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
488480 2l2k cing 1-original 3 AMBER distance NOE simple


#
#   30 CYT   H1'    50 MET  QE        6.0
 &rst
  ixpk= 0, nxpk= 0, iat= 948,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,

      rk2=50.0, rk3=50.0, ir6=1, ialtd=0,
 igr2=1458,1459,1460,
 &end
#
#   29 CYT   H1'    50 MET  QE        4.0
 &rst
  ixpk= 0, nxpk= 0, iat= 917,  -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr2=1458,1459,1460,
 &end
#
#   28 CYT   H1'    50 MET  QE        4.0
 &rst
  ixpk= 0, nxpk= 0, iat= 886,  -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr2=1458,1459,1460,
 &end
#
#   15 ADE   H1'    50 MET  QE        5.0
 &rst
  ixpk= 0, nxpk= 0, iat= 472,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2=1458,1459,1460,
 &end
#
#   16 ADE   H2     50 MET  QE        5.0
 &rst
  ixpk= 0, nxpk= 0, iat= 517,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2=1458,1459,1460,
 &end
#
#   28 CYT   H2'    50 MET  QE        6.0
 &rst
  ixpk= 0, nxpk= 0, iat= 902,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr2=1458,1459,1460,
 &end
#
#   29 CYT   H4'    49 VAL  HB        5.0
 &rst
  ixpk= 0, nxpk= 0, iat= 914,1435, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   29 CYT   Q5'    49 VAL  HB        5.0
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1435, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 911, 912,
 &end
#
#   30 CYT   Q5'    49 VAL  HB        5.0
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1435, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 942, 943,
 &end
#
#   29 CYT   H4'    49 VAL  QQG       4.0
 &rst
  ixpk= 0, nxpk= 0, iat= 914,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr2=1437,1438,1439,1441,1442,1443,
 &end
#
#   29 CYT   Q5'    49 VAL  QQG       4.0
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
 igr1= 911, 912,
 igr2=1437,1438,1439,1441,1442,1443,
 &end
#
#   30 CYT   Q5'    49 VAL  QQG       5.5
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 942, 943,
 igr2=1437,1438,1439,1441,1442,1443,
 &end
#
#   37 CYT   H1'    70 SER  QB        4.0
 &rst
  ixpk= 0, nxpk= 0, iat=1168,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2=1771,1772,
 &end
#
#   38 CYT   H1'    70 SER  QB        3.5
 &rst
  ixpk= 0, nxpk= 0, iat=1199,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1771,1772,
 &end
#
#    5 ADE   H2     70 SER  QB        6.0
 &rst
  ixpk= 0, nxpk= 0, iat= 153,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2=1771,1772,
 &end
#
#   38 CYT   H1'    71 HIS  QB        4.0
 &rst
  ixpk= 0, nxpk= 0, iat=1199,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2=1782,1783,
 &end
#
#   17 RU    H1'    54 GLU  QG        4.0
 &rst
  ixpk= 0, nxpk= 0, iat= 538,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2=1523,1524,
 &end
#
#   17 RU    H4'    54 GLU  QG        5.0
 &rst
  ixpk= 0, nxpk= 0, iat= 535,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=1523,1524,
 &end
#
#   17 RU    H3'    54 GLU  QG        7.0
 &rst
  ixpk= 0, nxpk= 0, iat= 551,  -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr2=1523,1524,
 &end
#
#   29 CYT   Q5'    97 LYS  QE        5.0
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 911, 912,
 igr2=2190,2191,
 &end
#
#   29 CYT   H4'    97 LYS  QE        5.0
 &rst
  ixpk= 0, nxpk= 0, iat= 914,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=2190,2191,
 &end
#
#   29 CYT   H3'    97 LYS  QE        6.0
 &rst
  ixpk= 0, nxpk= 0, iat= 931,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2=2190,2191,
 &end
#
#   30 CYT   Q5'    94 LYS  QE        6.0
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 942, 943,
 igr2=2139,2140,
 &end
#
#   30 CYT   H4'    94 LYS  QE        5.0
 &rst
  ixpk= 0, nxpk= 0, iat= 945,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=2139,2140,
 &end
#
#   30 CYT   Q5'    94 LYS  QD        6.0
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 942, 943,
 igr2=2136,2137,
 &end
#
#   30 CYT   H4'    94 LYS  QD        7.0
 &rst
  ixpk= 0, nxpk= 0, iat= 945,  -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr2=2136,2137,
 &end
#
#    8 RU    Q5'    93 LYS  QE        4.0
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1= 236, 237,
 igr2=2117,2118,
 &end
#
#    8 RU    H4'    93 LYS  QE        5.0
 &rst
  ixpk= 0, nxpk= 0, iat= 239,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=2117,2118,
 &end
#
#    8 RU    Q5'    93 LYS  QD        6.0
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 236, 237,
 igr2=2114,2115,
 &end
#
#    8 RU    H4'    93 LYS  QD        7.0
 &rst
  ixpk= 0, nxpk= 0, iat= 239,  -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr2=2114,2115,
 &end
#
#    7 GUA   H5'    92 ASN  HA        5.0
 &rst
  ixpk= 0, nxpk= 0, iat= 202,2092, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    7 GUA   H5''   92 ASN  HA        5.0
 &rst
  ixpk= 0, nxpk= 0, iat= 203,2092, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    7 GUA   Q5'    75 PHE  HE        5.0
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 202, 203,
 igr2=1848,1852,
 &end
#
#    7 GUA   H4'    75 PHE  HE        4.0
 &rst
  ixpk= 0, nxpk= 0, iat= 205,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2=1848,1852,
 &end
#
#    8 RU    Q5'    75 PHE  HE        5.0
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 236, 237,
 igr2=1848,1852,
 &end
#
#    7 GUA   Q5'    91 ARG  QB        6.0
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 202, 203,
 igr2=2070,2071,
 &end
#
#    7 GUA   H4'    91 ARG  QB        4.0
 &rst
  ixpk= 0, nxpk= 0, iat= 205,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2=2070,2071,
 &end
#
#   48 PRO   HA     50 MET  H        4.51
 &rst
  ixpk= 0, nxpk= 0, iat=1427,1447, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01,  &end
#
#   49 VAL   HB     50 MET  H        3.58
 &rst
  ixpk= 0, nxpk= 0, iat=1435,1447, r1= 1.30, r2= 1.80, r3= 3.58, r4= 4.08,  &end
#
#   49 VAL   QG1    50 MET  H        4.03
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1447, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,
 igr1=1437,1438,1439,
 &end
#
#   49 VAL   QG1    50 MET  HA       4.48
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1449, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88,
 igr1=1437,1438,1439,
 &end
#
#   49 VAL   QG1    50 MET  QE       4.49
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.48, r4= 6.98,
 igr1=1437,1438,1439,
 igr2=1458,1459,1460,
 &end
#
#   50 MET   H      50 MET  HB2      3.51
 &rst
  ixpk= 0, nxpk= 0, iat=1447,1451, r1= 1.30, r2= 1.80, r3= 3.51, r4= 4.01,  &end
#
#   50 MET   H      50 MET  HG2      4.65
 &rst
  ixpk= 0, nxpk= 0, iat=1447,1454, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,  &end
#
#   50 MET   H      50 MET  HG3      4.60
 &rst
  ixpk= 0, nxpk= 0, iat=1447,1455, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,  &end
#
#   50 MET   H      51 ILE  H        3.94
 &rst
  ixpk= 0, nxpk= 0, iat=1447,1464, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44,  &end
#
#   50 MET   H      51 ILE  QD1      5.49
 &rst
  ixpk= 0, nxpk= 0, iat=1447,  -1, r1= 1.30, r2= 1.80, r3= 6.59, r4= 7.09,
 igr2=1477,1478,1479,
 &end
#
#   50 MET   HA     50 MET  HG2      4.24
 &rst
  ixpk= 0, nxpk= 0, iat=1449,1454, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,  &end
#
#   50 MET   HA     50 MET  HG3      4.17
 &rst
  ixpk= 0, nxpk= 0, iat=1449,1455, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67,  &end
#
#   50 MET   HA     50 MET  QE       3.80
 &rst
  ixpk= 0, nxpk= 0, iat=1449,  -1, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06,
 igr2=1458,1459,1460,
 &end
#
#   50 MET   HA     53 ASN  H        4.15
 &rst
  ixpk= 0, nxpk= 0, iat=1449,1502, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65,  &end
#
#   50 MET   HA     53 ASN  HB2      3.69
 &rst
  ixpk= 0, nxpk= 0, iat=1449,1506, r1= 1.30, r2= 1.80, r3= 3.69, r4= 4.19,  &end
#
#   50 MET   HA     53 ASN  HB3      3.63
 &rst
  ixpk= 0, nxpk= 0, iat=1449,1507, r1= 1.30, r2= 1.80, r3= 3.63, r4= 4.13,  &end
#
#   50 MET   HA     54 GLU  H        4.64
 &rst
  ixpk= 0, nxpk= 0, iat=1449,1516, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,  &end
#
#   50 MET   HB2    51 ILE  H        4.38
 &rst
  ixpk= 0, nxpk= 0, iat=1451,1464, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,  &end
#
#   50 MET   HG2    51 ILE  H        5.34
 &rst
  ixpk= 0, nxpk= 0, iat=1454,1464, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,  &end
#
#   50 MET   HG3    50 MET  QE       4.53
 &rst
  ixpk= 0, nxpk= 0, iat=1455,  -1, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94,
 igr2=1458,1459,1460,
 &end
#
#   75 PHE   QB     92 ASN  HA       4.60
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2092, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
 igr1=1842,1843,
 &end
#
#   75 PHE   HD     91 ARG  HA       4.27
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2068, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,
 igr1=1846,1854,
 &end
#
#   75 PHE   HD     92 ASN  H        4.87
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2090, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
 igr1=1846,1854,
 &end
#
#   75 PHE   HD     92 ASN  HA       3.58
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2092, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52,
 igr1=1846,1854,
 &end
#
#   75 PHE   HD     92 ASN  QB       4.61
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31,
 igr1=1846,1854,
 igr2=2094,2095,
 &end
#
#   75 PHE   HD     93 LYS  HA       5.16
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2106, r1= 1.30, r2= 1.80, r3= 5.79, r4= 6.29,
 igr1=1846,1854,
 &end
#
#   75 PHE   HE     91 ARG  HA       4.88
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2068, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98,
 igr1=1848,1852,
 &end
#
#   75 PHE   HE     91 ARG  QB       4.74
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.97, r4= 6.47,
 igr1=1848,1852,
 igr2=2070,2071,
 &end
#
#   75 PHE   HE     92 ASN  H        4.94
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2090, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,
 igr1=1848,1852,
 &end
#
#   75 PHE   HE     92 ASN  HA       3.64
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2092, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59,
 igr1=1848,1852,
 &end
#
#   91 ARG   H      92 ASN  H        5.07
 &rst
  ixpk= 0, nxpk= 0, iat=2066,2090, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,  &end
#
#   91 ARG   HA     91 ARG  QD       4.62
 &rst
  ixpk= 0, nxpk= 0, iat=2068,  -1, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,
 igr2=2076,2077,
 &end
#
#   91 ARG   HB2    91 ARG  QD       3.80
 &rst
  ixpk= 0, nxpk= 0, iat=2070,  -1, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,
 igr2=2076,2077,
 &end
#
#   91 ARG   HB3    91 ARG  QD       3.84
 &rst
  ixpk= 0, nxpk= 0, iat=2071,  -1, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81,
 igr2=2076,2077,
 &end
#
#   91 ARG   HB3    95 LEU  QD1      5.13
 &rst
  ixpk= 0, nxpk= 0, iat=2071,  -1, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66,
 igr2=2157,2158,2159,
 &end
#
#   91 ARG   QB     91 ARG  QD       3.87
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,
 igr1=2070,2071,
 igr2=2076,2077,
 &end
#
#   91 ARG   QB     92 ASN  H        4.36
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2090, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39,
 igr1=2070,2071,
 &end
#
#   91 ARG   QD     95 LEU  HG       4.39
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2155, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43,
 igr1=2076,2077,
 &end
#
#   91 ARG   QD     95 LEU  QD1      4.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=2076,2077,
 igr2=2157,2158,2159,
 &end
#
#   92 ASN   H      92 ASN  QB       4.11
 &rst
  ixpk= 0, nxpk= 0, iat=2090,  -1, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,
 igr2=2094,2095,
 &end
#
#   92 ASN   H      95 LEU  H        4.55
 &rst
  ixpk= 0, nxpk= 0, iat=2090,2148, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05,  &end
#
#   92 ASN   H      95 LEU  HB3      4.22
 &rst
  ixpk= 0, nxpk= 0, iat=2090,2153, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72,  &end
#
#   92 ASN   H      95 LEU  QD1      4.01
 &rst
  ixpk= 0, nxpk= 0, iat=2090,  -1, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32,
 igr2=2157,2158,2159,
 &end
#
#   92 ASN   H      96 ALA  H        4.17
 &rst
  ixpk= 0, nxpk= 0, iat=2090,2167, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67,  &end
#
#   92 ASN   HA     93 LYS  QB       4.68
 &rst
  ixpk= 0, nxpk= 0, iat=2092,  -1, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75,
 igr2=2108,2109,
 &end
#
#   92 ASN   HND1   95 LEU  H        5.29
 &rst
  ixpk= 0, nxpk= 0, iat=2099,2148, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79,  &end
#
#   92 ASN   HND1   95 LEU  HB2      4.11
 &rst
  ixpk= 0, nxpk= 0, iat=2099,2152, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,  &end
#
#   92 ASN   HND1   95 LEU  HB3      4.76
 &rst
  ixpk= 0, nxpk= 0, iat=2099,2153, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,  &end
#
#   92 ASN   HND1   95 LEU  HG       4.96
 &rst
  ixpk= 0, nxpk= 0, iat=2099,2155, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,  &end
#
#   92 ASN   HND1   95 LEU  QD2      4.92
 &rst
  ixpk= 0, nxpk= 0, iat=2099,  -1, r1= 1.30, r2= 1.80, r3= 5.91, r4= 6.41,
 igr2=2161,2162,2163,
 &end
#
#   92 ASN   HND2   95 LEU  QD2      5.50
 &rst
  ixpk= 0, nxpk= 0, iat=2100,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=2161,2162,2163,
 &end
#
#   93 LYS   QB     94 LYS  H        3.87
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2126, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84,
 igr1=2108,2109,
 &end
#
#   94 LYS   H      94 LYS  HG2      5.42
 &rst
  ixpk= 0, nxpk= 0, iat=2126,2133, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,  &end
#
#   94 LYS   H      94 LYS  QB       3.16
 &rst
  ixpk= 0, nxpk= 0, iat=2126,  -1, r1= 1.30, r2= 1.80, r3= 3.55, r4= 4.05,
 igr2=2130,2131,
 &end
#
#   94 LYS   H      95 LEU  H        3.82
 &rst
  ixpk= 0, nxpk= 0, iat=2126,2148, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32,  &end
#
#   94 LYS   HA     94 LYS  HG2      3.81
 &rst
  ixpk= 0, nxpk= 0, iat=2128,2133, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31,  &end
#
#   94 LYS   HA     94 LYS  HG3      3.78
 &rst
  ixpk= 0, nxpk= 0, iat=2128,2134, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,  &end
#
#   94 LYS   HA     94 LYS  QD       4.89
 &rst
  ixpk= 0, nxpk= 0, iat=2128,  -1, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99,
 igr2=2136,2137,
 &end
#
#   94 LYS   HA     94 LYS  QE       5.23
 &rst
  ixpk= 0, nxpk= 0, iat=2128,  -1, r1= 1.30, r2= 1.80, r3= 5.87, r4= 6.37,
 igr2=2139,2140,
 &end
#
#   94 LYS   HA     97 LYS  HB3      3.53
 &rst
  ixpk= 0, nxpk= 0, iat=2128,2182, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,  &end
#
#   94 LYS   HA     97 LYS  QD       4.42
 &rst
  ixpk= 0, nxpk= 0, iat=2128,  -1, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,
 igr2=2187,2188,
 &end
#
#   94 LYS   HA     98 ALA  H        4.94
 &rst
  ixpk= 0, nxpk= 0, iat=2128,2199, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,  &end
#
#   94 LYS   HG2    94 LYS  QE       3.87
 &rst
  ixpk= 0, nxpk= 0, iat=2133,  -1, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84,
 igr2=2139,2140,
 &end
#
#   94 LYS   QB     94 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=2130,2131,
 igr2=2139,2140,
 &end
#
#   94 LYS   QB     95 LEU  H        3.31
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2148, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22,
 igr1=2130,2131,
 &end
#
#   94 LYS   QB     95 LEU  HA       3.90
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2150, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,
 igr1=2130,2131,
 &end
#
#   97 LYS   H      97 LYS  HB3      3.52
 &rst
  ixpk= 0, nxpk= 0, iat=2177,2182, r1= 1.30, r2= 1.80, r3= 3.52, r4= 4.02,  &end
#
#   97 LYS   H      97 LYS  HG2      4.54
 &rst
  ixpk= 0, nxpk= 0, iat=2177,2184, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,  &end
#
#   97 LYS   H      98 ALA  H        4.16
 &rst
  ixpk= 0, nxpk= 0, iat=2177,2199, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66,  &end
#
#   97 LYS   HA     97 LYS  HB3      2.93
 &rst
  ixpk= 0, nxpk= 0, iat=2179,2182, r1= 1.30, r2= 1.80, r3= 2.93, r4= 3.43,  &end
#
#   97 LYS   HA     97 LYS  HG2      3.82
 &rst
  ixpk= 0, nxpk= 0, iat=2179,2184, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32,  &end
#
#   97 LYS   HA     97 LYS  QD       4.02
 &rst
  ixpk= 0, nxpk= 0, iat=2179,  -1, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01,
 igr2=2187,2188,
 &end
#
#   97 LYS   HA    100 ALA  H        4.57
 &rst
  ixpk= 0, nxpk= 0, iat=2179,2233, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07,  &end
#
#   97 LYS   HA    100 ALA  QB       4.02
 &rst
  ixpk= 0, nxpk= 0, iat=2179,  -1, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
 igr2=2237,2238,2239,
 &end
#
#   97 LYS   HA    101 ALA  H        4.98
 &rst
  ixpk= 0, nxpk= 0, iat=2179,2243, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48,  &end
#
#   97 LYS   HA    101 ALA  QB       3.79
 &rst
  ixpk= 0, nxpk= 0, iat=2179,  -1, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05,
 igr2=2247,2248,2249,
 &end
#
#   97 LYS   HB3    97 LYS  QD       4.04
 &rst
  ixpk= 0, nxpk= 0, iat=2182,  -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
 igr2=2187,2188,
 &end
#
#   97 LYS   HB3    98 ALA  HA       4.49
 &rst
  ixpk= 0, nxpk= 0, iat=2182,2201, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,  &end
#
#   97 LYS   HE3   101 ALA  QB       4.23
 &rst
  ixpk= 0, nxpk= 0, iat=2191,  -1, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,
 igr2=2247,2248,2249,
 &end
#
#   97 LYS   HG2    97 LYS  HE3      4.20
 &rst
  ixpk= 0, nxpk= 0, iat=2184,2191, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,  &end
#
#   97 LYS   HG3    98 ALA  H        5.50
 &rst
  ixpk= 0, nxpk= 0, iat=2185,2199, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   49 VAL   HA     97 LYS  QD       4.83
 &rst
  ixpk= 0, nxpk= 0, iat=1433,  -1, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,
 igr2=2187,2188,
 &end
#
#   49 VAL   QG1    97 LYS  HE3      5.18
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2191, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
 igr1=1437,1438,1439,
 &end
#
#   61 TYR   HB3    97 LYS  HE3      5.50
 &rst
  ixpk= 0, nxpk= 0, iat=1641,2191, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   61 TYR   HB3    97 LYS  QD       5.15
 &rst
  ixpk= 0, nxpk= 0, iat=1641,  -1, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28,
 igr2=2187,2188,
 &end
#
#   61 TYR   HD     97 LYS  HA       4.47
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2179, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52,
 igr1=1644,1653,
 &end
#
#   61 TYR   HD     97 LYS  HE3      5.12
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2191, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25,
 igr1=1644,1653,
 &end
#
#   61 TYR   HD     97 LYS  HG2      4.02
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2184, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01,
 igr1=1644,1653,
 &end
#
#   61 TYR   HD     97 LYS  QD       4.95
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.24, r4= 6.74,
 igr1=1644,1653,
 igr2=2187,2188,
 &end
#
#   61 TYR   HE     97 LYS  HA       3.84
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2179, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81,
 igr1=1646,1651,
 &end
#
#   61 TYR   HE     97 LYS  HB3      4.96
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2182, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07,
