpk= 0, nxpk= 0, iat= 247,  -1, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64,
 igr2= 253, 254,
 &end
#
# 18 LYS   QD    22   LYS   HB3   4.14 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 321, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,
 igr1= 253, 254,
 &end
#
# 18 LYS   QD    22   LYS   QE    4.08 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
 igr1= 253, 254,
 igr2= 329, 330,
 &end
#
#  8 PHE   HB2   33   THR   HA    4.43 
 &rst
  ixpk= 0, nxpk= 0, iat= 108, 474, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93,  &end
#
#  7 CYX   HA    11   VAL   HN    4.78 
 &rst
  ixpk= 0, nxpk= 0, iat=  96, 148, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28,  &end
#
# 11 VAL   HN    11   VAL   QG1   4.06 
 &rst
  ixpk= 0, nxpk= 0, iat= 148,  -1, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,
 igr2= 154, 155, 156,
 &end
#
# 11 VAL   HN    11   VAL   HB    3.09 
 &rst
  ixpk= 0, nxpk= 0, iat= 148, 152, r1= 1.30, r2= 1.80, r3= 3.09, r4= 3.59,  &end
#
# 11 VAL   HN    11   VAL   QG2   3.10 
 &rst
  ixpk= 0, nxpk= 0, iat= 148,  -1, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22,
 igr2= 158, 159, 160,
 &end
#
#  8 PHE   HN    15   GLY   HN    5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 104, 214, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  8 PHE   HE    33   THR   QG2   3.77 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,
 igr1= 114, 118,
 igr2= 478, 479, 480,
 &end
#
#  8 PHE   HB3   8    PHE   HE    4.70 
 &rst
  ixpk= 0, nxpk= 0, iat= 109,  -1, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
 igr2= 114, 118,
 &end
#
#  8 PHE   HB2   8    PHE   HE    4.96 
 &rst
  ixpk= 0, nxpk= 0, iat= 108,  -1, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07,
 igr2= 114, 118,
 &end
#
#  8 PHE   HE    9    ALA   QB    3.78 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
 igr1= 114, 118,
 igr2= 128, 129, 130,
 &end
#
# 22 LYS   HB3   22   LYS   HD2   4.22 
 &rst
  ixpk= 0, nxpk= 0, iat= 321, 326, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72,  &end
#
# 41 ILE   HA    41   ILE   QD1   3.73 
 &rst
  ixpk= 0, nxpk= 0, iat= 589,  -1, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98,
 igr2= 600, 601, 602,
 &end
#
# 41 ILE   HA    41   ILE   HG13  3.67 
 &rst
  ixpk= 0, nxpk= 0, iat= 589, 598, r1= 1.30, r2= 1.80, r3= 3.67, r4= 4.17,  &end
#
# 41 ILE   HA    41   ILE   QG2   3.74 
 &rst
  ixpk= 0, nxpk= 0, iat= 589,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2= 593, 594, 595,
 &end
#
# 27 GLU   HA    28   GLY   HA3   4.79 
 &rst
  ixpk= 0, nxpk= 0, iat= 399, 415, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,  &end
#
# 28 GLY   HA3   29   ILE   HA    5.14 
 &rst
  ixpk= 0, nxpk= 0, iat= 415, 421, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,  &end
#
# 17 CYX   HA    20   HIS   HN    3.40 
 &rst
  ixpk= 0, nxpk= 0, iat= 235, 289, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90,  &end
#
# 20 HIS   HN    21   CYX   HN    2.96 
 &rst
  ixpk= 0, nxpk= 0, iat= 289, 306, r1= 1.30, r2= 1.80, r3= 2.96, r4= 3.46,  &end
#
# 19 ARG   HB2   20   HIS   HN    3.98 
 &rst
  ixpk= 0, nxpk= 0, iat= 269, 289, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48,  &end
#
# 20 HIS   HN    22   LYS   HN    4.04 
 &rst
  ixpk= 0, nxpk= 0, iat= 289, 316, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,  &end
#
# 19 ARG   HN    20   HIS   HN    3.34 
 &rst
  ixpk= 0, nxpk= 0, iat= 265, 289, r1= 1.30, r2= 1.80, r3= 3.34, r4= 3.84,  &end
#
#  4 GLN   HE22  6    GLY   HN    5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  63,  87, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  5 PHE   HD    6    GLY   HN    5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  87, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=  75,  83,
 &end
#
#  5 PHE   HA    5    PHE   HD    5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  69,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=  75,  83,
 &end
#
#  5 PHE   HD    35   CYX   HB3   3.70 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 513, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65,
 igr1=  75,  83,