 igr1=1646,1651,
 &end
#
#   61 TYR   HE     97 LYS  HE2      4.85
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2190, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94,
 igr1=1646,1651,
 &end
#
#   61 TYR   HE     97 LYS  HE3      5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2191, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1646,1651,
 &end
#
#   61 TYR   HE     97 LYS  HG2      3.58
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2184, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52,
 igr1=1646,1651,
 &end
#
#   61 TYR   HE     97 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=1646,1651,
 igr2=2187,2188,
 &end
#
#   63 PHE   HE     66 GLU  H        4.95
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1719, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
 igr1=1679,1683,
 &end
#
#   63 PHE   HE     65 SER  HA       4.44
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1710, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48,
 igr1=1679,1683,
 &end
#
#   63 PHE   HE     65 SER  QB       5.27
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.64, r4= 7.14,
 igr1=1679,1683,
 igr2=1712,1713,
 &end
#
#   65 SER   H      76 VAL  H        5.50
 &rst
  ixpk= 0, nxpk= 0, iat=1708,1858, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   65 SER   HA     65 SER  QB       2.92
 &rst
  ixpk= 0, nxpk= 0, iat=1710,  -1, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78,
 igr2=1712,1713,
 &end
#
#   65 SER   HA     66 GLU  H        3.40
 &rst
  ixpk= 0, nxpk= 0, iat=1710,1719, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90,  &end
#
#   65 SER   HA     66 GLU  HA       4.75
 &rst
  ixpk= 0, nxpk= 0, iat=1710,1721, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25,  &end
#
#   65 SER   HA     66 GLU  QG       4.55
 &rst
  ixpk= 0, nxpk= 0, iat=1710,  -1, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61,
 igr2=1726,1727,
 &end
#
#   65 SER   QB     66 GLU  H        3.65
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1719, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,
 igr1=1712,1713,
 &end
#
#   65 SER   QB     66 GLU  HA       5.24
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1721, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
 igr1=1712,1713,
 &end
#
#   65 SER   QB     66 GLU  QG       4.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1712,1713,
 igr2=1726,1727,
 &end
#
#   66 GLU   H      66 GLU  HB3      3.98
 &rst
  ixpk= 0, nxpk= 0, iat=1719,1724, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48,  &end
#
#   66 GLU   H      66 GLU  HG2      3.97
 &rst
  ixpk= 0, nxpk= 0, iat=1719,1726, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47,  &end
#
#   66 GLU   HA     75 PHE  HD       5.50
 &rst
  ixpk= 0, nxpk= 0, iat=1721,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1846,1854,
 &end
#
#   66 GLU   HA     75 PHE  HA       3.00
 &rst
  ixpk= 0, nxpk= 0, iat=1721,1840, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   66 GLU   HA     73 LYS  QE       5.00
 &rst
  ixpk= 0, nxpk= 0, iat=1721,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=1818,1819,
 &end
#
#   66 GLU   HB2    75 PHE  HA       4.31
 &rst
  ixpk= 0, nxpk= 0, iat=1723,1840, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81,  &end
#
#   66 GLU   HB2    75 PHE  HD       4.00
 &rst
  ixpk= 0, nxpk= 0, iat=1723,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2=1846,1854,
 &end
#
#   66 GLU   HB2    75 PHE  HE       4.00
 &rst
  ixpk= 0, nxpk= 0, iat=1723,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2=1848,1852,
 &end
#
#   66 GLU   HB3    75 PHE  HD       4.00
 &rst
  ixpk= 0, nxpk= 0, iat=1724,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2=1846,1854,
 &end
#
#   66 GLU   HG2    75 PHE  HD       4.00
 &rst
  ixpk= 0, nxpk= 0, iat=1726,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2=1846,1854,
 &end
#
#   66 GLU   HG2    75 PHE  HE       4.23
 &rst
  ixpk= 0, nxpk= 0, iat=1726,  -1, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25,
 igr2=1848,1852,
 &end
#
#   66 GLU   HB3    73 LYS  QE       4.00
 &rst
  ixpk= 0, nxpk= 0, iat=1724,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2=1818,1819,
 &end
#
#   66 GLU   HB2    73 LYS  QE       4.00
 &rst
  ixpk= 0, nxpk= 0, iat=1723,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2=1818,1819,
 &end
#
#   66 GLU   HG2    73 LYS  QE       4.00
 &rst
  ixpk= 0, nxpk= 0, iat=1726,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2=1818,1819,
 &end
#
#   66 GLU   HG3    73 LYS  QE       4.00
 &rst
  ixpk= 0, nxpk= 0, iat=1727,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2=1818,1819,
 &end
#
#   66 GLU   H      67 SER  HA       5.45
 &rst
  ixpk= 0, nxpk= 0, iat=1719,1736, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95,  &end
#
#   66 GLU   HG2    67 SER  H        5.28
 &rst
  ixpk= 0, nxpk= 0, iat=1726,1734, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,  &end
#
#   66 GLU   HB3    67 SER  H        5.17
 &rst
  ixpk= 0, nxpk= 0, iat=1724,1734, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67,  &end
#
#   67 SER   H      74 SER  H        5.21
 &rst
  ixpk= 0, nxpk= 0, iat=1734,1827, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71,  &end
#
#   67 SER   H      74 SER  QB       5.13
 &rst
  ixpk= 0, nxpk= 0, iat=1734,  -1, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26,
 igr2=1831,1832,
 &end
#
#   67 SER   HA     67 SER  QB       2.75
 &rst
  ixpk= 0, nxpk= 0, iat=1736,  -1, r1= 1.30, r2= 1.80, r3= 3.09, r4= 3.59,
 igr2=1738,1739,
 &end
#
#   67 SER   HA     73 LYS  QE       6.00
 &rst
  ixpk= 0, nxpk= 0, iat=1736,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2=1818,1819,
 &end
#
#   68 GLY   HA3    69 GLU  HA       4.54
 &rst
  ixpk= 0, nxpk= 0, iat=1748,1754, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,  &end
#
#   68 GLY   HA2    69 GLU  HA       5.00
 &rst
  ixpk= 0, nxpk= 0, iat=1747,1754, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   68 GLY   HA3    69 GLU  QG       5.35
 &rst
  ixpk= 0, nxpk= 0, iat=1748,  -1, r1= 1.30, r2= 1.80, r3= 6.01, r4= 6.51,
 igr2=1759,1760,
 &end
#
#   68 GLY   HA2    69 GLU  QG       5.00
 &rst
  ixpk= 0, nxpk= 0, iat=1747,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=1759,1760,
 &end
#
#   68 GLY   QA     73 LYS  HA       3.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1807, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1747,1748,
 &end
#
#   68 GLY   QA     73 LYS  QE       5.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1=1747,1748,
 igr2=1818,1819,
 &end
#
#   68 GLY   HA2    72 ALA  QB       5.00
 &rst
  ixpk= 0, nxpk= 0, iat=1747,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2=1799,1800,1801,
 &end
#
#   68 GLY   HA3    72 ALA  QB       5.00
 &rst
  ixpk= 0, nxpk= 0, iat=1748,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2=1799,1800,1801,
 &end
#
#   69 GLU   H      69 GLU  QG       5.02
 &rst
  ixpk= 0, nxpk= 0, iat=1752,  -1, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13,
 igr2=1759,1760,
 &end
#
#   69 GLU   HA     69 GLU  QG       3.04
 &rst
  ixpk= 0, nxpk= 0, iat=1754,  -1, r1= 1.30, r2= 1.80, r3= 3.41, r4= 3.91,
 igr2=1759,1760,
 &end
#
#   69 GLU   HB2    69 GLU  QG       2.71
 &rst
  ixpk= 0, nxpk= 0, iat=1756,  -1, r1= 1.30, r2= 1.80, r3= 3.04, r4= 3.54,
 igr2=1759,1760,
 &end
#
#   70 SER   QB     69 GLU  QB       5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1771,1772,
 igr2=1756,1757,
 &end
#
#   71 HIS   HD2    72 ALA  QB       4.59
 &rst
  ixpk= 0, nxpk= 0, iat=1791,  -1, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01,
 igr2=1799,1800,1801,
 &end
#
#   71 HIS   HE1    72 ALA  QB       6.00
 &rst
  ixpk= 0, nxpk= 0, iat=1788,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr2=1799,1800,1801,
 &end
#
#   71 HIS   HE1    69 GLU  HA       5.00
 &rst
  ixpk= 0, nxpk= 0, iat=1788,1754, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   71 HIS   HE1    69 GLU  QB       5.00
 &rst
  ixpk= 0, nxpk= 0, iat=1788,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=1756,1757,
 &end
#
#   71 HIS   HE1    69 GLU  QG       4.00
 &rst
  ixpk= 0, nxpk= 0, iat=1788,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2=1759,1760,
 &end
#
#   71 HIS   QB     72 ALA  HA       4.99
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1797, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,
 igr1=1782,1783,
 &end
#
#   71 HIS   QB     72 ALA  QB       5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1782,1783,
 igr2=1799,1800,1801,
 &end
#
#   71 HIS   QB     71 HIS  HD2      4.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1791, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1782,1783,
 &end
#
#   72 ALA   QB     73 LYS  HA       4.74
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1807, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
 igr1=1799,1800,1801,
 &end
#
#   73 LYS   H      73 LYS  QG       5.20
 &rst
  ixpk= 0, nxpk= 0, iat=1805,  -1, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
 igr2=1812,1813,
 &end
#
#   73 LYS   HA     73 LYS  QB       2.80
 &rst
  ixpk= 0, nxpk= 0, iat=1807,  -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr2=1809,1810,
 &end
#
#   73 LYS   HA     73 LYS  QD       3.87
 &rst
  ixpk= 0, nxpk= 0, iat=1807,  -1, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84,
 igr2=1815,1816,
 &end
#
#   73 LYS   HA     73 LYS  QE       3.95
 &rst
  ixpk= 0, nxpk= 0, iat=1807,  -1, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93,
 igr2=1818,1819,
 &end
#
#   73 LYS   HA     73 LYS  QG       3.78
 &rst
  ixpk= 0, nxpk= 0, iat=1807,  -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr2=1812,1813,
 &end
#
#   73 LYS   HA     75 PHE  HE       4.92
 &rst
  ixpk= 0, nxpk= 0, iat=1807,  -1, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02,
 igr2=1848,1852,
 &end
#
#   73 LYS   HB3    73 LYS  QD       3.58
 &rst
  ixpk= 0, nxpk= 0, iat=1810,  -1, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52,
 igr2=1815,1816,
 &end
#
#   73 LYS   HB3    74 SER  H        5.10
 &rst
  ixpk= 0, nxpk= 0, iat=1810,1827, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,  &end
#
#   73 LYS   HB3    75 PHE  HE       3.93
 &rst
  ixpk= 0, nxpk= 0, iat=1810,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr2=1848,1852,
 &end
#
#   73 LYS   QB     73 LYS  QD       3.26
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,
 igr1=1809,1810,
 igr2=1815,1816,
 &end
#
#   73 LYS   QE     75 PHE  HE       4.36
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99,
 igr1=1818,1819,
 igr2=1848,1852,
 &end
#
#   73 LYS   QG     74 SER  H        4.78
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1827, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,
 igr1=1812,1813,
 &end
#
#   73 LYS   QG     75 PHE  HZ       4.35
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1850, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,
 igr1=1812,1813,
 &end
#
#   73 LYS   QG     75 PHE  HD       4.69
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.91, r4= 6.41,
 igr1=1812,1813,
 igr2=1846,1854,
 &end
#
#   73 LYS   QG     75 PHE  HE       4.99
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.29, r4= 6.79,
 igr1=1812,1813,
 igr2=1848,1852,
 &end
#
#   74 SER   H      74 SER  QB       3.97
 &rst
  ixpk= 0, nxpk= 0, iat=1827,  -1, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96,
 igr2=1831,1832,
 &end
#
#   74 SER   H      75 PHE  H        5.07
 &rst
  ixpk= 0, nxpk= 0, iat=1827,1838, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,  &end
#
#   74 SER   HA     75 PHE  H        3.47
 &rst
  ixpk= 0, nxpk= 0, iat=1829,1838, r1= 1.30, r2= 1.80, r3= 3.47, r4= 3.97,  &end
#
#   74 SER   HA     75 PHE  HD       4.38
 &rst
  ixpk= 0, nxpk= 0, iat=1829,  -1, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,
 igr2=1846,1854,
 &end
#
#   74 SER   HA     75 PHE  HE       4.94
 &rst
  ixpk= 0, nxpk= 0, iat=1829,  -1, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,
 igr2=1848,1852,
 &end
#
#   74 SER   HA     90 GLY  H        4.50
 &rst
  ixpk= 0, nxpk= 0, iat=1829,2059, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   74 SER   QB     75 PHE  H        4.20
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1838, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
 igr1=1831,1832,
 &end
#
#   74 SER   QB     75 PHE  HD       5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1831,1832,
 igr2=1846,1854,
 &end
#
#   74 SER   QB     76 VAL  QG1      4.97
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.70, r4= 7.20,
 igr1=1831,1832,
 igr2=1864,1865,1866,
 &end
#
#   74 SER   QB     89 SER  HA       5.35
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2050, r1= 1.30, r2= 1.80, r3= 6.01, r4= 6.51,
 igr1=1831,1832,
 &end
#
#   74 SER   QB     89 SER  QB       4.21
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1=1831,1832,
 igr2=2052,2053,
 &end
#
#   47 ASN   HA     48 PRO  HG3      4.71
 &rst
  ixpk= 0, nxpk= 0, iat=1405,1422, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,  &end
#
#   47 ASN   HA     98 ALA  QB       4.60
 &rst
  ixpk= 0, nxpk= 0, iat=1405,  -1, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02,
 igr2=2203,2204,2205,
 &end
#
#   47 ASN   HB2    48 PRO  HD3      4.18
 &rst
  ixpk= 0, nxpk= 0, iat=1407,1419, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68,  &end
#
#   47 ASN   HB3    48 PRO  HD2      5.39
 &rst
  ixpk= 0, nxpk= 0, iat=1408,1418, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,  &end
#
#   48 PRO   HA     51 ILE  H        4.13
 &rst
  ixpk= 0, nxpk= 0, iat=1427,1464, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63,  &end
#
#   48 PRO   HA     51 ILE  HB       4.39
 &rst
  ixpk= 0, nxpk= 0, iat=1427,1468, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89,  &end
#
#   48 PRO   HA     51 ILE  QD1      3.65
 &rst
  ixpk= 0, nxpk= 0, iat=1427,  -1, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,
 igr2=1477,1478,1479,
 &end
#
#   48 PRO   HA     51 ILE  QG2      4.08
 &rst
  ixpk= 0, nxpk= 0, iat=1427,  -1, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,
 igr2=1470,1471,1472,
 &end
#
#   48 PRO   HA    113 LEU  QD1      3.97
 &rst
  ixpk= 0, nxpk= 0, iat=1427,  -1, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,
 igr2=2429,2430,2431,
 &end
#
#   48 PRO   HA    113 LEU  QD2      3.96
 &rst
  ixpk= 0, nxpk= 0, iat=1427,  -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
 igr2=2433,2434,2435,
 &end
#
#   48 PRO   HD2    98 ALA  QB       5.05
 &rst
  ixpk= 0, nxpk= 0, iat=1418,  -1, r1= 1.30, r2= 1.80, r3= 6.06, r4= 6.56,
 igr2=2203,2204,2205,
 &end
#
#   48 PRO   HD3    98 ALA  QB       4.95
 &rst
  ixpk= 0, nxpk= 0, iat=1419,  -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
 igr2=2203,2204,2205,
 &end
#
#   48 PRO   HD3   113 LEU  QD2      5.50
 &rst
  ixpk= 0, nxpk= 0, iat=1419,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=2433,2434,2435,
 &end
#
#   48 PRO   HG2    98 ALA  HA       3.49
 &rst
  ixpk= 0, nxpk= 0, iat=1421,2201, r1= 1.30, r2= 1.80, r3= 3.49, r4= 3.99,  &end
#
#   48 PRO   HG2   102 GLN  HB3      4.16
 &rst
  ixpk= 0, nxpk= 0, iat=1421,2258, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66,  &end
#
#   48 PRO   HG2   113 LEU  QD2      4.10
 &rst
  ixpk= 0, nxpk= 0, iat=1421,  -1, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,
 igr2=2433,2434,2435,
 &end
#
#   48 PRO   HG3    49 VAL  H        4.30
 &rst
  ixpk= 0, nxpk= 0, iat=1422,1431, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,  &end
#
#   48 PRO   HG3    98 ALA  HA       3.68
 &rst
  ixpk= 0, nxpk= 0, iat=1422,2201, r1= 1.30, r2= 1.80, r3= 3.68, r4= 4.18,  &end
#
#   48 PRO   HG3    98 ALA  QB       4.28
 &rst
  ixpk= 0, nxpk= 0, iat=1422,  -1, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
 igr2=2203,2204,2205,
 &end
#
#   48 PRO   QB    102 GLN  H        3.71
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2253, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66,
 igr1=1424,1425,
 &end
#
#   48 PRO   QB    102 GLN  HA       4.13
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2255, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,
 igr1=1424,1425,
 &end
#
#   48 PRO   QB    113 LEU  QD1      3.58
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
 igr1=1424,1425,
 igr2=2429,2430,2431,
 &end
#
#   48 PRO   QB    113 LEU  QD2      3.93
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1=1424,1425,
 igr2=2433,2434,2435,
 &end
#
#   49 VAL   H      49 VAL  HB       3.30
 &rst
  ixpk= 0, nxpk= 0, iat=1431,1435, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
#   49 VAL   H      49 VAL  QG2      3.47
 &rst
  ixpk= 0, nxpk= 0, iat=1431,  -1, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67,
 igr2=1441,1442,1443,
 &end
#
#   49 VAL   H      50 MET  H        3.77
 &rst
  ixpk= 0, nxpk= 0, iat=1431,1447, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,  &end
#
#   49 VAL   H      51 ILE  QD1      5.50
 &rst
  ixpk= 0, nxpk= 0, iat=1431,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1477,1478,1479,
 &end
#
#   49 VAL   H     101 ALA  QB       4.31
 &rst
  ixpk= 0, nxpk= 0, iat=1431,  -1, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68,
 igr2=2247,2248,2249,
 &end
#
#   49 VAL   HA     49 VAL  QG2      3.21
 &rst
  ixpk= 0, nxpk= 0, iat=1433,  -1, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36,
 igr2=1441,1442,1443,
 &end
#
#   49 VAL   HA     52 LEU  H        4.70
 &rst
  ixpk= 0, nxpk= 0, iat=1433,1483, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,  &end
#
#   49 VAL   HA     52 LEU  HB3      5.31
 &rst
  ixpk= 0, nxpk= 0, iat=1433,1488, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,  &end
#
#   49 VAL   HA     52 LEU  QD2      5.00
 &rst
  ixpk= 0, nxpk= 0, iat=1433,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2=1496,1497,1498,
 &end
#
#   49 VAL   HA     53 ASN  H        4.90
 &rst
  ixpk= 0, nxpk= 0, iat=1433,1502, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,  &end
#
#   49 VAL   HA     98 ALA  HA       5.30
 &rst
  ixpk= 0, nxpk= 0, iat=1433,2201, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,  &end
#
#   49 VAL   HA    101 ALA  HA       5.48
 &rst
  ixpk= 0, nxpk= 0, iat=1433,2245, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98,  &end
#
#   49 VAL   HA    101 ALA  QB       3.66
 &rst
  ixpk= 0, nxpk= 0, iat=1433,  -1, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,
 igr2=2247,2248,2249,
 &end
#
#   49 VAL   QG1    53 ASN  HND1     5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1511, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=1437,1438,1439,
 &end
#
#   49 VAL   QG1    53 ASN  HND2     5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1512, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=1437,1438,1439,
 &end
#
#   49 VAL   QG2    98 ALA  H        4.19
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2199, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,
 igr1=1441,1442,1443,
 &end
#
#   49 VAL   QG2    98 ALA  HA       3.33
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2201, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
 igr1=1441,1442,1443,
 &end
#
#   51 ILE   H      51 ILE  QD1      4.17
 &rst
  ixpk= 0, nxpk= 0, iat=1464,  -1, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51,
 igr2=1477,1478,1479,
 &end
#
#   51 ILE   H      51 ILE  QG1      4.28
 &rst
  ixpk= 0, nxpk= 0, iat=1464,  -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr2=1474,1475,
 &end
#
#   51 ILE   H      52 LEU  H        4.15
 &rst
  ixpk= 0, nxpk= 0, iat=1464,1483, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65,  &end
#
#   51 ILE   HA     51 ILE  QD1      4.34
 &rst
  ixpk= 0, nxpk= 0, iat=1466,  -1, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71,
 igr2=1477,1478,1479,
 &end
#
#   51 ILE   HA     51 ILE  QG1      4.16
 &rst