 &end
#
#  4 GLN   HE22  7    CYX   HN    5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  63,  94, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  5 PHE   HD    7    CYX   HN    5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  94, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=  75,  83,
 &end
#
#  5 PHE   HN    5    PHE   HD    5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  67,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=  75,  83,
 &end
#
#  5 PHE   HD    35   CYX   HB2   5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 512, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=  75,  83,
 &end
#
# 22 LYS   HA    41   ILE   QG2   3.66 
 &rst
  ixpk= 0, nxpk= 0, iat= 318,  -1, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,
 igr2= 593, 594, 595,
 &end
#
# 27 GLU   HA    41   ILE   QG2   4.24 
 &rst
  ixpk= 0, nxpk= 0, iat= 399,  -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
 igr2= 593, 594, 595,
 &end
#
# 27 GLU   HB3   28   GLY   HN    4.07 
 &rst
  ixpk= 0, nxpk= 0, iat= 402, 412, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57,  &end
#
# 27 GLU   HB3   39   VAL   HN    4.72 
 &rst
  ixpk= 0, nxpk= 0, iat= 402, 557, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,  &end
#
#  4 GLN   HA    4    GLN   HG2   3.92 
 &rst
  ixpk= 0, nxpk= 0, iat=  52,  57, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42,  &end
#
#  4 GLN   HA    4    GLN   HE21  5.24 
 &rst
  ixpk= 0, nxpk= 0, iat=  52,  62, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,  &end
#
#  4 GLN   HA    4    GLN   HG3   3.87 
 &rst
  ixpk= 0, nxpk= 0, iat=  52,  58, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37,  &end
#
# 36 LYS   HB2   37   CYX   HN    4.76 
 &rst
  ixpk= 0, nxpk= 0, iat= 522, 540, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,  &end
#
# 19 ARG   HB2   19   ARG   QG    2.94 
 &rst
  ixpk= 0, nxpk= 0, iat= 269,  -1, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,
 igr2= 272, 273,
 &end
#
# 19 ARG   HN    19   ARG   HE    5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 265, 278, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 17 CYX   HA    19   ARG   HN    4.13 
 &rst
  ixpk= 0, nxpk= 0, iat= 235, 265, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63,  &end
#
# 18 LYS   QG    19   ARG   HN    5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 265, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 250, 251,
 &end
#
# 19 ARG   HN    19   ARG   HD3   5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 265, 276, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 19 ARG   HN    19   ARG   HD2   5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 265, 275, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  5 PHE   HB3   17   CYX   HA    3.55 
 &rst
  ixpk= 0, nxpk= 0, iat=  72, 235, r1= 1.30, r2= 1.80, r3= 3.55, r4= 4.05,  &end
#
#  5 PHE   HB3   6    GLY   HN    5.12 
 &rst
  ixpk= 0, nxpk= 0, iat=  72,  87, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,  &end
#
#  5 PHE   HB3   5    PHE   HE    4.88 
 &rst
  ixpk= 0, nxpk= 0, iat=  72,  -1, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98,
 igr2=  77,  81,
 &end
#
#  5 PHE   HB3   20   HIS   HD2   4.87 
 &rst
  ixpk= 0, nxpk= 0, iat=  72, 302, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37,  &end
#
#  5 PHE   HN    5    PHE   HB3   4.08 
 &rst
  ixpk= 0, nxpk= 0, iat=  67,  72, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58,  &end
#
#  5 PHE   HB3   35   CYX   HB2   3.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  72, 512, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
# 24 GLU   HB2   26   LYS   HN    4.57 
 &rst
  ixpk= 0, nxpk= 0, iat= 352, 375, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07,  &end
#
# 27 GLU   HA    38   GLY   HA3   5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 399, 553, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  9 ALA   QB    10   ASN   HN    3.75 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 134, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,
 igr1= 128, 129, 130,