  ixpk= 0, nxpk= 0, iat=1466,  -1, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,
 igr2=1474,1475,
 &end
#
#   51 ILE   HA     51 ILE  QG2      3.73
 &rst
  ixpk= 0, nxpk= 0, iat=1466,  -1, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98,
 igr2=1470,1471,1472,
 &end
#
#   51 ILE   HA     54 GLU  H        4.35
 &rst
  ixpk= 0, nxpk= 0, iat=1466,1516, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85,  &end
#
#   51 ILE   HA     54 GLU  HB3      4.54
 &rst
  ixpk= 0, nxpk= 0, iat=1466,1521, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,  &end
#
#   51 ILE   HA     55 LEU  H        4.87
 &rst
  ixpk= 0, nxpk= 0, iat=1466,1531, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37,  &end
#
#   51 ILE   HA     55 LEU  QD1      5.24
 &rst
  ixpk= 0, nxpk= 0, iat=1466,  -1, r1= 1.30, r2= 1.80, r3= 6.29, r4= 6.79,
 igr2=1540,1541,1542,
 &end
#
#   51 ILE   HB     51 ILE  QD1      3.95
 &rst
  ixpk= 0, nxpk= 0, iat=1468,  -1, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,
 igr2=1477,1478,1479,
 &end
#
#   51 ILE   HB     52 LEU  H        4.31
 &rst
  ixpk= 0, nxpk= 0, iat=1468,1483, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81,  &end
#
#   51 ILE   HB     55 LEU  H        5.40
 &rst
  ixpk= 0, nxpk= 0, iat=1468,1531, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,  &end
#
#   51 ILE   HB     55 LEU  QD1      5.50
 &rst
  ixpk= 0, nxpk= 0, iat=1468,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1540,1541,1542,
 &end
#
#   51 ILE   QD1    52 LEU  H        4.11
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1483, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
 igr1=1477,1478,1479,
 &end
#
#   51 ILE   QD1    52 LEU  HB2      4.84
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1487, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31,
 igr1=1477,1478,1479,
 &end
#
#   51 ILE   QD1    55 LEU  QD1      5.30
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
 igr1=1477,1478,1479,
 igr2=1540,1541,1542,
 &end
#
#   51 ILE   QG2    55 LEU  QD1      4.30
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70,
 igr1=1470,1471,1472,
 igr2=1540,1541,1542,
 &end
#
#   52 LEU   H      52 LEU  HB2      3.86
 &rst
  ixpk= 0, nxpk= 0, iat=1483,1487, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36,  &end
#
#   52 LEU   H      52 LEU  HB3      3.67
 &rst
  ixpk= 0, nxpk= 0, iat=1483,1488, r1= 1.30, r2= 1.80, r3= 3.67, r4= 4.17,  &end
#
#   52 LEU   H      52 LEU  QD2      4.55
 &rst
  ixpk= 0, nxpk= 0, iat=1483,  -1, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96,
 igr2=1496,1497,1498,
 &end
#
#   52 LEU   H      53 ASN  H        4.22
 &rst
  ixpk= 0, nxpk= 0, iat=1483,1502, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72,  &end
#
#   52 LEU   H      55 LEU  QD1      5.50
 &rst
  ixpk= 0, nxpk= 0, iat=1483,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1540,1541,1542,
 &end
#
#   52 LEU   HA     52 LEU  HG       3.66
 &rst
  ixpk= 0, nxpk= 0, iat=1485,1490, r1= 1.30, r2= 1.80, r3= 3.66, r4= 4.16,  &end
#
#   52 LEU   HA     52 LEU  QD2      3.36
 &rst
  ixpk= 0, nxpk= 0, iat=1485,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr2=1496,1497,1498,
 &end
#
#   52 LEU   HA     55 LEU  H        4.18
 &rst
  ixpk= 0, nxpk= 0, iat=1485,1531, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68,  &end
#
#   52 LEU   HA     55 LEU  HB2      4.88
 &rst
  ixpk= 0, nxpk= 0, iat=1485,1535, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,  &end
#
#   52 LEU   HA     55 LEU  HB3      4.14
 &rst
  ixpk= 0, nxpk= 0, iat=1485,1536, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64,  &end
#
#   52 LEU   HA     55 LEU  QD1      4.14
 &rst
  ixpk= 0, nxpk= 0, iat=1485,  -1, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47,
 igr2=1540,1541,1542,
 &end
#
#   52 LEU   HA     56 ARG  H        4.69
 &rst
  ixpk= 0, nxpk= 0, iat=1485,1550, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19,  &end
#
#   52 LEU   HA    105 LEU  HG       4.79
 &rst
  ixpk= 0, nxpk= 0, iat=1485,2298, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,  &end
#
#   52 LEU   HA    105 LEU  QD1      5.16
 &rst
  ixpk= 0, nxpk= 0, iat=1485,  -1, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70,
 igr2=2300,2301,2302,
 &end
#
#   52 LEU   HA    109 PHE  HE       4.93
 &rst
  ixpk= 0, nxpk= 0, iat=1485,  -1, r1= 1.30, r2= 1.80, r3= 5.53, r4= 6.03,
 igr2=2360,2364,
 &end
#
#   52 LEU   HB2    53 ASN  H        4.57
 &rst
  ixpk= 0, nxpk= 0, iat=1487,1502, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07,  &end
#
#   52 LEU   HB2   101 ALA  HA       5.27
 &rst
  ixpk= 0, nxpk= 0, iat=1487,2245, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77,  &end
#
#   52 LEU   HB2   105 LEU  HA       4.35
 &rst
  ixpk= 0, nxpk= 0, iat=1487,2293, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85,  &end
#
#   52 LEU   HB3    52 LEU  QD2      3.65
 &rst
  ixpk= 0, nxpk= 0, iat=1488,  -1, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,
 igr2=1496,1497,1498,
 &end
#
#   52 LEU   HB3    53 ASN  H        4.13
 &rst
  ixpk= 0, nxpk= 0, iat=1488,1502, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63,  &end
#
#   52 LEU   HG    109 PHE  HE       4.74
 &rst
  ixpk= 0, nxpk= 0, iat=1490,  -1, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82,
 igr2=2360,2364,
 &end
#
#   52 LEU   QD1   101 ALA  HA       4.22
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2245, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,
 igr1=1492,1493,1494,
 &end
#
#   52 LEU   QD1   101 ALA  QB       3.43
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr1=1492,1493,1494,
 igr2=2247,2248,2249,
 &end
#
#   52 LEU   QD2    53 ASN  H        5.12
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1502, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65,
 igr1=1496,1497,1498,
 &end
#
#   52 LEU   QD2    53 ASN  HA       5.15
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1504, r1= 1.30, r2= 1.80, r3= 6.18, r4= 6.68,
 igr1=1496,1497,1498,
 &end
#
#   52 LEU   QD2    56 ARG  H        4.40
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1550, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
 igr1=1496,1497,1498,
 &end
#
#   52 LEU   QD2    57 PRO  HA       5.45
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1584, r1= 1.30, r2= 1.80, r3= 6.55, r4= 7.05,
 igr1=1496,1497,1498,
 &end
#
#   52 LEU   QD2    57 PRO  HB3      4.85
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1582, r1= 1.30, r2= 1.80, r3= 5.82, r4= 6.32,
 igr1=1496,1497,1498,
 &end
#
#   52 LEU   QD2    57 PRO  HD3      5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1576, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=1496,1497,1498,
 &end
#
#   53 ASN   H      53 ASN  HB2      3.58
 &rst
  ixpk= 0, nxpk= 0, iat=1502,1506, r1= 1.30, r2= 1.80, r3= 3.58, r4= 4.08,  &end
#
#   53 ASN   H      54 GLU  H        3.92
 &rst
  ixpk= 0, nxpk= 0, iat=1502,1516, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42,  &end
#
#   53 ASN   H      55 LEU  H        5.08
 &rst
  ixpk= 0, nxpk= 0, iat=1502,1531, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,  &end
#
#   53 ASN   HA     53 ASN  HND2     5.50
 &rst
  ixpk= 0, nxpk= 0, iat=1504,1512, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   53 ASN   HA     56 ARG  H        4.95
 &rst
  ixpk= 0, nxpk= 0, iat=1504,1550, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,  &end
#
#   53 ASN   HA     57 PRO  HA       3.92
 &rst
  ixpk= 0, nxpk= 0, iat=1504,1584, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42,  &end
#
#   53 ASN   HB3    54 GLU  H        4.25
 &rst
  ixpk= 0, nxpk= 0, iat=1507,1516, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75,  &end
#
#   54 GLU   H      54 GLU  HB2      3.58
 &rst
  ixpk= 0, nxpk= 0, iat=1516,1520, r1= 1.30, r2= 1.80, r3= 3.58, r4= 4.08,  &end
#
#   54 GLU   H      54 GLU  HB3      3.90
 &rst
  ixpk= 0, nxpk= 0, iat=1516,1521, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40,  &end
#
#   54 GLU   H      54 GLU  HG3      3.93
 &rst
  ixpk= 0, nxpk= 0, iat=1516,1524, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,  &end
#
#   54 GLU   H      55 LEU  H        4.68
 &rst
  ixpk= 0, nxpk= 0, iat=1516,1531, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,  &end
#
#   54 GLU   H      55 LEU  HB3      4.52
 &rst
  ixpk= 0, nxpk= 0, iat=1516,1536, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02,  &end
#
#   54 GLU   H      56 ARG  H        4.72
 &rst
  ixpk= 0, nxpk= 0, iat=1516,1550, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,  &end
#
#   54 GLU   HA     54 GLU  HG2      3.85
 &rst
  ixpk= 0, nxpk= 0, iat=1518,1523, r1= 1.30, r2= 1.80, r3= 3.85, r4= 4.35,  &end
#
#   54 GLU   HB2    55 LEU  H        4.40
 &rst
  ixpk= 0, nxpk= 0, iat=1520,1531, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,  &end
#
#   54 GLU   HB3    55 LEU  H        4.67
 &rst
  ixpk= 0, nxpk= 0, iat=1521,1531, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,  &end
#
#   55 LEU   H      55 LEU  HB3      3.35
 &rst
  ixpk= 0, nxpk= 0, iat=1531,1536, r1= 1.30, r2= 1.80, r3= 3.35, r4= 3.85,  &end
#
#   55 LEU   H      55 LEU  QD1      4.46
 &rst
  ixpk= 0, nxpk= 0, iat=1531,  -1, r1= 1.30, r2= 1.80, r3= 5.36, r4= 5.86,
 igr2=1540,1541,1542,
 &end
#
#   55 LEU   H      55 LEU  QD2      4.43
 &rst
  ixpk= 0, nxpk= 0, iat=1531,  -1, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82,
 igr2=1544,1545,1546,
 &end
#
#   55 LEU   H      56 ARG  H        3.60
 &rst
  ixpk= 0, nxpk= 0, iat=1531,1550, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,  &end
#
#   55 LEU   HA     55 LEU  QD1      3.94
 &rst
  ixpk= 0, nxpk= 0, iat=1533,  -1, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,
 igr2=1540,1541,1542,
 &end
#
#   55 LEU   HA     55 LEU  QD2      3.43
 &rst
  ixpk= 0, nxpk= 0, iat=1533,  -1, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62,
 igr2=1544,1545,1546,
 &end
#
#   55 LEU   HA     56 ARG  HA       4.53
 &rst
  ixpk= 0, nxpk= 0, iat=1533,1552, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,  &end
#
#   55 LEU   HB2    55 LEU  QD2      4.19
 &rst
  ixpk= 0, nxpk= 0, iat=1535,  -1, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,
 igr2=1544,1545,1546,
 &end
#
#   55 LEU   HB2    56 ARG  H        3.98
 &rst
  ixpk= 0, nxpk= 0, iat=1535,1550, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48,  &end
#
#   55 LEU   HB2   109 PHE  HZ       3.76
 &rst
  ixpk= 0, nxpk= 0, iat=1535,2362, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26,  &end
#
#   55 LEU   HB2   109 PHE  HD       4.35
 &rst
  ixpk= 0, nxpk= 0, iat=1535,  -1, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,
 igr2=2358,2366,
 &end
#
#   55 LEU   HB2   109 PHE  HE       3.38
 &rst
  ixpk= 0, nxpk= 0, iat=1535,  -1, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29,
 igr2=2360,2364,
 &end
#
#   55 LEU   HB3    55 LEU  QD1      3.53
 &rst
  ixpk= 0, nxpk= 0, iat=1536,  -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr2=1540,1541,1542,
 &end
#
#   55 LEU   HB3    56 ARG  H        3.80
 &rst
  ixpk= 0, nxpk= 0, iat=1536,1550, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30,  &end
#
#   55 LEU   HB3   105 LEU  HG       5.08
 &rst
  ixpk= 0, nxpk= 0, iat=1536,2298, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,  &end
#
#   55 LEU   HB3   109 PHE  HZ       4.70
 &rst
  ixpk= 0, nxpk= 0, iat=1536,2362, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,  &end
#
#   55 LEU   HG    109 PHE  HZ       6.00
 &rst
  ixpk= 0, nxpk= 0, iat=1538,2362, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   55 LEU   HG    109 PHE  HD       5.15
 &rst
  ixpk= 0, nxpk= 0, iat=1538,  -1, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28,
 igr2=2358,2366,
 &end
#
#   55 LEU   HG    109 PHE  HE       4.71
 &rst
  ixpk= 0, nxpk= 0, iat=1538,  -1, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79,
 igr2=2360,2364,
 &end
#
#   55 LEU   QD1    56 ARG  H        4.85
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1550, r1= 1.30, r2= 1.80, r3= 5.82, r4= 6.32,
 igr1=1540,1541,1542,
 &end
#
#   55 LEU   QD1   105 LEU  HG       5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2298, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=1540,1541,1542,
 &end
#
#   55 LEU   QD1   105 LEU  QD1      4.15
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
 igr1=1540,1541,1542,
 igr2=2300,2301,2302,
 &end
#
#   55 LEU   QD1   105 LEU  QD2      4.60
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.63, r4= 7.13,
 igr1=1540,1541,1542,
 igr2=2304,2305,2306,
 &end
#
#   55 LEU   QD1   109 PHE  HB2      5.23
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2354, r1= 1.30, r2= 1.80, r3= 6.28, r4= 6.78,
 igr1=1540,1541,1542,
 &end
#
#   55 LEU   QD1   109 PHE  HB3      5.18
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2355, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
 igr1=1540,1541,1542,
 &end
#
#   55 LEU   QD1   109 PHE  HZ       5.29
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2362, r1= 1.30, r2= 1.80, r3= 6.35, r4= 6.85,
 igr1=1540,1541,1542,
 &end
#
#   55 LEU   QD1   109 PHE  HD       4.63
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.24, r4= 6.74,
 igr1=1540,1541,1542,
 igr2=2358,2366,
 &end
#
#   55 LEU   QD1   109 PHE  HE       4.69
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.32, r4= 6.82,
 igr1=1540,1541,1542,
 igr2=2360,2364,
 &end
#
#   55 LEU   QD2    56 ARG  H        5.33
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1550, r1= 1.30, r2= 1.80, r3= 6.40, r4= 6.90,
 igr1=1544,1545,1546,
 &end
#
#   55 LEU   QD2    56 ARG  HA       6.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1552, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1=1544,1545,1546,
 &end
#
#   55 LEU   QD2   109 PHE  HB3      5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2355, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=1544,1545,1546,
 &end
#
#   55 LEU   QD2   109 PHE  HD       5.18
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.98, r4= 7.48,
 igr1=1544,1545,1546,
 igr2=2358,2366,
 &end
#
#   55 LEU   QD2   109 PHE  HE       5.05
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1=1544,1545,1546,
 igr2=2360,2364,
 &end
#
#   56 ARG   H      57 PRO  HA       5.10
 &rst
  ixpk= 0, nxpk= 0, iat=1550,1584, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,  &end
#
#   56 ARG   HA     56 ARG  QD       3.37
 &rst
  ixpk= 0, nxpk= 0, iat=1552,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr2=1560,1561,
 &end
#
#   56 ARG   HA     57 PRO  HD2      3.28
 &rst
  ixpk= 0, nxpk= 0, iat=1552,1575, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78,  &end
#
#   56 ARG   HA     57 PRO  QG       4.05
 &rst
  ixpk= 0, nxpk= 0, iat=1552,  -1, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05,
 igr2=1578,1579,
 &end
#
#   57 PRO   HB2    58 GLY  HA2      4.56
 &rst
  ixpk= 0, nxpk= 0, iat=1581,1590, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06,  &end
#
#   57 PRO   QG     58 GLY  H        5.27
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1588, r1= 1.30, r2= 1.80, r3= 5.92, r4= 6.42,
 igr1=1578,1579,
 &end
#
#   58 GLY   H      59 LEU  H        4.74
 &rst
  ixpk= 0, nxpk= 0, iat=1588,1595, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,  &end
#
#   58 GLY   HA3    59 LEU  HG       4.50
 &rst
  ixpk= 0, nxpk= 0, iat=1591,1602, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   59 LEU   H      59 LEU  HB3      3.82
 &rst
  ixpk= 0, nxpk= 0, iat=1595,1600, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32,  &end
#
#   59 LEU   H      59 LEU  HG       3.40
 &rst
  ixpk= 0, nxpk= 0, iat=1595,1602, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90,  &end
#
#   59 LEU   H      59 LEU  QD2      3.77
 &rst
  ixpk= 0, nxpk= 0, iat=1595,  -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
 igr2=1608,1609,1610,
 &end
#
#   59 LEU   H      60 LYS  H        5.04
 &rst
  ixpk= 0, nxpk= 0, iat=1595,1614, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,  &end
#
#   59 LEU   H      60 LYS  HA       4.69
 &rst
  ixpk= 0, nxpk= 0, iat=1595,1616, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19,  &end
#
#   59 LEU   H      61 TYR  HE       5.21
 &rst
  ixpk= 0, nxpk= 0, iat=1595,  -1, r1= 1.30, r2= 1.80, r3= 5.85, r4= 6.35,
 igr2=1646,1651,
 &end
#
#   59 LEU   H      79 VAL  QG1      5.61
 &rst
  ixpk= 0, nxpk= 0, iat=1595,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr2=1908,1909,1910,
 &end
#
#   59 LEU   HA     59 LEU  HG       3.96
 &rst
  ixpk= 0, nxpk= 0, iat=1597,1602, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,  &end
#
#   59 LEU   HA     59 LEU  QD1      4.21
 &rst
  ixpk= 0, nxpk= 0, iat=1597,  -1, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,
 igr2=1604,1605,1606,
 &end
#
#   59 LEU   HA     59 LEU  QD2      4.03
 &rst
  ixpk= 0, nxpk= 0, iat=1597,  -1, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,
 igr2=1608,1609,1610,
 &end
#
#   59 LEU   HA     60 LYS  H        3.09
 &rst
  ixpk= 0, nxpk= 0, iat=1597,1614, r1= 1.30, r2= 1.80, r3= 3.09, r4= 3.59,  &end
#
#   59 LEU   HA     79 VAL  QG1      4.71
 &rst
  ixpk= 0, nxpk= 0, iat=1597,  -1, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
 igr2=1908,1909,1910,
 &end
#
#   59 LEU   HA     82 ASP  H        3.97
 &rst
  ixpk= 0, nxpk= 0, iat=1597,1950, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47,  &end
#
#   59 LEU   HB2    79 VAL  QG1      5.33
 &rst
  ixpk= 0, nxpk= 0, iat=1599,  -1, r1= 1.30, r2= 1.80, r3= 6.40, r4= 6.90,
 igr2=1908,1909,1910,
 &end
#
#   59 LEU   HB3    59 LEU  QD1      3.49
 &rst
  ixpk= 0, nxpk= 0, iat=1600,  -1, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69,
 igr2=1604,1605,1606,
 &end
#
#   59 LEU   HB3    59 LEU  QD2      3.73
 &rst
  ixpk= 0, nxpk= 0, iat=1600,  -1, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98,
 igr2=1608,1609,1610,
 &end
#
#   59 LEU   HB3    60 LYS  H        3.30
 &rst
  ixpk= 0, nxpk= 0, iat=1600,1614, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
#   59 LEU   HB3    61 TYR  HE       4.65
 &rst
  ixpk= 0, nxpk= 0, iat=1600,  -1, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
 igr2=1646,1651,
 &end
#
#   59 LEU   HB3    79 VAL  QG1      4.27
 &rst
  ixpk= 0, nxpk= 0, iat=1600,  -1, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63,
 igr2=1908,1909,1910,
 &end
#
#   59 LEU   HB3    81 VAL  HA       3.81
 &rst
  ixpk= 0, nxpk= 0, iat=1600,1936, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31,  &end
#
#   59 LEU   HG     79 VAL  QG1      5.19
 &rst
  ixpk= 0, nxpk= 0, iat=1602,  -1, r1= 1.30, r2= 1.80, r3= 6.23, r4= 6.73,
 igr2=1908,1909,1910,
 &end
#
#   59 LEU   QD1    61 TYR  HA       5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1638, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=1604,1605,1606,
 &end
#
#   59 LEU   QD1    61 TYR  HE       5.04
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.79, r4= 7.29,
 igr1=1604,1605,1606,
 igr2=1646,1651,
 &end
#
#   59 LEU   QD1    79 VAL  QG1      3.84
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,
 igr1=1604,1605,1606,
 igr2=1908,1909,1910,
 &end
#
#   59 LEU   QD1    81 VAL  HA       5.06
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1936, r1= 1.30, r2= 1.80, r3= 6.08, r4= 6.58,
 igr1=1604,1605,1606,
 &end
#
#   59 LEU   QD2    60 LYS  H        3.82
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1614, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09,
 igr1=1608,1609,1610,
 &end
#
#   59 LEU   QD2    60 LYS  HA       5.08
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1616, r1= 1.30, r2= 1.80, r3= 6.10, r4= 6.60,
 igr1=1608,1609,1610,
 &end
#
#   59 LEU   QD2    61 TYR  HE       4.38
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,
 igr1=1608,1609,1610,
 igr2=1646,1651,
 &end
#
#   59 LEU   QD2    79 VAL  HA       5.26
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1904, r1= 1.30, r2= 1.80, r3= 6.32, r4= 6.82,
 igr1=1608,1609,1610,
 &end
#
#   59 LEU   QD2    79 VAL  HB       4.59
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1906, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01,
 igr1=1608,1609,1610,
 &end
#
#   59 LEU   QD2    79 VAL  QG1      3.82
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01,
 igr1=1608,1609,1610,
 igr2=1908,1909,1910,
 &end
#
#   60 LYS   H      60 LYS  HB3      3.87
 &rst
  ixpk= 0, nxpk= 0, iat=1614,1619, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37,  &end
#
#   60 LYS   H      60 LYS  QG       4.24
 &rst
  ixpk= 0, nxpk= 0, iat=1614,  -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
 igr2=1621,1622,
 &end
#
#   60 LYS   H      61 TYR  H        4.95
 &rst
  ixpk= 0, nxpk= 0, iat=1614,1636, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,  &end
#
#   60 LYS   H      79 VAL  QG1      4.87
 &rst
  ixpk= 0, nxpk= 0, iat=1614,  -1, r1= 1.30, r2= 1.80, r3= 5.85, r4= 6.35,
 igr2=1908,1909,1910,
 &end
#
#   60 LYS   HA     60 LYS  HB2      2.96
 &rst
  ixpk= 0, nxpk= 0, iat=1616,1618, r1= 1.30, r2= 1.80, r3= 2.96, r4= 3.46,  &end
#
#   60 LYS   HA     60 LYS  QE       4.18
 &rst
  ixpk= 0, nxpk= 0, iat=1616,  -1, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19,
 igr2=1627,1628,
 &end
#
#   60 LYS   HA     60 LYS  QG       3.47
 &rst
  ixpk= 0, nxpk= 0, iat=1616,  -1, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39,
 igr2=1621,1622,
 &end
#
#   60 LYS   HA     61 TYR  H        3.10
 &rst
  ixpk= 0, nxpk= 0, iat=1616,1636, r1= 1.30, r2= 1.80, r3= 3.10, r4= 3.60,  &end
#
#   60 LYS   HA     61 TYR  HD       4.16
 &rst
  ixpk= 0, nxpk= 0, iat=1616,  -1, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,
 igr2=1644,1653,
 &end
#
#   60 LYS   HB2    60 LYS  QE       2.71
 &rst
  ixpk= 0, nxpk= 0, iat=1618,  -1, r1= 1.30, r2= 1.80, r3= 3.04, r4= 3.54,
 igr2=1627,1628,
 &end
#
#   60 LYS   HB2    60 LYS  QG       2.61
 &rst
  ixpk= 0, nxpk= 0, iat=1618,  -1, r1= 1.30, r2= 1.80, r3= 2.93, r4= 3.43,
 igr2=1621,1622,
 &end
#
#   60 LYS   HB2    61 TYR  H        4.58
 &rst
  ixpk= 0, nxpk= 0, iat=1618,1636, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,  &end
#
#   60 LYS   HB3    60 LYS  QE       5.12
 &rst
  ixpk= 0, nxpk= 0, iat=1619,  -1, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25,
 igr2=1627,1628,
 &end
#
#   60 LYS   HB3    61 TYR  H        4.72
 &rst
  ixpk= 0, nxpk= 0, iat=1619,1636, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,  &end
#
#   60 LYS   QE     80 VAL  HA       5.09
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1920, r1= 1.30, r2= 1.80, r3= 5.71, r4= 6.21,
 igr1=1627,1628,
 &end
#
#   60 LYS   QE     80 VAL  HB       4.38
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1922, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,
 igr1=1627,1628,
 &end
#
#   60 LYS   QE     81 VAL  HA       4.60
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1936, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
 igr1=1627,1628,
 &end
#
#   60 LYS   QG     60 LYS  QE       3.18
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51,
 igr1=1621,1622,
 igr2=1627,1628,
 &end
#
#   60 LYS   QG     61 TYR  H        4.44
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1636, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48,
 igr1=1621,1622,
 &end
#
#   61 TYR   H      61 TYR  HB2      3.91
 &rst
  ixpk= 0, nxpk= 0, iat=1636,1640, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41,  &end
#
#   61 TYR   H      61 TYR  HB3      3.78
 &rst
  ixpk= 0, nxpk= 0, iat=1636,1641, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,  &end
#
#   61 TYR   H      61 TYR  HD       3.56
 &rst
  ixpk= 0, nxpk= 0, iat=1636,  -1, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
 igr2=1644,1653,
 &end
#
#   61 TYR   H      62 ASP  H        4.57
 &rst
  ixpk= 0, nxpk= 0, iat=1636,1657, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07,  &end
#
#   61 TYR   H      79 VAL  QG1      5.50
 &rst
  ixpk= 0, nxpk= 0, iat=1636,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1908,1909,1910,
 &end
#
#   61 TYR   HA     61 TYR  HD       3.71
 &rst
  ixpk= 0, nxpk= 0, iat=1638,  -1, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66,
 igr2=1644,1653,
 &end
#
#   61 TYR   HA     61 TYR  HE       4.78
 &rst
  ixpk= 0, nxpk= 0, iat=1638,  -1, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,
 igr2=1646,1651,
 &end
#
#   61 TYR   HA     62 ASP  H        3.23
 &rst
  ixpk= 0, nxpk= 0, iat=1638,1657, r1= 1.30, r2= 1.80, r3= 3.23, r4= 3.73,  &end
#
#   61 TYR   HA     62 ASP  HA       4.31
 &rst
  ixpk= 0, nxpk= 0, iat=1638,1659, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81,  &end
#
#   61 TYR   HA     77 MET  QE       4.02
 &rst
  ixpk= 0, nxpk= 0, iat=1638,  -1, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
 igr2=1885,1886,1887,
 &end
#
#   61 TYR   HA     78 SER  H        5.35
 &rst
  ixpk= 0, nxpk= 0, iat=1638,1891, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85,  &end
#
#   61 TYR   HA     79 VAL  HA       3.49
 &rst
  ixpk= 0, nxpk= 0, iat=1638,1904, r1= 1.30, r2= 1.80, r3= 3.49, r4= 3.99,  &end
#
#   61 TYR   HA     79 VAL  HB       4.38
 &rst
  ixpk= 0, nxpk= 0, iat=1638,1906, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,  &end
#
#   61 TYR   HA     79 VAL  QG1      4.13
 &rst
  ixpk= 0, nxpk= 0, iat=1638,  -1, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,
 igr2=1908,1909,1910,
 &end
#
#   61 TYR   HA     79 VAL  QG2      5.15
 &rst
  ixpk= 0, nxpk= 0, iat=1638,  -1, r1= 1.30, r2= 1.80, r3= 6.18, r4= 6.68,
 igr2=1912,1913,1914,
 &end
#
#   61 TYR   HB2    77 MET  QE       4.11
 &rst
  ixpk= 0, nxpk= 0, iat=1640,  -1, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
 igr2=1885,1886,1887,
 &end
#
#   61 TYR   HB3    62 ASP  H        4.33
 &rst
  ixpk= 0, nxpk= 0, iat=1641,1657, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,  &end
#
#   61 TYR   HB3    62 ASP  HA       4.50
 &rst
  ixpk= 0, nxpk= 0, iat=1641,1659, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   61 TYR   HB3    77 MET  QE       4.19
 &rst
  ixpk= 0, nxpk= 0, iat=1641,  -1, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,
 igr2=1885,1886,1887,
 &end
#
#   61 TYR   HD     62 ASP  H        4.52
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1657, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,
 igr1=1644,1653,
 &end
#
#   61 TYR   HD     77 MET  HB3      4.76
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1879, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
 igr1=1644,1653,
 &end
#
#   61 TYR   HD     77 MET  QE       4.11
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,
 igr1=1644,1653,
 igr2=1885,1886,1887,
 &end
#
#   61 TYR   HD     79 VAL  HA       4.27
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1904, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,
 igr1=1644,1653,
 &end
#
#   61 TYR   HD     79 VAL  HB       4.73
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1906, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,
 igr1=1644,1653,
 &end
#
#   61 TYR   HD     79 VAL  QG1      4.44
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
 igr1=1644,1653,
 igr2=1908,1909,1910,
 &end
#
#   61 TYR   HD     79 VAL  QG2      4.53
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.11, r4= 6.61,
 igr1=1644,1653,
 igr2=1912,1913,1914,
 &end
#
#   61 TYR   HD    100 ALA  QB       4.66
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.28, r4= 6.78,
 igr1=1644,1653,
 igr2=2237,2238,2239,
 &end
#
#   61 TYR   HD    101 ALA  QB       5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1644,1653,
 igr2=2247,2248,2249,
 &end
#
#   61 TYR   HE     77 MET  QE       5.14
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1646,1651,
 igr2=1885,1886,1887,
 &end
#
#   61 TYR   HE     79 VAL  HA       5.38
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1904, r1= 1.30, r2= 1.80, r3= 6.04, r4= 6.54,
 igr1=1646,1651,
 &end
#
#   61 TYR   HE     79 VAL  HB       4.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1906, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1646,1651,
 &end
#
#   61 TYR   HE     79 VAL  QG1      4.22
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
 igr1=1646,1651,
 igr2=1908,1909,1910,
 &end
#
#   61 TYR   HE     79 VAL  QG2      3.94
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,
 igr1=1646,1651,
 igr2=1912,1913,1914,
 &end
#
#   61 TYR   HE    100 ALA  H        5.21
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2233, r1= 1.30, r2= 1.80, r3= 5.85, r4= 6.35,
 igr1=1646,1651,
 &end
#
#   61 TYR   HE    100 ALA  QB       3.87
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
 igr1=1646,1651,
 igr2=2237,2238,2239,
 &end
#
#   61 TYR   HE    101 ALA  H        4.55
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2243, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61,
 igr1=1646,1651,
 &end
#
#   61 TYR   HE    101 ALA  HA       4.39
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2245, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43,
 igr1=1646,1651,
 &end
#
#   61 TYR   HE    101 ALA  QB       3.98
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,
 igr1=1646,1651,
 igr2=2247,2248,2249,
 &end
#
#   62 ASP   H      62 ASP  QB       3.25
 &rst
  ixpk= 0, nxpk= 0, iat=1657,  -1, r1= 1.30, r2= 1.80, r3= 3.65, r4= 4.15,
 igr2=1661,1662,
 &end
#
#   62 ASP   H      77 MET  QE       5.23
 &rst
  ixpk= 0, nxpk= 0, iat=1657,  -1, r1= 1.30, r2= 1.80, r3= 6.28, r4= 6.78,
 igr2=1885,1886,1887,
 &end
#
#   62 ASP   H      79 VAL  HA       4.42
 &rst
  ixpk= 0, nxpk= 0, iat=1657,1904, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92,  &end
#
#   62 ASP   H      79 VAL  HB       5.57
 &rst
  ixpk= 0, nxpk= 0, iat=1657,1906, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07,  &end
#
#   62 ASP   H      79 VAL  QG1      5.34
 &rst
  ixpk= 0, nxpk= 0, iat=1657,  -1, r1= 1.30, r2= 1.80, r3= 6.41, r4= 6.91,
 igr2=1908,1909,1910,
 &end
#
#   62 ASP   H      80 VAL  QG2      5.14
 &rst
  ixpk= 0, nxpk= 0, iat=1657,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1928,1929,1930,
 &end
#
#   62 ASP   HA     62 ASP  QB       2.94
 &rst
  ixpk= 0, nxpk= 0, iat=1659,  -1, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,
 igr2=1661,1662,
 &end
#
#   62 ASP   HA     63 PHE  HA       5.48
 &rst
  ixpk= 0, nxpk= 0, iat=1659,1671, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98,  &end
#
#   62 ASP   HA     63 PHE  HB3      5.23
 &rst
  ixpk= 0, nxpk= 0, iat=1659,1674, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73,  &end
#
#   62 ASP   HA     64 LEU  QD1      5.33
 &rst
  ixpk= 0, nxpk= 0, iat=1659,  -1, r1= 1.30, r2= 1.80, r3= 6.40, r4= 6.90,
 igr2=1698,1699,1700,
 &end
#
#   62 ASP   HA     77 MET  QE       4.85
 &rst
  ixpk= 0, nxpk= 0, iat=1659,  -1, r1= 1.30, r2= 1.80, r3= 5.82, r4= 6.32,
 igr2=1885,1886,1887,
 &end
#
#   62 ASP   QB     64 LEU  HA       5.32
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1691, r1= 1.30, r2= 1.80, r3= 5.97, r4= 6.47,
 igr1=1661,1662,
 &end
#
#   62 ASP   QB     64 LEU  QB       5.42
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.83, r4= 7.33,
 igr1=1661,1662,
 igr2=1693,1694,
 &end
#
#   62 ASP   QB     64 LEU  QD1      3.74
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1=1661,1662,
 igr2=1698,1699,1700,
 &end
#
#   62 ASP   QB     64 LEU  QD2      4.64
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.25, r4= 6.75,
 igr1=1661,1662,
 igr2=1702,1703,1704,
 &end
#
#   62 ASP   QB     77 MET  QE       5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1661,1662,
 igr2=1885,1886,1887,
 &end
#
#   62 ASP   QB     78 SER  H        4.11
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1891, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,
 igr1=1661,1662,
 &end
#
#   62 ASP   QB     78 SER  HA       5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1893, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1661,1662,
 &end
#
#   62 ASP   QB     78 SER  HB2      4.52
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1895, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,
 igr1=1661,1662,
 &end
#
#   62 ASP   QB     78 SER  HB3      5.39
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1896, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
 igr1=1661,1662,
 &end
#
#   62 ASP   QB     79 VAL  HA       4.53
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1904, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,
 igr1=1661,1662,
 &end
#
#   62 ASP   QB     80 VAL  QG2      5.27
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.10, r4= 7.60,
 igr1=1661,1662,
 igr2=1928,1929,1930,
 &end
#
#   63 PHE   H      63 PHE  HD       5.20
 &rst
  ixpk= 0, nxpk= 0, iat=1669,  -1, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
 igr2=1677,1685,
 &end
#
#   63 PHE   HA     63 PHE  HD       3.38
 &rst
  ixpk= 0, nxpk= 0, iat=1671,  -1, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29,
 igr2=1677,1685,
 &end
#
#   63 PHE   HA     63 PHE  HE       4.83
 &rst
  ixpk= 0, nxpk= 0, iat=1671,  -1, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,
 igr2=1679,1683,
 &end
#
#   63 PHE   HA     64 LEU  H        3.49
 &rst
  ixpk= 0, nxpk= 0, iat=1671,1689, r1= 1.30, r2= 1.80, r3= 3.49, r4= 3.99,  &end
#
#   63 PHE   HA     64 LEU  HA       5.36
 &rst
  ixpk= 0, nxpk= 0, iat=1671,1691, r1= 1.30, r2= 1.80, r3= 5.36, r4= 5.86,  &end
#
#   63 PHE   HA     64 LEU  QB       4.69
 &rst
  ixpk= 0, nxpk= 0, iat=1671,  -1, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76,
 igr2=1693,1694,
 &end
#
#   63 PHE   HA     64 LEU  QD1      5.43
 &rst
  ixpk= 0, nxpk= 0, iat=1671,  -1, r1= 1.30, r2= 1.80, r3= 6.52, r4= 7.02,
 igr2=1698,1699,1700,
 &end
#
#   63 PHE   HA     77 MET  HA       3.86
 &rst
  ixpk= 0, nxpk= 0, iat=1671,1876, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36,  &end
#
#   63 PHE   HA     77 MET  HG2      4.81
 &rst
  ixpk= 0, nxpk= 0, iat=1671,1881, r1= 1.30, r2= 1.80, r3= 4.81, r4= 5.31,  &end
#
#   63 PHE   HA     77 MET  QE       3.88
 &rst
  ixpk= 0, nxpk= 0, iat=1671,  -1, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,
 igr2=1885,1886,1887,
 &end
#
#   63 PHE   HB2    77 MET  QE       4.86
 &rst
  ixpk= 0, nxpk= 0, iat=1673,  -1, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
 igr2=1885,1886,1887,
 &end
#
#   63 PHE   HB3    64 LEU  H        4.48
 &rst
  ixpk= 0, nxpk= 0, iat=1674,1689, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98,  &end
#
#   63 PHE   HB3    64 LEU  QD2      5.10
 &rst
  ixpk= 0, nxpk= 0, iat=1674,  -1, r1= 1.30, r2= 1.80, r3= 6.12, r4= 6.62,
 igr2=1702,1703,1704,
 &end
#
#   63 PHE   HB3    77 MET  HA       4.91
 &rst
  ixpk= 0, nxpk= 0, iat=1674,1876, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,  &end
#
#   63 PHE   HB3    77 MET  QE       4.34
 &rst
  ixpk= 0, nxpk= 0, iat=1674,  -1, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71,
 igr2=1885,1886,1887,
 &end
#
#   63 PHE   HD     77 MET  HA       4.55
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1876, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61,
 igr1=1677,1685,
 &end
#
#   63 PHE   HD     77 MET  QE       4.13
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07,
 igr1=1677,1685,
 igr2=1885,1886,1887,
 &end
#
#   63 PHE   HE     75 PHE  HA       4.34
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1840, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37,
 igr1=1679,1683,
 &end
#
#   63 PHE   HE     75 PHE  QB       4.40
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,
 igr1=1679,1683,
 igr2=1842,1843,
 &end
#
#   63 PHE   HE     75 PHE  HD       3.75
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1=1679,1683,
 igr2=1846,1854,
 &end
#
#   63 PHE   HE     76 VAL  H        4.69
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1858, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76,
 igr1=1679,1683,
 &end
#
#   64 LEU   H      64 LEU  QB       3.64
 &rst
  ixpk= 0, nxpk= 0, iat=1689,  -1, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59,
 igr2=1693,1694,
 &end
#
#   64 LEU   H      64 LEU  QD1      4.67
 &rst
  ixpk= 0, nxpk= 0, iat=1689,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=1698,1699,1700,
 &end
#
#   64 LEU   H      64 LEU  QD2      4.45
 &rst
  ixpk= 0, nxpk= 0, iat=1689,  -1, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
 igr2=1702,1703,1704,
 &end
#
#   64 LEU   H      65 SER  H        4.58
 &rst
  ixpk= 0, nxpk= 0, iat=1689,1708, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,  &end
#
#   64 LEU   H      76 VAL  HB       5.50
 &rst
  ixpk= 0, nxpk= 0, iat=1689,1862, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   64 LEU   H      77 MET  HA       3.98
 &rst
  ixpk= 0, nxpk= 0, iat=1689,1876, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48,  &end
#
#   64 LEU   H      78 SER  H        4.84
 &rst
  ixpk= 0, nxpk= 0, iat=1689,1891, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,  &end
#
#   64 LEU   HA     64 LEU  QB       2.76
 &rst
  ixpk= 0, nxpk= 0, iat=1691,  -1, r1= 1.30, r2= 1.80, r3= 3.10, r4= 3.60,
 igr2=1693,1694,
 &end
#
#   64 LEU   HA     64 LEU  QD1      3.06
 &rst
  ixpk= 0, nxpk= 0, iat=1691,  -1, r1= 1.30, r2= 1.80, r3= 3.67, r4= 4.17,
 igr2=1698,1699,1700,
 &end
#
#   64 LEU   HA     64 LEU  QD2      3.53
 &rst
  ixpk= 0, nxpk= 0, iat=1691,  -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr2=1702,1703,1704,
 &end
#
#   64 LEU   HG     78 SER  HB3      4.23
 &rst
  ixpk= 0, nxpk= 0, iat=1696,1896, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73,  &end
#
#   64 LEU   QB     64 LEU  QD2      3.45
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,
 igr1=1693,1694,
 igr2=1702,1703,1704,
 &end
#
#   64 LEU   QB     65 SER  H        3.93
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1708, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1693,1694,
 &end
#
#   64 LEU   QB     65 SER  HA       4.48
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1710, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,
 igr1=1693,1694,
 &end
#
#   64 LEU   QB     65 SER  QB       4.84
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.10, r4= 6.60,
 igr1=1693,1694,
 igr2=1712,1713,
 &end
#
#   64 LEU   QB     77 MET  HA       4.26
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1876, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28,
 igr1=1693,1694,
 &end
#
#   64 LEU   QB     78 SER  H        4.56
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1891, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
 igr1=1693,1694,
 &end
#
#   64 LEU   QD1    65 SER  H        4.79
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1708, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25,
 igr1=1698,1699,1700,
 &end
#
#   64 LEU   QD1    65 SER  QB       4.96
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.69, r4= 7.19,
 igr1=1698,1699,1700,
 igr2=1712,1713,
 &end
#
#   64 LEU   QD1    78 SER  HB3      5.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1896, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1=1698,1699,1700,
 &end
#
#   64 LEU   QD1    85 PHE  HE       5.42
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.31, r4= 7.81,
 igr1=1698,1699,1700,
 igr2=1996,2000,
 &end
#
#   64 LEU   QD2    65 SER  H        4.95
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1708, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
 igr1=1702,1703,1704,
 &end
#
#   64 LEU   QD2    77 MET  HA       4.67
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1876, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1702,1703,1704,
 &end
#
#   64 LEU   QD2    78 SER  H        4.86
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1891, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
 igr1=1702,1703,1704,