 &end
#
#  9 ALA   QB    11   VAL   HN    4.11 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 148, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
 igr1= 128, 129, 130,
 &end
#
# 39 VAL   HN    39   VAL   HB    3.68 
 &rst
  ixpk= 0, nxpk= 0, iat= 557, 561, r1= 1.30, r2= 1.80, r3= 3.68, r4= 4.18,  &end
#
# 39 VAL   HN    40   PRO   HD2   4.79 
 &rst
  ixpk= 0, nxpk= 0, iat= 557, 574, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,  &end
#
# 38 GLY   HA2   39   VAL   HN    3.16 
 &rst
  ixpk= 0, nxpk= 0, iat= 552, 557, r1= 1.30, r2= 1.80, r3= 3.16, r4= 3.66,  &end
#
# 39 VAL   HN    39   VAL   QG1   2.85 
 &rst
  ixpk= 0, nxpk= 0, iat= 557,  -1, r1= 1.30, r2= 1.80, r3= 3.42, r4= 3.92,
 igr2= 563, 564, 565,
 &end
#
# 38 GLY   HN    39   VAL   HN    4.32 
 &rst
  ixpk= 0, nxpk= 0, iat= 550, 557, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82,  &end
#
# 39 VAL   HN    39   VAL   QG2   2.59 
 &rst
  ixpk= 0, nxpk= 0, iat= 557,  -1, r1= 1.30, r2= 1.80, r3= 3.11, r4= 3.61,
 igr2= 567, 568, 569,
 &end
#
# 38 GLY   HA3   39   VAL   HN    2.65 
 &rst
  ixpk= 0, nxpk= 0, iat= 553, 557, r1= 1.30, r2= 1.80, r3= 2.65, r4= 3.15,  &end
#
#  2 LYS   HN    2    LYS   QB    3.69 
 &rst
  ixpk= 0, nxpk= 0, iat=  14,  -1, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64,
 igr2=  18,  19,
 &end
#
#  2 LYS   HA    2    LYS   QG    3.40 
 &rst
  ixpk= 0, nxpk= 0, iat=  16,  -1, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32,
 igr2=  21,  22,
 &end
#
#  2 LYS   QB    2    LYS   QD    2.44 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.07, r4= 3.57,
 igr1=  18,  19,
 igr2=  24,  25,
 &end
#
#  2 LYS   QB    2    LYS   QE    3.54 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96,
 igr1=  18,  19,
 igr2=  27,  28,
 &end
#
#  2 LYS   QG    2    LYS   QE    3.41 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,
 igr1=  21,  22,
 igr2=  27,  28,
 &end
#
#  2 LYS   QG    3    ASN   QD2   4.03 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,
 igr1=  21,  22,
 igr2=  45,  46,
 &end
#
#  3 ASN   HA    3    ASN   QD2   4.71 
 &rst
  ixpk= 0, nxpk= 0, iat=  38,  -1, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79,
 igr2=  45,  46,
 &end
#
#  3 ASN   QB    3    ASN   QD2   3.36 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73,
 igr1=  40,  41,
 igr2=  45,  46,
 &end
#
#  4 GLN   HN    4    GLN   QB    3.38 
 &rst
  ixpk= 0, nxpk= 0, iat=  50,  -1, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29,
 igr2=  54,  55,
 &end
#
#  4 GLN   QB    4    GLN   HE21  4.54 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  62, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
 igr1=  54,  55,
 &end
#
#  4 GLN   HG3   6    GLY   QA    3.82 
 &rst
  ixpk= 0, nxpk= 0, iat=  58,  -1, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79,
 igr2=  89,  90,
 &end
#
#  7 CYX   HN    17   CYX   QB    5.34 
 &rst
  ixpk= 0, nxpk= 0, iat=  94,  -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
 igr2= 237, 238,
 &end
#
# 10 ASN   HN    10   ASN   QB    3.66 
 &rst
  ixpk= 0, nxpk= 0, iat= 134,  -1, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,
 igr2= 138, 139,
 &end
#
# 10 ASN   QB    10   ASN   HD21  2.79 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 143, r1= 1.30, r2= 1.80, r3= 3.13, r4= 3.63,
 igr1= 138, 139,
 &end
#
# 10 ASN   QB    10   ASN   HD22  3.31 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 144, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22,
 igr1= 138, 139,
 &end
#
# 10 ASN   QB    32   GLY   HN    4.95 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 465, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
 igr1= 138, 139,
 &end
#
# 12 ASP   HN    12   ASP   QB    3.09 
 &rst
  ixpk= 0, nxpk= 0, iat= 164,  -1, r1= 1.30, r2= 1.80, r3= 3.47, r4= 3.97,
 igr2= 168, 169,
 &end
#
# 13 VAL   HB    14   LYS   QG    3.90 
 &rst
  ixpk= 0, nxpk= 0, iat= 180,  -1, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,
 igr2= 199, 200,
 &end
#
# 14 LYS   HN    14   LYS   QG    3.60 
 &rst