 &end
#
#   64 LEU   QD2    78 SER  HA       4.14
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1893, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47,
 igr1=1702,1703,1704,
 &end
#
#   64 LEU   QD2    78 SER  HB2      3.86
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1895, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,
 igr1=1702,1703,1704,
 &end
#
#   64 LEU   QD2    78 SER  HB3      3.90
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1896, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,
 igr1=1702,1703,1704,
 &end
#
#   75 PHE   H      75 PHE  QB       3.81
 &rst
  ixpk= 0, nxpk= 0, iat=1838,  -1, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78,
 igr2=1842,1843,
 &end
#
#   75 PHE   H      75 PHE  HD       4.22
 &rst
  ixpk= 0, nxpk= 0, iat=1838,  -1, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,
 igr2=1846,1854,
 &end
#
#   75 PHE   H      90 GLY  H        4.25
 &rst
  ixpk= 0, nxpk= 0, iat=1838,2059, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75,  &end
#
#   75 PHE   H      96 ALA  QB       5.09
 &rst
  ixpk= 0, nxpk= 0, iat=1838,  -1, r1= 1.30, r2= 1.80, r3= 6.11, r4= 6.61,
 igr2=2171,2172,2173,
 &end
#
#   75 PHE   HA     75 PHE  HD       3.89
 &rst
  ixpk= 0, nxpk= 0, iat=1840,  -1, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87,
 igr2=1846,1854,
 &end
#
#   75 PHE   HA     76 VAL  H        3.39
 &rst
  ixpk= 0, nxpk= 0, iat=1840,1858, r1= 1.30, r2= 1.80, r3= 3.39, r4= 3.89,  &end
#
#   75 PHE   HA     76 VAL  QG1      5.50
 &rst
  ixpk= 0, nxpk= 0, iat=1840,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1864,1865,1866,
 &end
#
#   75 PHE   HA     90 GLY  H        4.74
 &rst
  ixpk= 0, nxpk= 0, iat=1840,2059, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,  &end
#
#   75 PHE   HA     96 ALA  QB       4.81
 &rst
  ixpk= 0, nxpk= 0, iat=1840,  -1, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28,
 igr2=2171,2172,2173,
 &end
#
#   75 PHE   QB     76 VAL  H        3.99
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1858, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98,
 igr1=1842,1843,
 &end
#
#   75 PHE   QB     90 GLY  H        4.34
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2059, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37,
 igr1=1842,1843,
 &end
#
#   75 PHE   QB     96 ALA  H        4.77
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2167, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85,
 igr1=1842,1843,
 &end
#
#   75 PHE   QB     96 ALA  QB       3.76
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,
 igr1=1842,1843,
 igr2=2171,2172,2173,
 &end
#
#   75 PHE   HD     76 VAL  QG1      6.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1=1846,1854,
 igr2=1864,1865,1866,
 &end
#
#   75 PHE   HD     96 ALA  QB       4.89
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.59, r4= 7.09,
 igr1=1846,1854,
 igr2=2171,2172,2173,
 &end
#
#   76 VAL   H      76 VAL  HB       3.74
 &rst
  ixpk= 0, nxpk= 0, iat=1858,1862, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24,  &end
#
#   76 VAL   H      76 VAL  QG1      3.96
 &rst
  ixpk= 0, nxpk= 0, iat=1858,  -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
 igr2=1864,1865,1866,
 &end
#
#   76 VAL   H      76 VAL  QG2      4.23
 &rst
  ixpk= 0, nxpk= 0, iat=1858,  -1, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,
 igr2=1868,1869,1870,
 &end
#
#   76 VAL   H      77 MET  H        4.69
 &rst
  ixpk= 0, nxpk= 0, iat=1858,1874, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19,  &end
#
#   76 VAL   HA     76 VAL  QG1      3.46
 &rst
  ixpk= 0, nxpk= 0, iat=1860,  -1, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66,
 igr2=1864,1865,1866,
 &end
#
#   76 VAL   HA     76 VAL  QG2      3.76
 &rst
  ixpk= 0, nxpk= 0, iat=1860,  -1, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02,
 igr2=1868,1869,1870,
 &end
#
#   76 VAL   HA     89 SER  HA       3.77
 &rst
  ixpk= 0, nxpk= 0, iat=1860,2050, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,  &end
#
#   76 VAL   HA     89 SER  QB       3.60
 &rst
  ixpk= 0, nxpk= 0, iat=1860,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr2=2052,2053,
 &end
#
#   76 VAL   HA     90 GLY  H        5.18
 &rst
  ixpk= 0, nxpk= 0, iat=1860,2059, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68,  &end
#
#   76 VAL   HA     96 ALA  HA       5.35
 &rst
  ixpk= 0, nxpk= 0, iat=1860,2169, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85,  &end
#
#   76 VAL   HA     96 ALA  QB       4.29
 &rst
  ixpk= 0, nxpk= 0, iat=1860,  -1, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,
 igr2=2171,2172,2173,
 &end
#
#   76 VAL   HB     77 MET  H        4.20
 &rst
  ixpk= 0, nxpk= 0, iat=1862,1874, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,  &end
#
#   76 VAL   HB     89 SER  HA       4.86
 &rst
  ixpk= 0, nxpk= 0, iat=1862,2050, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,  &end
#
#   76 VAL   HB     90 GLY  H        5.50
 &rst
  ixpk= 0, nxpk= 0, iat=1862,2059, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   76 VAL   QG1    77 MET  H        4.30
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1874, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
 igr1=1864,1865,1866,
 &end
#
#   76 VAL   QG1    88 GLY  H        5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2041, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=1864,1865,1866,
 &end
#
#   76 VAL   QG1    89 SER  H        5.43
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2048, r1= 1.30, r2= 1.80, r3= 6.52, r4= 7.02,
 igr1=1864,1865,1866,
 &end
#
#   76 VAL   QG1    89 SER  HA       3.90
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2050, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,
 igr1=1864,1865,1866,
 &end
#
#   76 VAL   QG1    89 SER  QB       3.32
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98,
 igr1=1864,1865,1866,
 igr2=2052,2053,
 &end
#
#   76 VAL   QG1    90 GLY  H        4.79
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2059, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25,
 igr1=1864,1865,1866,
 &end
#
#   76 VAL   QG2    77 MET  H        3.94
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1874, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,
 igr1=1868,1869,1870,
 &end
#
#   76 VAL   QG2    87 GLU  HA       4.32
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2028, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,
 igr1=1868,1869,1870,
 &end
#
#   76 VAL   QG2    87 GLU  QB       4.10
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.53, r4= 6.03,
 igr1=1868,1869,1870,
 igr2=2030,2031,
 &end
#
#   76 VAL   QG2    87 GLU  QG       3.40
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
 igr1=1868,1869,1870,
 igr2=2033,2034,
 &end
#
#   76 VAL   QG2    88 GLY  H        4.31
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2041, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68,
 igr1=1868,1869,1870,
 &end
#
#   76 VAL   QG2    88 GLY  HA2      4.57
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2043, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99,
 igr1=1868,1869,1870,
 &end
#
#   76 VAL   QG2    88 GLY  HA3      4.47
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2044, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,
 igr1=1868,1869,1870,
 &end
#
#   76 VAL   QG2    89 SER  H        5.46
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2048, r1= 1.30, r2= 1.80, r3= 6.56, r4= 7.06,
 igr1=1868,1869,1870,
 &end
#
#   76 VAL   QG2    89 SER  HA       4.33
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2050, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,
 igr1=1868,1869,1870,
 &end
#
#   76 VAL   QG2    89 SER  QB       4.61
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.21, r4= 6.71,
 igr1=1868,1869,1870,
 igr2=2052,2053,
 &end
#
#   76 VAL   QG2    90 GLY  H        5.11
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2059, r1= 1.30, r2= 1.80, r3= 6.14, r4= 6.64,
 igr1=1868,1869,1870,
 &end
#
#   77 MET   H      77 MET  HG2      5.04
 &rst
  ixpk= 0, nxpk= 0, iat=1874,1881, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,  &end
#
#   77 MET   H      77 MET  HG3      4.95
 &rst
  ixpk= 0, nxpk= 0, iat=1874,1882, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,  &end
#
#   77 MET   H      89 SER  HA       4.20
 &rst
  ixpk= 0, nxpk= 0, iat=1874,2050, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,  &end
#
#   77 MET   H      96 ALA  QB       4.14
 &rst
  ixpk= 0, nxpk= 0, iat=1874,  -1, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47,
 igr2=2171,2172,2173,
 &end
#
#   77 MET   HA     77 MET  HG2      4.14
 &rst
  ixpk= 0, nxpk= 0, iat=1876,1881, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64,  &end
#
#   77 MET   HA     77 MET  QE       4.12
 &rst
  ixpk= 0, nxpk= 0, iat=1876,  -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr2=1885,1886,1887,
 &end
#
#   77 MET   HA     78 SER  H        3.43
 &rst
  ixpk= 0, nxpk= 0, iat=1876,1891, r1= 1.30, r2= 1.80, r3= 3.43, r4= 3.93,  &end
#
#   77 MET   HA     78 SER  HA       4.42
 &rst
  ixpk= 0, nxpk= 0, iat=1876,1893, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92,  &end
#
#   77 MET   HB2    77 MET  QE       3.68
 &rst
  ixpk= 0, nxpk= 0, iat=1878,  -1, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92,
 igr2=1885,1886,1887,
 &end
#
#   77 MET   HB2    78 SER  H        4.32
 &rst
  ixpk= 0, nxpk= 0, iat=1878,1891, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82,  &end
#
#   77 MET   HB2    97 LYS  HA       5.28
 &rst
  ixpk= 0, nxpk= 0, iat=1878,2179, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,  &end
#
#   77 MET   HB3    78 SER  H        4.33
 &rst
  ixpk= 0, nxpk= 0, iat=1879,1891, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,  &end
#
#   77 MET   HB3    97 LYS  HA       3.98
 &rst
  ixpk= 0, nxpk= 0, iat=1879,2179, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48,  &end
#
#   77 MET   HG2    78 SER  H        4.95
 &rst
  ixpk= 0, nxpk= 0, iat=1881,1891, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,  &end
#
#   77 MET   HG2    97 LYS  H        5.35
 &rst
  ixpk= 0, nxpk= 0, iat=1881,2177, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85,  &end
#
#   77 MET   HG2    97 LYS  HA       4.84
 &rst
  ixpk= 0, nxpk= 0, iat=1881,2179, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,  &end
#
#   77 MET   HG2    97 LYS  HG2      5.58
 &rst
  ixpk= 0, nxpk= 0, iat=1881,2184, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08,  &end
#
#   77 MET   HG3    77 MET  QE       4.00
 &rst
  ixpk= 0, nxpk= 0, iat=1882,  -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr2=1885,1886,1887,
 &end
#
#   77 MET   HG3    78 SER  H        5.06
 &rst
  ixpk= 0, nxpk= 0, iat=1882,1891, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,  &end
#
#   77 MET   HG3    96 ALA  QB       4.01
 &rst
  ixpk= 0, nxpk= 0, iat=1882,  -1, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32,
 igr2=2171,2172,2173,
 &end
#
#   77 MET   HG3    97 LYS  H        4.53
 &rst
  ixpk= 0, nxpk= 0, iat=1882,2177, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,  &end
#
#   77 MET   HG3    97 LYS  HA       4.56
 &rst
  ixpk= 0, nxpk= 0, iat=1882,2179, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06,  &end
#
#   77 MET   HG3    97 LYS  HB2      4.87
 &rst
  ixpk= 0, nxpk= 0, iat=1882,2181, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37,  &end
#
#   77 MET   HG3    97 LYS  HG2      4.76
 &rst
  ixpk= 0, nxpk= 0, iat=1882,2184, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,  &end
#
#   77 MET   HG3    97 LYS  QD       4.78
 &rst
  ixpk= 0, nxpk= 0, iat=1882,  -1, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,
 igr2=2187,2188,
 &end
#
#   77 MET   QE     79 VAL  QG2      5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
 igr1=1885,1886,1887,
 igr2=1912,1913,1914,
 &end
#
#   77 MET   QE     97 LYS  HA       4.70
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2179, r1= 1.30, r2= 1.80, r3= 5.64, r4= 6.14,
 igr1=1885,1886,1887,
 &end
#
#   77 MET   QE     97 LYS  HG2      3.96
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2184, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
 igr1=1885,1886,1887,
 &end
#
#   77 MET   QE     97 LYS  QD       3.39
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07,
 igr1=1885,1886,1887,
 igr2=2187,2188,
 &end
#
#   78 SER   H      78 SER  HB2      4.11
 &rst
  ixpk= 0, nxpk= 0, iat=1891,1895, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,  &end
#
#   78 SER   H      87 GLU  HA       5.07
 &rst
  ixpk= 0, nxpk= 0, iat=1891,2028, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,  &end
#
#   78 SER   HA     79 VAL  H        3.35
 &rst
  ixpk= 0, nxpk= 0, iat=1893,1902, r1= 1.30, r2= 1.80, r3= 3.35, r4= 3.85,  &end
#
#   78 SER   HA     79 VAL  HA       4.79
 &rst
  ixpk= 0, nxpk= 0, iat=1893,1904, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,  &end
#
#   78 SER   HA     79 VAL  QG2      4.83
 &rst
  ixpk= 0, nxpk= 0, iat=1893,  -1, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
 igr2=1912,1913,1914,
 &end
#
#   78 SER   HA     85 PHE  HE       4.67
 &rst
  ixpk= 0, nxpk= 0, iat=1893,  -1, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,
 igr2=1996,2000,
 &end
#
#   78 SER   HA     86 PHE  H        4.95
 &rst
  ixpk= 0, nxpk= 0, iat=1893,2006, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,  &end
#
#   78 SER   HA     87 GLU  HA       2.87
 &rst
  ixpk= 0, nxpk= 0, iat=1893,2028, r1= 1.30, r2= 1.80, r3= 2.87, r4= 3.37,  &end
#
#   78 SER   HA     87 GLU  QB       4.36
 &rst
  ixpk= 0, nxpk= 0, iat=1893,  -1, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39,
 igr2=2030,2031,
 &end
#
#   78 SER   HA     87 GLU  QG       4.35
 &rst
  ixpk= 0, nxpk= 0, iat=1893,  -1, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,
 igr2=2033,2034,
 &end
#
#   78 SER   HA     88 GLY  H        4.26
 &rst
  ixpk= 0, nxpk= 0, iat=1893,2041, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76,  &end
#
#   78 SER   HA    100 ALA  QB       3.91
 &rst
  ixpk= 0, nxpk= 0, iat=1893,  -1, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,
 igr2=2237,2238,2239,
 &end
#
#   78 SER   HB2    79 VAL  H        3.67
 &rst
  ixpk= 0, nxpk= 0, iat=1895,1902, r1= 1.30, r2= 1.80, r3= 3.67, r4= 4.17,  &end
#
#   78 SER   HB2    85 PHE  HE       4.43
 &rst
  ixpk= 0, nxpk= 0, iat=1895,  -1, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47,
 igr2=1996,2000,
 &end
#
#   78 SER   HB2    87 GLU  HA       3.96
 &rst
  ixpk= 0, nxpk= 0, iat=1895,2028, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,  &end
#
#   78 SER   HB2    87 GLU  QB       4.39
 &rst
  ixpk= 0, nxpk= 0, iat=1895,  -1, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43,
 igr2=2030,2031,
 &end
#
#   78 SER   HB2    87 GLU  QG       4.59
 &rst
  ixpk= 0, nxpk= 0, iat=1895,  -1, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,
 igr2=2033,2034,
 &end
#
#   78 SER   HB3    85 PHE  HE       4.19
 &rst
  ixpk= 0, nxpk= 0, iat=1896,  -1, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,
 igr2=1996,2000,
 &end
#
#   78 SER   HB3    87 GLU  HA       3.91
 &rst
  ixpk= 0, nxpk= 0, iat=1896,2028, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41,  &end
#
#   78 SER   HB3    87 GLU  QB       4.46
 &rst
  ixpk= 0, nxpk= 0, iat=1896,  -1, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51,
 igr2=2030,2031,
 &end
#
#   78 SER   HB3    87 GLU  QG       4.66
 &rst
  ixpk= 0, nxpk= 0, iat=1896,  -1, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73,
 igr2=2033,2034,
 &end
#
#   79 VAL   H      79 VAL  QG1      4.76
 &rst
  ixpk= 0, nxpk= 0, iat=1902,  -1, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,
 igr2=1908,1909,1910,
 &end
#
#   79 VAL   H      79 VAL  QG2      3.84
 &rst
  ixpk= 0, nxpk= 0, iat=1902,  -1, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,
 igr2=1912,1913,1914,
 &end
#
#   79 VAL   H      80 VAL  H        4.64
 &rst
  ixpk= 0, nxpk= 0, iat=1902,1918, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,  &end
#
#   79 VAL   H      86 PHE  HB3      4.97
 &rst
  ixpk= 0, nxpk= 0, iat=1902,2011, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47,  &end
#
#   79 VAL   H      87 GLU  HA       4.18
 &rst
  ixpk= 0, nxpk= 0, iat=1902,2028, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68,  &end
#
#   79 VAL   H     100 ALA  QB       4.25
 &rst
  ixpk= 0, nxpk= 0, iat=1902,  -1, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
 igr2=2237,2238,2239,
 &end
#
#   79 VAL   HA     79 VAL  QG1      3.19
 &rst
  ixpk= 0, nxpk= 0, iat=1904,  -1, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33,
 igr2=1908,1909,1910,
 &end
#
#   79 VAL   HA     79 VAL  QG2      3.79
 &rst
  ixpk= 0, nxpk= 0, iat=1904,  -1, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05,
 igr2=1912,1913,1914,
 &end
#
#   79 VAL   HA     80 VAL  H        3.17
 &rst
  ixpk= 0, nxpk= 0, iat=1904,1918, r1= 1.30, r2= 1.80, r3= 3.17, r4= 3.67,  &end
#
#   79 VAL   HA     80 VAL  HA       4.58
 &rst
  ixpk= 0, nxpk= 0, iat=1904,1920, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,  &end
#
#   79 VAL   HA     80 VAL  QG2      4.78
 &rst
  ixpk= 0, nxpk= 0, iat=1904,  -1, r1= 1.30, r2= 1.80, r3= 5.74, r4= 6.24,
 igr2=1928,1929,1930,
 &end
#
#   79 VAL   HB     80 VAL  H        4.15
 &rst
  ixpk= 0, nxpk= 0, iat=1906,1918, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65,  &end
#
#   79 VAL   QG1    80 VAL  H        3.66
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1918, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,
 igr1=1908,1909,1910,
 &end
#
#   79 VAL   QG1    81 VAL  HA       4.94
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1936, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43,
 igr1=1908,1909,1910,
 &end
#
#   79 VAL   QG1    81 VAL  QQG      3.86
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.25, r4= 6.75,
 igr1=1908,1909,1910,
 igr2=1940,1941,1942,1944,1945,1946,
 &end
#
#   79 VAL   QG1    86 PHE  HE       6.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1=1908,1909,1910,
 igr2=2016,2020,
 &end
#
#   79 VAL   QG1   100 ALA  QB       5.42
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.82, r4= 8.32,
 igr1=1908,1909,1910,
 igr2=2237,2238,2239,
 &end
#
#   79 VAL   QG1   101 ALA  HA       5.35
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2245, r1= 1.30, r2= 1.80, r3= 6.43, r4= 6.93,
 igr1=1908,1909,1910,
 &end
#
#   79 VAL   QG1   104 ALA  QB       5.19
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.49, r4= 7.99,
 igr1=1908,1909,1910,
 igr2=2285,2286,2287,
 &end
#
#   79 VAL   QG2    81 VAL  QQG      3.93
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1=1912,1913,1914,
 igr2=1940,1941,1942,1944,1945,1946,
 &end
#
#   79 VAL   QG2    86 PHE  H        4.51
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2006, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,
 igr1=1912,1913,1914,
 &end
#
#   79 VAL   QG2    86 PHE  HA       5.13
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2008, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66,
 igr1=1912,1913,1914,
 &end
#
#   79 VAL   QG2    86 PHE  HB2      4.11
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2010, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
 igr1=1912,1913,1914,
 &end
#
#   79 VAL   QG2    86 PHE  HB3      4.32
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2011, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,
 igr1=1912,1913,1914,
 &end
#
#   79 VAL   QG2    86 PHE  HE       5.45
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.35, r4= 7.85,
 igr1=1912,1913,1914,
 igr2=2016,2020,
 &end
#
#   79 VAL   QG2   100 ALA  QB       3.88
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,
 igr1=1912,1913,1914,
 igr2=2237,2238,2239,
 &end