  ixpk= 0, nxpk= 0, iat= 192,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr2= 199, 200,
 &end
#
# 14 LYS   HN    14   LYS   QD    4.00 
 &rst
  ixpk= 0, nxpk= 0, iat= 192,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2= 202, 203,
 &end
#
# 14 LYS   HA    14   LYS   QD    4.07 
 &rst
  ixpk= 0, nxpk= 0, iat= 194,  -1, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07,
 igr2= 202, 203,
 &end
#
# 14 LYS   QB    14   LYS   QD    2.87 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.62, r4= 4.12,
 igr1= 196, 197,
 igr2= 202, 203,
 &end
#
# 16 ASP   QB    18   LYS   QB    5.34 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 225, 226,
 igr2= 247, 248,
 &end
#
# 17 CYX   HN    17   CYX   QB    3.61 
 &rst
  ixpk= 0, nxpk= 0, iat= 233,  -1, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55,
 igr2= 237, 238,
 &end
#
# 17 CYX   HA    19   ARG   QB    4.72 
 &rst
  ixpk= 0, nxpk= 0, iat= 235,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr2= 269, 270,
 &end
#
# 17 CYX   QB    18   LYS   HN    3.83 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 243, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,
 igr1= 237, 238,
 &end
#
# 17 CYX   QB    19   ARG   HN    5.34 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 265, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
 igr1= 237, 238,
 &end
#
# 17 CYX   QB    35   CYX   HB2   3.99 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 512, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98,
 igr1= 237, 238,
 &end
#
# 18 LYS   HN    18   LYS   QB    2.83 
 &rst
  ixpk= 0, nxpk= 0, iat= 243,  -1, r1= 1.30, r2= 1.80, r3= 3.18, r4= 3.68,
 igr2= 247, 248,
 &end
#
# 18 LYS   QB    18   LYS   QD    2.91 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.67, r4= 4.17,
 igr1= 247, 248,
 igr2= 253, 254,
 &end
#
# 18 LYS   QB    18   LYS   QE    3.54 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96,
 igr1= 247, 248,
 igr2= 256, 257,
 &end
#
# 18 LYS   QB    19   ARG   HN    4.22 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 265, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,
 igr1= 247, 248,
 &end
#
# 19 ARG   HN    19   ARG   QB    3.15 
 &rst
  ixpk= 0, nxpk= 0, iat= 265,  -1, r1= 1.30, r2= 1.80, r3= 3.54, r4= 4.04,
 igr2= 269, 270,
 &end
#
# 19 ARG   HA    19   ARG   QD    4.31 
 &rst
  ixpk= 0, nxpk= 0, iat= 267,  -1, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,
 igr2= 275, 276,
 &end
#
# 19 ARG   QB    19   ARG   QD    2.92 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.68, r4= 4.18,
 igr1= 269, 270,
 igr2= 275, 276,
 &end
#
# 19 ARG   QB    19   ARG   HE    3.49 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 278, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42,
 igr1= 269, 270,
 &end
#
# 19 ARG   QB    20   HIS   HN    3.21 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 289, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr1= 269, 270,
 &end
#
# 19 ARG   QB    20   HIS   QB    5.32 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.70, r4= 7.20,
 igr1= 269, 270,
 igr2= 293, 294,
 &end
#
# 22 LYS   HN    22   LYS   QG    4.31 
 &rst
  ixpk= 0, nxpk= 0, iat= 316,  -1, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,
 igr2= 323, 324,
 &end
#
# 22 LYS   HN    22   LYS   QD    5.34 
 &rst
  ixpk= 0, nxpk= 0, iat= 316,  -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
 igr2= 326, 327,
 &end
#
# 22 LYS   HA    22   LYS   QG    3.54 
 &rst
  ixpk= 0, nxpk= 0, iat= 318,  -1, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47,
 igr2= 323, 324,
 &end
#
# 22 LYS   HA    22   LYS   QD    4.44 
 &rst
  ixpk= 0, nxpk= 0, iat= 318,  -1, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48,
 igr2= 326, 327,
 &end
#
# 22 LYS   HB2   22   LYS   QD    3.67 
 &rst
  ixpk= 0, nxpk= 0, iat= 320,  -1, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62,
 igr2= 326, 327,
 &end
#
# 23 ALA   HN    24   GLU   QG    4.44 
 &rst
  ixpk= 0, nxpk= 0, iat= 338,  -1, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48,
 igr2= 355, 356,
 &end
#
# 23 ALA   QB    24   GLU   QG    3.31 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96,
 igr1= 342, 343, 344,
 igr2= 355, 356,
 &end
#
# 24 GLU   HN    24   GLU   QG    3.04 
 &rst
  ixpk= 0, nxpk= 0, iat= 348,  -1, r1= 1.30, r2= 1.80, r3= 3.41, r4= 3.91,
 igr2= 355, 356,
 &end
#
# 24 GLU   HA    24   GLU   QG    3.44 
 &rst
  ixpk= 0, nxpk= 0, iat= 350,  -1, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36,
 igr2= 355, 356,
 &end
#
# 24 GLU   QG    25   ASP   HN    5.19 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 363, r1= 1.30, r2= 1.80, r3= 5.83, r4= 6.33,
 igr1= 355, 356,
 &end
#
# 27 GLU   HN    27   GLU   QG    3.85 
 &rst
  ixpk= 0, nxpk= 0, iat= 397,  -1, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82,
 igr2= 404, 405,
 &end
#
# 27 GLU   HA    27   GLU   QG    2.76 
 &rst
  ixpk= 0, nxpk= 0, iat= 399,  -1, r1= 1.30, r2= 1.80, r3= 3.10, r4= 3.60,
 igr2= 404, 405,
 &end
#
# 27 GLU   QG    28   GLY   HN    4.78 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 412, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,
 igr1= 404, 405,
 &end
#
# 27 GLU   QG    41   ILE   HA    4.39 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 589, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43,
 igr1= 404, 405,
 &end
#
# 31 HIS   HN    31   HIS   QB    3.47 
 &rst
  ixpk= 0, nxpk= 0, iat= 448,  -1, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39,
 igr2= 452, 453,
 &end
#
# 31 HIS   HD2   36   LYS   QB    2.73 
 &rst
  ixpk= 0, nxpk= 0, iat= 461,  -1, r1= 1.30, r2= 1.80, r3= 3.06, r4= 3.56,
 igr2= 522, 523,
 &end
#
# 34 LYS   HN    34   LYS   QD    4.23 
 &rst
  ixpk= 0, nxpk= 0, iat= 486,  -1, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25,
 igr2= 496, 497,
 &end
#
# 34 LYS   HA    34   LYS   QD    3.61 
 &rst
  ixpk= 0, nxpk= 0, iat= 488,  -1, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55,
 igr2= 496, 497,
 &end
#
# 34 LYS   HB3   34   LYS   QD    3.59 
 &rst
  ixpk= 0, nxpk= 0, iat= 491,  -1, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53,
 igr2= 496, 497,
 &end
#
# 34 LYS   HG3   34   LYS   QD    2.51 
 &rst
  ixpk= 0, nxpk= 0, iat= 494,  -1, r1= 1.30, r2= 1.80, r3= 2.82, r4= 3.32,
 igr2= 496, 497,
 &end
#
# 34 LYS   QD    35   CYX   HN    4.08 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 508, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
 igr1= 496, 497,
 &end
#
# 36 LYS   QB    36   LYS   QD    2.75 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.46, r4= 3.96,
 igr1= 522, 523,
 igr2= 528, 529,
 &end
#
# 36 LYS   QB    36   LYS   QE    4.20 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79,
 igr1= 522, 523,
 igr2= 531, 532,
 &end
#
# 39 VAL   HA    40   PRO   QG    4.40 
 &rst
  ixpk= 0, nxpk= 0, iat= 559,  -1, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
 igr2= 577, 578,
 &end
#
# 40 PRO   QB    41   ILE   HN    3.64 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 587, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59,
 igr1= 580, 581,
 &end
#
# 42 SER   HN    42   SER   QB    3.04 
 &rst
  ixpk= 0, nxpk= 0, iat= 606,  -1, r1= 1.30, r2= 1.80, r3= 3.41, r4= 3.91,
 igr2= 610, 611,
 &end
#
# 42 SER   HA    42   SER   QB    2.62 
 &rst
  ixpk= 0, nxpk= 0, iat= 608,  -1, r1= 1.30, r2= 1.80, r3= 2.94, r4= 3.44,
 igr2= 610, 611,
 &end
#
# 42 SER   QB    43   TYR   HN    3.82 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 617, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79,
 igr1= 610, 611,
 &end
#
# 43 TYR   HN    43   TYR   QB    3.23 
 &rst
  ixpk= 0, nxpk= 0, iat= 617,  -1, r1= 1.30, r2= 1.80, r3= 3.63, r4= 4.13,
 igr2= 621, 622,
 &end
#
# 43 TYR   QB    43   TYR   HE    4.71 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43,
 igr1= 621, 622,
 igr2= 627, 632,
 &end
#
# 43 TYR   QB    43   TYR   HD    3.27 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62,
 igr1= 621, 622,
 igr2= 625, 634,
 &end
#
# 43 TYR   QB    44   LEU   HN    4.31 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 638, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,
 igr1= 621, 622,
 &end


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