#
#   79 VAL   QG2   101 ALA  H        5.34
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2243, r1= 1.30, r2= 1.80, r3= 6.41, r4= 6.91,
 igr1=1912,1913,1914,
 &end
#
#   79 VAL   QG2   101 ALA  HA       4.26
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2245, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
 igr1=1912,1913,1914,
 &end
#
#   79 VAL   QG2   103 SER  QB       4.77
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.43, r4= 6.93,
 igr1=1912,1913,1914,
 igr2=2274,2275,
 &end
#
#   79 VAL   QG2   104 ALA  HA       4.89
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2283, r1= 1.30, r2= 1.80, r3= 5.87, r4= 6.37,
 igr1=1912,1913,1914,
 &end
#
#   79 VAL   QG2   104 ALA  QB       4.09
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,
 igr1=1912,1913,1914,
 igr2=2285,2286,2287,
 &end
#
#   80 VAL   H      80 VAL  HB       3.45
 &rst
  ixpk= 0, nxpk= 0, iat=1918,1922, r1= 1.30, r2= 1.80, r3= 3.45, r4= 3.95,  &end
#
#   80 VAL   H      80 VAL  QG1      4.13
 &rst
  ixpk= 0, nxpk= 0, iat=1918,  -1, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,
 igr2=1924,1925,1926,
 &end
#
#   80 VAL   H      80 VAL  QG2      3.82
 &rst
  ixpk= 0, nxpk= 0, iat=1918,  -1, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09,
 igr2=1928,1929,1930,
 &end
#
#   80 VAL   H      81 VAL  H        4.90
 &rst
  ixpk= 0, nxpk= 0, iat=1918,1934, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,  &end
#
#   80 VAL   H      81 VAL  QQG      4.88
 &rst
  ixpk= 0, nxpk= 0, iat=1918,  -1, r1= 1.30, r2= 1.80, r3= 6.58, r4= 7.08,
 igr2=1940,1941,1942,1944,1945,1946,
 &end
#
#   80 VAL   HA     80 VAL  QG1      3.48
 &rst
  ixpk= 0, nxpk= 0, iat=1920,  -1, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68,
 igr2=1924,1925,1926,
 &end
#
#   80 VAL   HA     80 VAL  QG2      3.42
 &rst
  ixpk= 0, nxpk= 0, iat=1920,  -1, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,
 igr2=1928,1929,1930,
 &end
#
#   80 VAL   HA     81 VAL  H        3.25
 &rst
  ixpk= 0, nxpk= 0, iat=1920,1934, r1= 1.30, r2= 1.80, r3= 3.25, r4= 3.75,  &end
#
#   80 VAL   HA     81 VAL  HB       5.50
 &rst
  ixpk= 0, nxpk= 0, iat=1920,1938, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   80 VAL   HA     81 VAL  QQG      5.18
 &rst
  ixpk= 0, nxpk= 0, iat=1920,  -1, r1= 1.30, r2= 1.80, r3= 6.98, r4= 7.48,
 igr2=1940,1941,1942,1944,1945,1946,
 &end
#
#   80 VAL   HA     85 PHE  HA       3.18
 &rst
  ixpk= 0, nxpk= 0, iat=1920,1988, r1= 1.30, r2= 1.80, r3= 3.18, r4= 3.68,  &end
#
#   80 VAL   HA     85 PHE  HB2      4.27
 &rst
  ixpk= 0, nxpk= 0, iat=1920,1990, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,  &end
#
#   80 VAL   HA     85 PHE  HD       4.63
 &rst
  ixpk= 0, nxpk= 0, iat=1920,  -1, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,
 igr2=1994,2002,
 &end
#
#   80 VAL   HA     86 PHE  H        4.18
 &rst
  ixpk= 0, nxpk= 0, iat=1920,2006, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68,  &end
#
#   80 VAL   HA     86 PHE  HE       4.71
 &rst
  ixpk= 0, nxpk= 0, iat=1920,  -1, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79,
 igr2=2016,2020,
 &end
#
#   80 VAL   HB     81 VAL  H        4.34
 &rst
  ixpk= 0, nxpk= 0, iat=1922,1934, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84,  &end
#
#   80 VAL   HB     85 PHE  HA       5.24
 &rst
  ixpk= 0, nxpk= 0, iat=1922,1988, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,  &end
#
#   80 VAL   QG1    81 VAL  H        3.94
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1934, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,
 igr1=1924,1925,1926,
 &end
#
#   80 VAL   QG1    81 VAL  HA       4.75
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1936, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,
 igr1=1924,1925,1926,
 &end
#
#   80 VAL   QG1    81 VAL  HB       5.26
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1938, r1= 1.30, r2= 1.80, r3= 6.32, r4= 6.82,
 igr1=1924,1925,1926,
 &end
#
#   80 VAL   QG1    82 ASP  H        5.39
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1950, r1= 1.30, r2= 1.80, r3= 6.47, r4= 6.97,
 igr1=1924,1925,1926,
 &end
#
#   80 VAL   QG1    82 ASP  HA       5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1952, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=1924,1925,1926,
 &end
#
#   80 VAL   QG1    83 GLY  H        3.93
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1962, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1=1924,1925,1926,
 &end
#
#   80 VAL   QG1    83 GLY  HA2      4.06
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1964, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,
 igr1=1924,1925,1926,
 &end
#
#   80 VAL   QG1    83 GLY  HA3      4.29
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1965, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,
 igr1=1924,1925,1926,
 &end
#
#   80 VAL   QG1    84 GLN  H        4.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1969, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1=1924,1925,1926,
 &end
#
#   80 VAL   QG1    85 PHE  H        5.34
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1986, r1= 1.30, r2= 1.80, r3= 6.41, r4= 6.91,
 igr1=1924,1925,1926,
 &end
#
#   80 VAL   QG1    85 PHE  HA       3.87
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1988, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,
 igr1=1924,1925,1926,
 &end
#
#   80 VAL   QG1    85 PHE  HB2      4.38
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1990, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76,
 igr1=1924,1925,1926,
 &end
#
#   80 VAL   QG1    85 PHE  HD       4.54
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.12, r4= 6.62,
 igr1=1924,1925,1926,
 igr2=1994,2002,
 &end
#
#   80 VAL   QG1    86 PHE  HE       5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1924,1925,1926,
 igr2=2016,2020,
 &end
#
#   80 VAL   QG2    81 VAL  H        4.28
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1934, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
 igr1=1928,1929,1930,
 &end
#
#   80 VAL   QG2    83 GLY  H        5.45
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1962, r1= 1.30, r2= 1.80, r3= 6.55, r4= 7.05,
 igr1=1928,1929,1930,
 &end
#
#   80 VAL   QG2    83 GLY  HA2      5.15
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1964, r1= 1.30, r2= 1.80, r3= 6.18, r4= 6.68,
 igr1=1928,1929,1930,
 &end
#
#   80 VAL   QG2    85 PHE  HA       3.62
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1988, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85,
 igr1=1928,1929,1930,
 &end
#
#   80 VAL   QG2    85 PHE  HB2      3.86
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1990, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,
 igr1=1928,1929,1930,
 &end
#
#   80 VAL   QG2    85 PHE  HB3      4.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1991, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=1928,1929,1930,
 &end
#
#   80 VAL   QG2    85 PHE  HD       3.65
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,
 igr1=1928,1929,1930,
 igr2=1994,2002,
 &end
#
#   80 VAL   QG2    85 PHE  HE       4.16
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1928,1929,1930,
 igr2=1996,2000,
 &end
#
#   80 VAL   QG2    86 PHE  H        4.61
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2006, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,
 igr1=1928,1929,1930,
 &end
#
#   81 VAL   H      81 VAL  HB       3.88
 &rst
  ixpk= 0, nxpk= 0, iat=1934,1938, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38,  &end
#
#   81 VAL   H      81 VAL  QQG      3.94
 &rst
  ixpk= 0, nxpk= 0, iat=1934,  -1, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,
 igr2=1940,1941,1942,1944,1945,1946,
 &end
#
#   81 VAL   H      84 GLN  H        4.08
 &rst
  ixpk= 0, nxpk= 0, iat=1934,1969, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58,  &end
#
#   81 VAL   H      85 PHE  H        5.14
 &rst
  ixpk= 0, nxpk= 0, iat=1934,1986, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,  &end
#
#   81 VAL   H      86 PHE  H        4.91
 &rst
  ixpk= 0, nxpk= 0, iat=1934,2006, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,  &end
#
#   81 VAL   H      86 PHE  HE       3.93
 &rst
  ixpk= 0, nxpk= 0, iat=1934,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr2=2016,2020,
 &end
#
#   81 VAL   HA     81 VAL  QQG      3.15
 &rst
  ixpk= 0, nxpk= 0, iat=1936,  -1, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75,
 igr2=1940,1941,1942,1944,1945,1946,
 &end
#
#   81 VAL   HA     82 ASP  H        3.46
 &rst
  ixpk= 0, nxpk= 0, iat=1936,1950, r1= 1.30, r2= 1.80, r3= 3.46, r4= 3.96,  &end
#
#   81 VAL   HA     83 GLY  H        4.80
 &rst
  ixpk= 0, nxpk= 0, iat=1936,1962, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,  &end
#
#   81 VAL   HA    108 VAL  QG1      5.50
 &rst
  ixpk= 0, nxpk= 0, iat=1936,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=2340,2341,2342,
 &end
#
#   81 VAL   HB    108 VAL  QG1      4.65
 &rst
  ixpk= 0, nxpk= 0, iat=1938,  -1, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08,
 igr2=2340,2341,2342,
 &end
#
#   81 VAL   HB    108 VAL  QG2      4.10
 &rst
  ixpk= 0, nxpk= 0, iat=1938,  -1, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,
 igr2=2344,2345,2346,
 &end
#
#   81 VAL   QQG    82 ASP  H        4.05
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1950, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96,
 igr1=1940,1941,1942,1944,1945,1946,
 &end
#
#   81 VAL   QQG    82 ASP  HB2      4.79
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1954, r1= 1.30, r2= 1.80, r3= 6.46, r4= 6.96,
 igr1=1940,1941,1942,1944,1945,1946,
 &end
#
#   81 VAL   QQG    84 GLN  H        4.81
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1969, r1= 1.30, r2= 1.80, r3= 6.48, r4= 6.98,
 igr1=1940,1941,1942,1944,1945,1946,
 &end
#
#   81 VAL   QQG    86 PHE  H        5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2006, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1940,1941,1942,1944,1945,1946,
 &end
#
#   81 VAL   QQG    86 PHE  HZ       5.08
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2018, r1= 1.30, r2= 1.80, r3= 6.85, r4= 7.35,
 igr1=1940,1941,1942,1944,1945,1946,
 &end
#
#   81 VAL   QQG    86 PHE  HE       3.58
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,
 igr1=1940,1941,1942,1944,1945,1946,
 igr2=2016,2020,
 &end
#
#   81 VAL   QQG   108 VAL  QG1      4.02
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.51, r4= 7.01,
 igr1=1940,1941,1942,1944,1945,1946,
 igr2=2340,2341,2342,
 &end
#
#   81 VAL   QQG   109 PHE  HE       4.42
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.69, r4= 7.19,
 igr1=1940,1941,1942,1944,1945,1946,
 igr2=2360,2364,
 &end
#
#   82 ASP   H      83 GLY  H        4.41
 &rst
  ixpk= 0, nxpk= 0, iat=1950,1962, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,  &end
#
#   82 ASP   HA    108 VAL  QG1      5.30
 &rst
  ixpk= 0, nxpk= 0, iat=1952,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr2=2340,2341,2342,
 &end
#
#   82 ASP   HB2    84 GLN  HNE2     4.77
 &rst
  ixpk= 0, nxpk= 0, iat=1954,1982, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,  &end
#
#   82 ASP   HB2   108 VAL  QG1      4.66
 &rst
  ixpk= 0, nxpk= 0, iat=1954,  -1, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,
 igr2=2340,2341,2342,
 &end
#
#   82 ASP   HB2   108 VAL  QG2      4.90
 &rst
  ixpk= 0, nxpk= 0, iat=1954,  -1, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
 igr2=2344,2345,2346,
 &end
#
#   82 ASP   HB3    83 GLY  H        4.73
 &rst
  ixpk= 0, nxpk= 0, iat=1955,1962, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,  &end
#
#   82 ASP   HB3    84 GLN  HNE2     5.15
 &rst
  ixpk= 0, nxpk= 0, iat=1955,1982, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,  &end
#
#   82 ASP   HB3   108 VAL  HA       5.10
 &rst
  ixpk= 0, nxpk= 0, iat=1955,2336, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,  &end
#
#   82 ASP   HB3   108 VAL  QG1      4.66
 &rst
  ixpk= 0, nxpk= 0, iat=1955,  -1, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,
 igr2=2340,2341,2342,
 &end
#
#   82 ASP   HB3   108 VAL  QG2      4.79
 &rst
  ixpk= 0, nxpk= 0, iat=1955,  -1, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25,
 igr2=2344,2345,2346,
 &end
#
#   83 GLY   H      84 GLN  H        4.26
 &rst
  ixpk= 0, nxpk= 0, iat=1962,1969, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76,  &end
#
#   83 GLY   HA3    84 GLN  HA       4.41
 &rst
  ixpk= 0, nxpk= 0, iat=1965,1971, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,  &end
#
#   84 GLN   H      84 GLN  HB2      3.79
 &rst
  ixpk= 0, nxpk= 0, iat=1969,1973, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29,  &end
#
#   84 GLN   H      84 GLN  HB3      3.52
 &rst
  ixpk= 0, nxpk= 0, iat=1969,1974, r1= 1.30, r2= 1.80, r3= 3.52, r4= 4.02,  &end
#
#   84 GLN   H      86 PHE  HE       4.33
 &rst
  ixpk= 0, nxpk= 0, iat=1969,  -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
 igr2=2016,2020,
 &end
#
#   84 GLN   HA     84 GLN  HG2      3.55
 &rst
  ixpk= 0, nxpk= 0, iat=1971,1976, r1= 1.30, r2= 1.80, r3= 3.55, r4= 4.05,  &end
#
#   84 GLN   HA     84 GLN  HG3      3.69
 &rst
  ixpk= 0, nxpk= 0, iat=1971,1977, r1= 1.30, r2= 1.80, r3= 3.69, r4= 4.19,  &end
#
#   84 GLN   HA     85 PHE  H        3.03
 &rst
  ixpk= 0, nxpk= 0, iat=1971,1986, r1= 1.30, r2= 1.80, r3= 3.03, r4= 3.53,  &end
#
#   84 GLN   HA     86 PHE  HE       4.67
 &rst
  ixpk= 0, nxpk= 0, iat=1971,  -1, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,
 igr2=2016,2020,
 &end
#
#   84 GLN   HB2    85 PHE  H        4.01
 &rst
  ixpk= 0, nxpk= 0, iat=1973,1986, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51,  &end
#
#   84 GLN   HB2    86 PHE  HZ       4.35
 &rst
  ixpk= 0, nxpk= 0, iat=1973,2018, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85,  &end
#
#   84 GLN   HB2    86 PHE  HE       3.75
 &rst
  ixpk= 0, nxpk= 0, iat=1973,  -1, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71,
 igr2=2016,2020,
 &end
#
#   84 GLN   HB2   107 THR  HB       5.43
 &rst
  ixpk= 0, nxpk= 0, iat=1973,2324, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,  &end
#
#   84 GLN   HB2   108 VAL  QG2      3.50
 &rst
  ixpk= 0, nxpk= 0, iat=1973,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2=2344,2345,2346,
 &end
#
#   84 GLN   HB3    85 PHE  H        4.71
 &rst
  ixpk= 0, nxpk= 0, iat=1974,1986, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,  &end
#
#   84 GLN   HB3    86 PHE  HZ       4.37
 &rst
  ixpk= 0, nxpk= 0, iat=1974,2018, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87,  &end
#
#   84 GLN   HB3    86 PHE  HE       3.26
 &rst
  ixpk= 0, nxpk= 0, iat=1974,  -1, r1= 1.30, r2= 1.80, r3= 3.66, r4= 4.16,
 igr2=2016,2020,
 &end
#
#   84 GLN   HNE1  107 THR  QG2      4.95
 &rst
  ixpk= 0, nxpk= 0, iat=1981,  -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
 igr2=2326,2327,2328,
 &end
#
#   84 GLN   HNE1  108 VAL  HA       5.16
 &rst
  ixpk= 0, nxpk= 0, iat=1981,2336, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,  &end
#
#   84 GLN   HNE1  108 VAL  QG1      4.67
 &rst
  ixpk= 0, nxpk= 0, iat=1981,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=2340,2341,2342,
 &end
#
#   84 GLN   HNE1  108 VAL  QG2      4.64
 &rst
  ixpk= 0, nxpk= 0, iat=1981,  -1, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07,
 igr2=2344,2345,2346,
 &end
#
#   84 GLN   HNE2  107 THR  QG2      5.50
 &rst
  ixpk= 0, nxpk= 0, iat=1982,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=2326,2327,2328,
 &end
#
#   84 GLN   HNE2  108 VAL  QG1      5.44
 &rst
  ixpk= 0, nxpk= 0, iat=1982,  -1, r1= 1.30, r2= 1.80, r3= 6.53, r4= 7.03,
 igr2=2340,2341,2342,
 &end
#
#   84 GLN   HNE2  108 VAL  QG2      5.05
 &rst
  ixpk= 0, nxpk= 0, iat=1982,  -1, r1= 1.30, r2= 1.80, r3= 6.06, r4= 6.56,
 igr2=2344,2345,2346,
 &end
#
#   84 GLN   HG2    86 PHE  HE       4.65
 &rst
  ixpk= 0, nxpk= 0, iat=1976,  -1, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
 igr2=2016,2020,
 &end
#
#   84 GLN   HG3    84 GLN  HNE2     3.68
 &rst
  ixpk= 0, nxpk= 0, iat=1977,1982, r1= 1.30, r2= 1.80, r3= 3.68, r4= 4.18,  &end
#
#   84 GLN   HG3    86 PHE  HZ       5.00
 &rst
  ixpk= 0, nxpk= 0, iat=1977,2018, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   84 GLN   HG3    86 PHE  HE       4.33
 &rst
  ixpk= 0, nxpk= 0, iat=1977,  -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
 igr2=2016,2020,
 &end
#
#   84 GLN   HG3   108 VAL  QG1      5.50
 &rst
  ixpk= 0, nxpk= 0, iat=1977,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=2340,2341,2342,
 &end
#
#   85 PHE   H      85 PHE  HB2      3.36
 &rst
  ixpk= 0, nxpk= 0, iat=1986,1990, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,  &end
#
#   85 PHE   H      85 PHE  HD       4.39
 &rst
  ixpk= 0, nxpk= 0, iat=1986,  -1, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43,
 igr2=1994,2002,
 &end
#
#   85 PHE   HA     85 PHE  HD       3.73
 &rst
  ixpk= 0, nxpk= 0, iat=1988,  -1, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69,
 igr2=1994,2002,
 &end
#
#   85 PHE   HA     85 PHE  HE       4.85
 &rst
  ixpk= 0, nxpk= 0, iat=1988,  -1, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94,
 igr2=1996,2000,
 &end
#
#   85 PHE   HA     86 PHE  HE       4.48
 &rst
  ixpk= 0, nxpk= 0, iat=1988,  -1, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,
 igr2=2016,2020,
 &end
#
#   85 PHE   HD     86 PHE  H        5.33
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2006, r1= 1.30, r2= 1.80, r3= 5.98, r4= 6.48,
 igr1=1994,2002,
 &end
#
#   85 PHE   HD     86 PHE  HA       4.57
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2008, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63,
 igr1=1994,2002,
 &end
#
#   85 PHE   HD     87 GLU  H        5.28
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2026, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43,
 igr1=1994,2002,
 &end
#
#   85 PHE   HE     87 GLU  HA       4.89
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2028, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99,
 igr1=1996,2000,
 &end
#
#   85 PHE   HE     87 GLU  QB       4.37
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01,
 igr1=1996,2000,
 igr2=2030,2031,
 &end
#
#   85 PHE   HE     87 GLU  QG       4.68
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,
 igr1=1996,2000,
 igr2=2033,2034,
 &end
#
#   86 PHE   H      86 PHE  HB2      3.77
 &rst
  ixpk= 0, nxpk= 0, iat=2006,2010, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,  &end
#
#   86 PHE   H      86 PHE  HB3      4.16
 &rst
  ixpk= 0, nxpk= 0, iat=2006,2011, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66,  &end
#
#   86 PHE   H     100 ALA  QB       5.47
 &rst
  ixpk= 0, nxpk= 0, iat=2006,  -1, r1= 1.30, r2= 1.80, r3= 6.57, r4= 7.07,
 igr2=2237,2238,2239,
 &end
#
#   86 PHE   HA     87 GLU  H        3.10
 &rst
  ixpk= 0, nxpk= 0, iat=2008,2026, r1= 1.30, r2= 1.80, r3= 3.10, r4= 3.60,  &end
#
#   86 PHE   HA    104 ALA  QB       5.35
 &rst
  ixpk= 0, nxpk= 0, iat=2008,  -1, r1= 1.30, r2= 1.80, r3= 6.43, r4= 6.93,
 igr2=2285,2286,2287,
 &end
#
#   86 PHE   HB2    87 GLU  H        4.11
 &rst
  ixpk= 0, nxpk= 0, iat=2010,2026, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,  &end
#
#   86 PHE   HB2   100 ALA  HA       4.39
 &rst
  ixpk= 0, nxpk= 0, iat=2010,2235, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89,  &end
#
#   86 PHE   HB2   103 SER  QB       4.25
 &rst
  ixpk= 0, nxpk= 0, iat=2010,  -1, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,
 igr2=2274,2275,
 &end
#
#   86 PHE   HB2   104 ALA  HA       4.34
 &rst
  ixpk= 0, nxpk= 0, iat=2010,2283, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84,  &end
#
#   86 PHE   HB2   104 ALA  QB       4.68
 &rst
  ixpk= 0, nxpk= 0, iat=2010,  -1, r1= 1.30, r2= 1.80, r3= 5.62, r4= 6.12,
 igr2=2285,2286,2287,
 &end
#
#   86 PHE   HB3    87 GLU  H        3.95
 &rst
  ixpk= 0, nxpk= 0, iat=2011,2026, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45,  &end
#
#   86 PHE   HB3   100 ALA  HA       4.52
 &rst
  ixpk= 0, nxpk= 0, iat=2011,2235, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02,  &end
#
#   86 PHE   HB3   100 ALA  QB       4.73
 &rst
  ixpk= 0, nxpk= 0, iat=2011,  -1, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18,
 igr2=2237,2238,2239,
 &end
#
#   86 PHE   HB3   103 SER  QB       4.03
 &rst
  ixpk= 0, nxpk= 0, iat=2011,  -1, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02,
 igr2=2274,2275,
 &end
#
#   86 PHE   HB3   104 ALA  H        4.77
 &rst
  ixpk= 0, nxpk= 0, iat=2011,2281, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,  &end
#
#   86 PHE   HB3   104 ALA  HA       4.66
 &rst
  ixpk= 0, nxpk= 0, iat=2011,2283, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,  &end
#
#   86 PHE   HB3   104 ALA  QB       4.72
 &rst
  ixpk= 0, nxpk= 0, iat=2011,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr2=2285,2286,2287,
 &end
#
#   86 PHE   HZ    104 ALA  HA       4.28
 &rst
  ixpk= 0, nxpk= 0, iat=2018,2283, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78,  &end
#
#   86 PHE   HZ    104 ALA  QB       5.36
 &rst
  ixpk= 0, nxpk= 0, iat=2018,  -1, r1= 1.30, r2= 1.80, r3= 6.44, r4= 6.94,
 igr2=2285,2286,2287,
 &end
#
#   86 PHE   HZ    107 THR  H        5.10
 &rst
  ixpk= 0, nxpk= 0, iat=2018,2320, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,  &end
#
#   86 PHE   HZ    107 THR  HA       4.94
 &rst
  ixpk= 0, nxpk= 0, iat=2018,2322, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,  &end
#
#   86 PHE   HZ    107 THR  HB       3.80
 &rst
  ixpk= 0, nxpk= 0, iat=2018,2324, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30,  &end
#
#   86 PHE   HZ    107 THR  QG2      3.71
 &rst
  ixpk= 0, nxpk= 0, iat=2018,  -1, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96,
 igr2=2326,2327,2328,
 &end
#
#   86 PHE   HZ    108 VAL  H        5.27
 &rst
  ixpk= 0, nxpk= 0, iat=2018,2334, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77,  &end
#
#   86 PHE   HZ    108 VAL  HA       5.25
 &rst
  ixpk= 0, nxpk= 0, iat=2018,2336, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75,  &end
#
#   86 PHE   HZ    108 VAL  QG1      5.42
 &rst
  ixpk= 0, nxpk= 0, iat=2018,  -1, r1= 1.30, r2= 1.80, r3= 6.51, r4= 7.01,
 igr2=2340,2341,2342,
 &end
#
#   86 PHE   HZ    108 VAL  QG2      3.61
 &rst
  ixpk= 0, nxpk= 0, iat=2018,  -1, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84,
 igr2=2344,2345,2346,
 &end
#
#   86 PHE   HE    103 SER  HA       4.96
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2272, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07,
 igr1=2016,2020,
 &end
#
#   86 PHE   HE    103 SER  QB       3.54
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96,
 igr1=2016,2020,
 igr2=2274,2275,
 &end
#
#   86 PHE   HE    104 ALA  HA       3.56
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2283, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
 igr1=2016,2020,
 &end
#
#   86 PHE   HE    104 ALA  QB       3.82
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,
 igr1=2016,2020,
 igr2=2285,2286,2287,
 &end
#
#   86 PHE   HE    107 THR  H        4.24
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2320, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
 igr1=2016,2020,
 &end
#
#   86 PHE   HE    107 THR  HA       4.72
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2322, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1=2016,2020,
 &end
#
#   86 PHE   HE    107 THR  HB       3.26
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2324, r1= 1.30, r2= 1.80, r3= 3.66, r4= 4.16,
 igr1=2016,2020,
 &end
#
#   86 PHE   HE    107 THR  QG2      3.31
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96,
 igr1=2016,2020,
 igr2=2326,2327,2328,
 &end
#
#   86 PHE   HE    108 VAL  HA       5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2336, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=2016,2020,
 &end
#
#   86 PHE   HE    108 VAL  QG1      4.99
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1=2016,2020,
 igr2=2340,2341,2342,
 &end
#
#   86 PHE   HE    108 VAL  QG2      3.36
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
 igr1=2016,2020,
 igr2=2344,2345,2346,
 &end
#
#   87 GLU   H      87 GLU  QB       3.53
 &rst
  ixpk= 0, nxpk= 0, iat=2026,  -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
 igr2=2030,2031,
 &end
#
#   87 GLU   H     100 ALA  HA       5.02
 &rst
  ixpk= 0, nxpk= 0, iat=2026,2235, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52,  &end
#
#   87 GLU   H     100 ALA  QB       4.96
 &rst
  ixpk= 0, nxpk= 0, iat=2026,  -1, r1= 1.30, r2= 1.80, r3= 5.96, r4= 6.46,
 igr2=2237,2238,2239,
 &end
#
#   87 GLU   HA     87 GLU  QG       3.91
 &rst
  ixpk= 0, nxpk= 0, iat=2028,  -1, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89,
 igr2=2033,2034,
 &end
#
#   87 GLU   HA     88 GLY  H        3.37
 &rst
  ixpk= 0, nxpk= 0, iat=2028,2041, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,  &end
#
#   87 GLU   HA     88 GLY  HA3      4.63
 &rst
  ixpk= 0, nxpk= 0, iat=2028,2044, r1= 1.30, r2= 1.80, r3= 4.63, r4= 5.13,  &end
#
#   87 GLU   HA    100 ALA  HA       5.44
 &rst
  ixpk= 0, nxpk= 0, iat=2028,2235, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94,  &end
#
#   87 GLU   HA    100 ALA  QB       3.98
 &rst
  ixpk= 0, nxpk= 0, iat=2028,  -1, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28,
 igr2=2237,2238,2239,
 &end
#
#   87 GLU   QB     87 GLU  QG       2.83
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.57, r4= 4.07,
 igr1=2030,2031,
 igr2=2033,2034,
 &end
#
#   87 GLU   QG     88 GLY  H        4.42
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2041, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,
 igr1=2033,2034,
 &end
#
#   87 GLU   QG     88 GLY  HA2      4.94
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2043, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,
 igr1=2033,2034,
 &end
#
#   88 GLY   H      89 SER  H        4.84
 &rst
  ixpk= 0, nxpk= 0, iat=2041,2048, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,  &end
#
#   88 GLY   H     100 ALA  H        5.13
 &rst
  ixpk= 0, nxpk= 0, iat=2041,2233, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63,  &end
#
#   88 GLY   H     100 ALA  QB       3.98
 &rst
  ixpk= 0, nxpk= 0, iat=2041,  -1, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28,
 igr2=2237,2238,2239,
 &end
#
#   88 GLY   HA2    89 SER  H        3.45
 &rst
  ixpk= 0, nxpk= 0, iat=2043,2048, r1= 1.30, r2= 1.80, r3= 3.45, r4= 3.95,  &end
#
#   88 GLY   HA2    89 SER  QB       4.76
 &rst
  ixpk= 0, nxpk= 0, iat=2043,  -1, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
 igr2=2052,2053,
 &end
#
#   88 GLY   HA2    99 ARG  HB3      4.28
 &rst
  ixpk= 0, nxpk= 0, iat=2043,2214, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78,  &end
#
#   88 GLY   HA2    99 ARG  QD       4.90
 &rst
  ixpk= 0, nxpk= 0, iat=2043,  -1, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
 igr2=2219,2220,
 &end
#
#   88 GLY   HA2    99 ARG  QG       3.76
 &rst
  ixpk= 0, nxpk= 0, iat=2043,  -1, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72,
 igr2=2216,2217,
 &end
#
#   88 GLY   HA2   100 ALA  H        4.20
 &rst
  ixpk= 0, nxpk= 0, iat=2043,2233, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,  &end
#
#   88 GLY   HA2   100 ALA  QB       4.31
 &rst
  ixpk= 0, nxpk= 0, iat=2043,  -1, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68,
 igr2=2237,2238,2239,
 &end
#
#   88 GLY   HA3    99 ARG  QD       4.34
 &rst
  ixpk= 0, nxpk= 0, iat=2044,  -1, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37,
 igr2=2219,2220,
 &end
#
#   88 GLY   HA3    99 ARG  QG       3.96
 &rst
  ixpk= 0, nxpk= 0, iat=2044,  -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
 igr2=2216,2217,
 &end
#
#   88 GLY   HA3   100 ALA  QB       4.71
 &rst
  ixpk= 0, nxpk= 0, iat=2044,  -1, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
 igr2=2237,2238,2239,
 &end
#
#   89 SER   H      89 SER  QB       3.74
 &rst
  ixpk= 0, nxpk= 0, iat=2048,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2=2052,2053,
 &end
#
#   89 SER   H      96 ALA  QB       4.75
 &rst
  ixpk= 0, nxpk= 0, iat=2048,  -1, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,
 igr2=2171,2172,2173,
 &end
#
#   89 SER   H      99 ARG  QD       4.81
 &rst
  ixpk= 0, nxpk= 0, iat=2048,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2=2219,2220,
 &end
#
#   89 SER   HA     90 GLY  H        3.34
 &rst
  ixpk= 0, nxpk= 0, iat=2050,2059, r1= 1.30, r2= 1.80, r3= 3.34, r4= 3.84,  &end
#
#   89 SER   HA     90 GLY  HA3      4.79
 &rst
  ixpk= 0, nxpk= 0, iat=2050,2062, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,  &end
#
#   89 SER   HA     96 ALA  HA       3.94
 &rst
  ixpk= 0, nxpk= 0, iat=2050,2169, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44,  &end
#
#   89 SER   HA     96 ALA  QB       3.65
 &rst
  ixpk= 0, nxpk= 0, iat=2050,  -1, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,
 igr2=2171,2172,2173,
 &end
#
#   89 SER   HA     99 ARG  QD       5.50
 &rst
  ixpk= 0, nxpk= 0, iat=2050,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=2219,2220,
 &end
#
#   89 SER   QB     90 GLY  H        3.57
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2059, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51,
 igr1=2052,2053,
 &end
#
#   89 SER   QB     90 GLY  HA2      4.56
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2061, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
 igr1=2052,2053,
 &end
#
#   90 GLY   H      95 LEU  HB3      5.30
 &rst
  ixpk= 0, nxpk= 0, iat=2059,2153, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,  &end
#
#   90 GLY   H      96 ALA  QB       3.97
 &rst
  ixpk= 0, nxpk= 0, iat=2059,  -1, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,
 igr2=2171,2172,2173,
 &end
#
#   90 GLY   HA2    95 LEU  HB3      4.43
 &rst
  ixpk= 0, nxpk= 0, iat=2061,2153, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93,  &end
#
#   90 GLY   HA2    95 LEU  HG       4.60
 &rst
  ixpk= 0, nxpk= 0, iat=2061,2155, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,  &end
#
#   90 GLY   HA2    96 ALA  H        5.03
 &rst
  ixpk= 0, nxpk= 0, iat=2061,2167, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,  &end
#
#   90 GLY   HA2    96 ALA  HA       4.45
 &rst
  ixpk= 0, nxpk= 0, iat=2061,2169, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95,  &end
#
#   90 GLY   HA3    92 ASN  H        4.52
 &rst
  ixpk= 0, nxpk= 0, iat=2062,2090, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02,  &end
#
#   90 GLY   HA3    95 LEU  HB2      4.75
 &rst
  ixpk= 0, nxpk= 0, iat=2062,2152, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25,  &end
#
#   90 GLY   HA3    95 LEU  HB3      4.75
 &rst
  ixpk= 0, nxpk= 0, iat=2062,2153, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25,  &end
#
#   90 GLY   HA3    95 LEU  HG       4.71
 &rst
  ixpk= 0, nxpk= 0, iat=2062,2155, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,  &end
#
#   90 GLY   HA3    95 LEU  QD1      4.17
 &rst
  ixpk= 0, nxpk= 0, iat=2062,  -1, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51,
 igr2=2157,2158,2159,
 &end
#
#   90 GLY   HA3    95 LEU  QD2      4.75
 &rst
  ixpk= 0, nxpk= 0, iat=2062,  -1, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,
 igr2=2161,2162,2163,
 &end
#
#   90 GLY   HA3    96 ALA  HA       4.00
 &rst
  ixpk= 0, nxpk= 0, iat=2062,2169, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   95 LEU   H      95 LEU  HB3      3.88
 &rst
  ixpk= 0, nxpk= 0, iat=2148,2153, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38,  &end
#
#   95 LEU   H      95 LEU  QD2      4.10
 &rst
  ixpk= 0, nxpk= 0, iat=2148,  -1, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,
 igr2=2161,2162,2163,
 &end
#
#   95 LEU   H      96 ALA  H        3.77
 &rst
  ixpk= 0, nxpk= 0, iat=2148,2167, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,  &end
#
#   95 LEU   HA     95 LEU  HG       4.07
 &rst
  ixpk= 0, nxpk= 0, iat=2150,2155, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57,  &end
#
#   95 LEU   HA     95 LEU  QD1      3.33
 &rst
  ixpk= 0, nxpk= 0, iat=2150,  -1, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
 igr2=2157,2158,2159,
 &end
#
#   95 LEU   HA     95 LEU  QD2      3.44
 &rst
  ixpk= 0, nxpk= 0, iat=2150,  -1, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63,
 igr2=2161,2162,2163,
 &end
#
#   95 LEU   HA     98 ALA  H        4.22
 &rst
  ixpk= 0, nxpk= 0, iat=2150,2199, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72,  &end
#
#   95 LEU   HA     98 ALA  QB       3.57
 &rst
  ixpk= 0, nxpk= 0, iat=2150,  -1, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79,
 igr2=2203,2204,2205,
 &end
#
#   95 LEU   HB3    95 LEU  QD1      3.56
 &rst
  ixpk= 0, nxpk= 0, iat=2153,  -1, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78,
 igr2=2157,2158,2159,
 &end
#
#   95 LEU   HB3    95 LEU  QD2      4.08
 &rst
  ixpk= 0, nxpk= 0, iat=2153,  -1, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,
 igr2=2161,2162,2163,
 &end
#
#   95 LEU   HB3    96 ALA  H        3.74
 &rst
  ixpk= 0, nxpk= 0, iat=2153,2167, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24,  &end
#
#   95 LEU   HG     96 ALA  H        4.96
 &rst
  ixpk= 0, nxpk= 0, iat=2155,2167, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,  &end
#
#   95 LEU   QD1    96 ALA  H        4.75
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2167, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,
 igr1=2157,2158,2159,
 &end
#
#   95 LEU   QD1    96 ALA  HA       5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2169, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=2157,2158,2159,
 &end
#
#   95 LEU   QD1    99 ARG  QD       4.02
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,
 igr1=2157,2158,2159,
 igr2=2219,2220,
 &end
#
#   95 LEU   QD2    98 ALA  H        5.44
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2199, r1= 1.30, r2= 1.80, r3= 6.53, r4= 7.03,
 igr1=2161,2162,2163,
 &end
#
#   96 ALA   H      96 ALA  QB       3.51
 &rst
  ixpk= 0, nxpk= 0, iat=2167,  -1, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72,
 igr2=2171,2172,2173,
 &end
#
#   96 ALA   H      97 LYS  H        3.41
 &rst
  ixpk= 0, nxpk= 0, iat=2167,2177, r1= 1.30, r2= 1.80, r3= 3.41, r4= 3.91,  &end
#
#   96 ALA   HA     99 ARG  H        4.52
 &rst
  ixpk= 0, nxpk= 0, iat=2169,2209, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02,  &end
#
#   96 ALA   HA     99 ARG  HB2      3.80
 &rst
  ixpk= 0, nxpk= 0, iat=2169,2213, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30,  &end
#
#   96 ALA   HA     99 ARG  QD       4.55
 &rst
  ixpk= 0, nxpk= 0, iat=2169,  -1, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61,
 igr2=2219,2220,
 &end
#
#   96 ALA   QB     97 LYS  H        3.77
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2177, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
 igr1=2171,2172,2173,
 &end
#
#   98 ALA   H      98 ALA  QB       3.33
 &rst
  ixpk= 0, nxpk= 0, iat=2199,  -1, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
 igr2=2203,2204,2205,
 &end
#
#   98 ALA   H      99 ARG  H        4.14
 &rst
  ixpk= 0, nxpk= 0, iat=2199,2209, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64,  &end
#
#   98 ALA   H      99 ARG  HB2      4.83
 &rst
  ixpk= 0, nxpk= 0, iat=2199,2213, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,  &end
#
#   98 ALA   H     100 ALA  H        4.89
 &rst
  ixpk= 0, nxpk= 0, iat=2199,2233, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39,  &end
#
#   98 ALA   QB     99 ARG  H        3.80
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2209, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06,
 igr1=2203,2204,2205,
 &end
#
#   99 ARG   H      99 ARG  HB2      3.31
 &rst
  ixpk= 0, nxpk= 0, iat=2209,2213, r1= 1.30, r2= 1.80, r3= 3.31, r4= 3.81,  &end
#
#   99 ARG   H      99 ARG  QD       4.55
 &rst
  ixpk= 0, nxpk= 0, iat=2209,  -1, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61,
 igr2=2219,2220,
 &end
#
#   99 ARG   HA     99 ARG  QD       3.86
 &rst
  ixpk= 0, nxpk= 0, iat=2211,  -1, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,
 igr2=2219,2220,
 &end
#
#   99 ARG   HA     99 ARG  QG       3.75
 &rst
  ixpk= 0, nxpk= 0, iat=2211,  -1, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71,
 igr2=2216,2217,
 &end
#
#   99 ARG   HA    102 GLN  H        3.86
 &rst
  ixpk= 0, nxpk= 0, iat=2211,2253, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36,  &end
#
#   99 ARG   HA    102 GLN  HB2      4.33
 &rst
  ixpk= 0, nxpk= 0, iat=2211,2257, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,  &end
#
#   99 ARG   HA    102 GLN  HB3      3.65
 &rst
  ixpk= 0, nxpk= 0, iat=2211,2258, r1= 1.30, r2= 1.80, r3= 3.65, r4= 4.15,  &end
#
#   99 ARG   HA    102 GLN  QB       4.01
 &rst
  ixpk= 0, nxpk= 0, iat=2211,  -1, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,
 igr2=2257,2258,
 &end
#
#   99 ARG   HB2    99 ARG  QD       3.60
 &rst
  ixpk= 0, nxpk= 0, iat=2213,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr2=2219,2220,
 &end
#
#   99 ARG   HB3    99 ARG  QD       3.64
 &rst
  ixpk= 0, nxpk= 0, iat=2214,  -1, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59,
 igr2=2219,2220,
 &end
#
#   99 ARG   HB3    99 ARG  QG       2.40
 &rst
  ixpk= 0, nxpk= 0, iat=2214,  -1, r1= 1.30, r2= 1.80, r3= 2.69, r4= 3.19,
 igr2=2216,2217,
 &end
#
#   99 ARG   HB3   100 ALA  H        3.75
 &rst
  ixpk= 0, nxpk= 0, iat=2214,2233, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25,  &end
#
#   99 ARG   QG     99 ARG  QD       2.90
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.65, r4= 4.15,
 igr1=2216,2217,
 igr2=2219,2220,
 &end
#
#  100 ALA   H     100 ALA  QB       3.41
 &rst
  ixpk= 0, nxpk= 0, iat=2233,  -1, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,
 igr2=2237,2238,2239,
 &end
#
#  100 ALA   H     101 ALA  H        3.73
 &rst
  ixpk= 0, nxpk= 0, iat=2233,2243, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23,  &end
#
#  100 ALA   H     103 SER  H        4.71
 &rst
  ixpk= 0, nxpk= 0, iat=2233,2270, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,  &end
#
#  100 ALA   HA    103 SER  QB       3.61
 &rst
  ixpk= 0, nxpk= 0, iat=2235,  -1, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55,
 igr2=2274,2275,
 &end
#
#  100 ALA   QB    104 ALA  QB       4.44
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.40, r4= 6.90,
 igr1=2237,2238,2239,
 igr2=2285,2286,2287,
 &end
#
#  101 ALA   H     102 GLN  H        3.96
 &rst
  ixpk= 0, nxpk= 0, iat=2243,2253, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,  &end
#
#  101 ALA   H     104 ALA  H        5.11
 &rst
  ixpk= 0, nxpk= 0, iat=2243,2281, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61,  &end
#
#  101 ALA   H     104 ALA  QB       5.37
 &rst
  ixpk= 0, nxpk= 0, iat=2243,  -1, r1= 1.30, r2= 1.80, r3= 6.45, r4= 6.95,
 igr2=2285,2286,2287,
 &end
#
#  101 ALA   HA    104 ALA  H        4.12
 &rst
  ixpk= 0, nxpk= 0, iat=2245,2281, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62,  &end
#
#  101 ALA   HA    104 ALA  QB       3.28
 &rst
  ixpk= 0, nxpk= 0, iat=2245,  -1, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44,
 igr2=2285,2286,2287,
 &end
#
#  101 ALA   QB    102 GLN  H        3.82
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2253, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09,
 igr1=2247,2248,2249,
 &end
#
#  101 ALA   QB    102 GLN  HA       5.04
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2255, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
 igr1=2247,2248,2249,
 &end
#
#  102 GLN   H     102 GLN  HG3      4.69
 &rst
  ixpk= 0, nxpk= 0, iat=2253,2261, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19,  &end
#
#  102 GLN   H     103 SER  H        3.85
 &rst
  ixpk= 0, nxpk= 0, iat=2253,2270, r1= 1.30, r2= 1.80, r3= 3.85, r4= 4.35,  &end
#
#  102 GLN   HA    102 GLN  HG2      3.78
 &rst
  ixpk= 0, nxpk= 0, iat=2255,2260, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,  &end
#
#  102 GLN   HA    102 GLN  HG3      4.06
 &rst
  ixpk= 0, nxpk= 0, iat=2255,2261, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56,  &end
#
#  102 GLN   HA    105 LEU  H        4.55
 &rst
  ixpk= 0, nxpk= 0, iat=2255,2291, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05,  &end
#
#  102 GLN   HA    105 LEU  QD2      4.67
 &rst
  ixpk= 0, nxpk= 0, iat=2255,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=2304,2305,2306,
 &end
#
#  102 GLN   HA    113 LEU  QD1      4.61
 &rst
  ixpk= 0, nxpk= 0, iat=2255,  -1, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,
 igr2=2429,2430,2431,
 &end
#
#  102 GLN   HB3   103 SER  H        4.29
 &rst
  ixpk= 0, nxpk= 0, iat=2258,2270, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79,  &end
#
#  102 GLN   HNE1  113 LEU  QB       4.98
 &rst
  ixpk= 0, nxpk= 0, iat=2265,  -1, r1= 1.30, r2= 1.80, r3= 5.59, r4= 6.09,
 igr2=2424,2425,
 &end
#
#  102 GLN   HNE1  113 LEU  QD2      5.50
 &rst
  ixpk= 0, nxpk= 0, iat=2265,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=2433,2434,2435,
 &end
#
#  102 GLN   HNE2  106 ALA  QB       4.92
 &rst
  ixpk= 0, nxpk= 0, iat=2266,  -1, r1= 1.30, r2= 1.80, r3= 5.91, r4= 6.41,
 igr2=2314,2315,2316,
 &end
#
#  102 GLN   HNE2  113 LEU  QB       4.58
 &rst
  ixpk= 0, nxpk= 0, iat=2266,  -1, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
 igr2=2424,2425,
 &end
#
#  102 GLN   HNE2  113 LEU  QD2      5.50
 &rst
  ixpk= 0, nxpk= 0, iat=2266,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=2433,2434,2435,
 &end
#
#  102 GLN   HG2   102 GLN  HNE2     4.06
 &rst
  ixpk= 0, nxpk= 0, iat=2260,2266, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56,  &end
#
#  102 GLN   HG2   113 LEU  HG       4.89
 &rst
  ixpk= 0, nxpk= 0, iat=2260,2427, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39,  &end
#
#  102 GLN   HG2   113 LEU  QD2      4.23
 &rst
  ixpk= 0, nxpk= 0, iat=2260,  -1, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,
 igr2=2433,2434,2435,
 &end
#
#  102 GLN   HG3   113 LEU  HG       5.50
 &rst
  ixpk= 0, nxpk= 0, iat=2261,2427, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  102 GLN   HG3   113 LEU  QD2      4.16
 &rst
  ixpk= 0, nxpk= 0, iat=2261,  -1, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
 igr2=2433,2434,2435,
 &end
#
#  102 GLN   QB    113 LEU  QD2      5.10
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.87, r4= 7.37,
 igr1=2257,2258,
 igr2=2433,2434,2435,
 &end
#
#  103 SER   H     103 SER  QB       3.13
 &rst
  ixpk= 0, nxpk= 0, iat=2270,  -1, r1= 1.30, r2= 1.80, r3= 3.51, r4= 4.01,
 igr2=2274,2275,
 &end
#
#  103 SER   H     104 ALA  H        3.83
 &rst
  ixpk= 0, nxpk= 0, iat=2270,2281, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33,  &end
#
#  103 SER   H     104 ALA  QB       4.51
 &rst
  ixpk= 0, nxpk= 0, iat=2270,  -1, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,
 igr2=2285,2286,2287,
 &end
#
#  103 SER   H     105 LEU  H        4.88
 &rst
  ixpk= 0, nxpk= 0, iat=2270,2291, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,  &end
#
#  103 SER   H     106 ALA  QB       5.30
 &rst
  ixpk= 0, nxpk= 0, iat=2270,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr2=2314,2315,2316,
 &end
#
#  103 SER   HA    106 ALA  H        4.85
 &rst
  ixpk= 0, nxpk= 0, iat=2272,2310, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,  &end
#
#  103 SER   HA    106 ALA  QB       3.71
 &rst
  ixpk= 0, nxpk= 0, iat=2272,  -1, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96,
 igr2=2314,2315,2316,
 &end
#
#  103 SER   QB    104 ALA  H        3.52
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2281, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45,
 igr1=2274,2275,
 &end
#
#  103 SER   QB    104 ALA  HA       4.45
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2283, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49,
 igr1=2274,2275,
 &end
#
#  103 SER   QB    104 ALA  QB       4.02
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,
 igr1=2274,2275,
 igr2=2285,2286,2287,
 &end
#
#  103 SER   QB    106 ALA  QB       5.30
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
 igr1=2274,2275,
 igr2=2314,2315,2316,
 &end
#
#  104 ALA   H     104 ALA  QB       3.36
 &rst
  ixpk= 0, nxpk= 0, iat=2281,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr2=2285,2286,2287,
 &end
#
#  104 ALA   H     105 LEU  H        3.84
 &rst
  ixpk= 0, nxpk= 0, iat=2281,2291, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34,  &end
#
#  104 ALA   HA    107 THR  H        4.46
 &rst
  ixpk= 0, nxpk= 0, iat=2283,2320, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96,  &end
#
#  104 ALA   HA    107 THR  HB       3.87
 &rst
  ixpk= 0, nxpk= 0, iat=2283,2324, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37,  &end
#
#  104 ALA   HA    108 VAL  H        4.46
 &rst
  ixpk= 0, nxpk= 0, iat=2283,2334, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96,  &end
#
#  104 ALA   HA    108 VAL  QG1      5.50
 &rst
  ixpk= 0, nxpk= 0, iat=2283,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=2340,2341,2342,
 &end
#
#  104 ALA   HA    108 VAL  QG2      3.49
 &rst
  ixpk= 0, nxpk= 0, iat=2283,  -1, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69,
 igr2=2344,2345,2346,
 &end
#
#  104 ALA   QB    105 LEU  H        3.55
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2291, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76,
 igr1=2285,2286,2287,
 &end
#
#  104 ALA   QB    105 LEU  HA       5.25
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2293, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1=2285,2286,2287,
 &end
#
#  105 LEU   H     105 LEU  HB2      3.80
 &rst
  ixpk= 0, nxpk= 0, iat=2291,2295, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30,  &end
#
#  105 LEU   H     105 LEU  HB3      3.88
 &rst
  ixpk= 0, nxpk= 0, iat=2291,2296, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38,  &end
#
#  105 LEU   H     105 LEU  QD1      4.36
 &rst
  ixpk= 0, nxpk= 0, iat=2291,  -1, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,
 igr2=2300,2301,2302,
 &end
#
#  105 LEU   H     106 ALA  H        3.83
 &rst
  ixpk= 0, nxpk= 0, iat=2291,2310, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33,  &end
#
#  105 LEU   HA    105 LEU  QD1      3.79
 &rst
  ixpk= 0, nxpk= 0, iat=2293,  -1, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05,
 igr2=2300,2301,2302,
 &end
#
#  105 LEU   HA    105 LEU  QD2      4.41
 &rst
  ixpk= 0, nxpk= 0, iat=2293,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr2=2304,2305,2306,
 &end
#
#  105 LEU   HA    109 PHE  H        4.29
 &rst
  ixpk= 0, nxpk= 0, iat=2293,2350, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79,  &end
#
#  105 LEU   HA    109 PHE  HB3      5.20
 &rst
  ixpk= 0, nxpk= 0, iat=2293,2355, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,  &end
#
#  105 LEU   HA    109 PHE  HD       3.37
 &rst
  ixpk= 0, nxpk= 0, iat=2293,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr2=2358,2366,
 &end
#
#  105 LEU   HA    109 PHE  HE       4.28
 &rst
  ixpk= 0, nxpk= 0, iat=2293,  -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr2=2360,2364,
 &end
#
#  105 LEU   HB2   105 LEU  QD1      3.68
 &rst
  ixpk= 0, nxpk= 0, iat=2295,  -1, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92,
 igr2=2300,2301,2302,
 &end
#
#  105 LEU   HB2   105 LEU  QD2      3.65
 &rst
  ixpk= 0, nxpk= 0, iat=2295,  -1, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,
 igr2=2304,2305,2306,
 &end
#
#  105 LEU   HB2   109 PHE  HE       4.77
 &rst
  ixpk= 0, nxpk= 0, iat=2295,  -1, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85,
 igr2=2360,2364,
 &end
#
#  105 LEU   HB3   105 LEU  QD1      4.18
 &rst
  ixpk= 0, nxpk= 0, iat=2296,  -1, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52,
 igr2=2300,2301,2302,
 &end
#
#  105 LEU   HB3   105 LEU  QD2      3.80
 &rst
  ixpk= 0, nxpk= 0, iat=2296,  -1, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06,
 igr2=2304,2305,2306,
 &end
#
#  105 LEU   HB3   106 ALA  H        3.97
 &rst
  ixpk= 0, nxpk= 0, iat=2296,2310, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47,  &end
#
#  105 LEU   HG    106 ALA  H        5.10
 &rst
  ixpk= 0, nxpk= 0, iat=2298,2310, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,  &end
#
#  105 LEU   HG    109 PHE  HD       5.49
 &rst
  ixpk= 0, nxpk= 0, iat=2298,  -1, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66,
 igr2=2358,2366,
 &end
#
#  105 LEU   HG    113 LEU  QD1      5.43
 &rst
  ixpk= 0, nxpk= 0, iat=2298,  -1, r1= 1.30, r2= 1.80, r3= 6.52, r4= 7.02,
 igr2=2429,2430,2431,
 &end
#
#  105 LEU   QD1   106 ALA  H        5.16
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2310, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70,
 igr1=2300,2301,2302,
 &end
#
#  105 LEU   QD1   109 PHE  HB2      4.90
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2354, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
 igr1=2300,2301,2302,
 &end
#
#  105 LEU   QD1   109 PHE  HB3      5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2355, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=2300,2301,2302,
 &end
#
#  105 LEU   QD1   109 PHE  HD       4.05
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96,
 igr1=2300,2301,2302,
 igr2=2358,2366,
 &end
#
#  105 LEU   QD1   109 PHE  HE       4.32
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.82, r4= 6.32,
 igr1=2300,2301,2302,
 igr2=2360,2364,
 &end
#
#  105 LEU   QD2   106 ALA  H        4.44
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2310, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83,
 igr1=2304,2305,2306,
 &end
#
#  105 LEU   QD2   106 ALA  HA       5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2312, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=2304,2305,2306,
 &end
#
#  105 LEU   QD2   109 PHE  HB2      5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2354, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=2304,2305,2306,
 &end
#
#  105 LEU   QD2   109 PHE  HB3      5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2355, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=2304,2305,2306,
 &end
#
#  105 LEU   QD2   109 PHE  HD       4.32
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.82, r4= 6.32,
 igr1=2304,2305,2306,
 igr2=2358,2366,
 &end
#
#  105 LEU   QD2   111 LEU  H        5.45
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2384, r1= 1.30, r2= 1.80, r3= 6.55, r4= 7.05,
 igr1=2304,2305,2306,
 &end
#
#  105 LEU   QD2   113 LEU  QD1      3.79
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
 igr1=2304,2305,2306,
 igr2=2429,2430,2431,
 &end
#
#  106 ALA   H     106 ALA  QB       3.33
 &rst
  ixpk= 0, nxpk= 0, iat=2310,  -1, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
 igr2=2314,2315,2316,
 &end
#
#  106 ALA   H     107 THR  H        3.67
 &rst
  ixpk= 0, nxpk= 0, iat=2310,2320, r1= 1.30, r2= 1.80, r3= 3.67, r4= 4.17,  &end
#
#  106 ALA   H     113 LEU  QD1      5.43
 &rst
  ixpk= 0, nxpk= 0, iat=2310,  -1, r1= 1.30, r2= 1.80, r3= 6.52, r4= 7.02,
 igr2=2429,2430,2431,
 &end
#
#  106 ALA   HA    109 PHE  HD       5.49
 &rst
  ixpk= 0, nxpk= 0, iat=2312,  -1, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66,
 igr2=2358,2366,
 &end
#
#  106 ALA   HA    111 LEU  H        3.41
 &rst
  ixpk= 0, nxpk= 0, iat=2312,2384, r1= 1.30, r2= 1.80, r3= 3.41, r4= 3.91,  &end
#
#  106 ALA   HA    111 LEU  HA       4.68
 &rst
  ixpk= 0, nxpk= 0, iat=2312,2386, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,  &end
#
#  106 ALA   HA    111 LEU  QQD      5.50
 &rst
  ixpk= 0, nxpk= 0, iat=2312,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2=2393,2394,2395,2397,2398,2399,
 &end
#
#  106 ALA   QB    107 THR  H        3.46
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2320, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66,
 igr1=2314,2315,2316,
 &end
#
#  107 THR   H     108 VAL  H        3.77
 &rst
  ixpk= 0, nxpk= 0, iat=2320,2334, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,  &end
#
#  107 THR   H     108 VAL  QG2      4.43
 &rst
  ixpk= 0, nxpk= 0, iat=2320,  -1, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82,
 igr2=2344,2345,2346,
 &end
#
#  107 THR   H     109 PHE  H        4.87
 &rst
  ixpk= 0, nxpk= 0, iat=2320,2350, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37,  &end
#
#  107 THR   HA    107 THR  QG2      3.02
 &rst
  ixpk= 0, nxpk= 0, iat=2322,  -1, r1= 1.30, r2= 1.80, r3= 3.63, r4= 4.13,
 igr2=2326,2327,2328,
 &end
#
#  107 THR   HA    110 ASN  H        4.68
 &rst
  ixpk= 0, nxpk= 0, iat=2322,2370, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,  &end
#
#  107 THR   HA    110 ASN  HA       4.48
 &rst
  ixpk= 0, nxpk= 0, iat=2322,2372, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98,  &end
#
#  107 THR   HA    111 LEU  H        5.02
 &rst
  ixpk= 0, nxpk= 0, iat=2322,2384, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52,  &end
#
#  107 THR   HB    108 VAL  HA       5.25
 &rst
  ixpk= 0, nxpk= 0, iat=2324,2336, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75,  &end
#
#  107 THR   HB    108 VAL  QG1      5.47
 &rst
  ixpk= 0, nxpk= 0, iat=2324,  -1, r1= 1.30, r2= 1.80, r3= 6.57, r4= 7.07,
 igr2=2340,2341,2342,
 &end
#
#  107 THR   HB    108 VAL  QG2      4.01
 &rst
  ixpk= 0, nxpk= 0, iat=2324,  -1, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32,
 igr2=2344,2345,2346,
 &end
#
#  107 THR   QG2   108 VAL  HA       4.12
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2336, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr1=2326,2327,2328,
 &end
#
#  107 THR   QG2   108 VAL  QG1      4.71
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.79, r4= 7.29,
 igr1=2326,2327,2328,
 igr2=2340,2341,2342,
 &end
#
#  107 THR   QG2   108 VAL  QG2      3.68
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,
 igr1=2326,2327,2328,
 igr2=2344,2345,2346,
 &end
#
#  107 THR   QG2   110 ASN  H        4.55
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2370, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96,
 igr1=2326,2327,2328,
 &end
#
#  108 VAL   H     108 VAL  HB       3.28
 &rst
  ixpk= 0, nxpk= 0, iat=2334,2338, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78,  &end
#
#  108 VAL   H     108 VAL  QG1      4.27
 &rst
  ixpk= 0, nxpk= 0, iat=2334,  -1, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63,
 igr2=2340,2341,2342,
 &end
#
#  108 VAL   H     108 VAL  QG2      3.65
 &rst
  ixpk= 0, nxpk= 0, iat=2334,  -1, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,
 igr2=2344,2345,2346,
 &end
#
#  108 VAL   H     109 PHE  H        3.81
 &rst
  ixpk= 0, nxpk= 0, iat=2334,2350, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31,  &end
#
#  108 VAL   H     109 PHE  HA       5.50
 &rst
  ixpk= 0, nxpk= 0, iat=2334,2352, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  108 VAL   H     109 PHE  HD       4.17
 &rst
  ixpk= 0, nxpk= 0, iat=2334,  -1, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,
 igr2=2358,2366,
 &end
#
#  108 VAL   H     110 ASN  H        4.62
 &rst
  ixpk= 0, nxpk= 0, iat=2334,2370, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,  &end
#
#  108 VAL   HA    108 VAL  QG1      3.43
 &rst
  ixpk= 0, nxpk= 0, iat=2336,  -1, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62,
 igr2=2340,2341,2342,
 &end
#
#  108 VAL   HA    108 VAL  QG2      3.42
 &rst
  ixpk= 0, nxpk= 0, iat=2336,  -1, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,
 igr2=2344,2345,2346,
 &end
#
#  108 VAL   HA    109 PHE  HD       4.62
 &rst
  ixpk= 0, nxpk= 0, iat=2336,  -1, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,
 igr2=2358,2366,
 &end
#
#  108 VAL   HB    109 PHE  H        3.82
 &rst
  ixpk= 0, nxpk= 0, iat=2338,2350, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32,  &end
#
#  108 VAL   HB    109 PHE  HD       4.05
 &rst
  ixpk= 0, nxpk= 0, iat=2338,  -1, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05,
 igr2=2358,2366,
 &end
#
#  108 VAL   HB    109 PHE  HE       4.32
 &rst
  ixpk= 0, nxpk= 0, iat=2338,  -1, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
 igr2=2360,2364,
 &end
#
#  108 VAL   QG1   109 PHE  H        4.77
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2350, r1= 1.30, r2= 1.80, r3= 5.73, r4= 6.23,
 igr1=2340,2341,2342,
 &end
#
#  108 VAL   QG1   109 PHE  HA       4.79
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2352, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25,
 igr1=2340,2341,2342,
 &end
#
#  108 VAL   QG1   109 PHE  HD       4.04
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95,
 igr1=2340,2341,2342,
 igr2=2358,2366,
 &end
#
#  108 VAL   QG1   109 PHE  HE       4.14
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08,
 igr1=2340,2341,2342,
 igr2=2360,2364,
 &end
#
#  108 VAL   QG1   110 ASN  H        5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2370, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=2340,2341,2342,
 &end
#
#  108 VAL   QG2   109 PHE  H        4.51
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2350, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,
 igr1=2344,2345,2346,
 &end
#
#  109 PHE   H     109 PHE  HB2      3.99
 &rst
  ixpk= 0, nxpk= 0, iat=2350,2354, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49,  &end
#
#  109 PHE   H     109 PHE  HB3      4.06
 &rst
  ixpk= 0, nxpk= 0, iat=2350,2355, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56,  &end
#
#  109 PHE   H     109 PHE  HE       4.98
 &rst
  ixpk= 0, nxpk= 0, iat=2350,  -1, r1= 1.30, r2= 1.80, r3= 5.59, r4= 6.09,
 igr2=2360,2364,
 &end
#
#  109 PHE   H     110 ASN  H        3.48
 &rst
  ixpk= 0, nxpk= 0, iat=2350,2370, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98,  &end
#
#  109 PHE   H     111 LEU  H        4.69
 &rst
  ixpk= 0, nxpk= 0, iat=2350,2384, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19,  &end
#
#  109 PHE   HA    109 PHE  HD       3.56
 &rst
  ixpk= 0, nxpk= 0, iat=2352,  -1, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
 igr2=2358,2366,
 &end
#
#  109 PHE   HA    109 PHE  HE       4.56
 &rst
  ixpk= 0, nxpk= 0, iat=2352,  -1, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
 igr2=2360,2364,
 &end
#
#  109 PHE   HA    110 ASN  HND1     5.22
 &rst
  ixpk= 0, nxpk= 0, iat=2352,2379, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,  &end
#
#  109 PHE   HA    110 ASN  HND2     5.24
 &rst
  ixpk= 0, nxpk= 0, iat=2352,2380, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,  &end
#
#  109 PHE   HB2   110 ASN  H        4.44
 &rst
  ixpk= 0, nxpk= 0, iat=2354,2370, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,  &end
#
#  109 PHE   HB2   110 ASN  HND2     4.86
 &rst
  ixpk= 0, nxpk= 0, iat=2354,2380, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,  &end
#
#  109 PHE   HB2   111 LEU  H        4.66
 &rst
  ixpk= 0, nxpk= 0, iat=2354,2384, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,  &end
#
#  109 PHE   HB2   111 LEU  HB2      4.80
 &rst
  ixpk= 0, nxpk= 0, iat=2354,2388, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,  &end
#
#  109 PHE   HB2   111 LEU  HB3      5.26
 &rst
  ixpk= 0, nxpk= 0, iat=2354,2389, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76,  &end
#
#  109 PHE   HB2   111 LEU  QQD      3.92
 &rst
  ixpk= 0, nxpk= 0, iat=2354,  -1, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
 igr2=2393,2394,2395,2397,2398,2399,
 &end
#
#  109 PHE   HB3   111 LEU  H        4.42
 &rst
  ixpk= 0, nxpk= 0, iat=2355,2384, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92,  &end
#
#  109 PHE   HB3   111 LEU  HB2      4.99
 &rst
  ixpk= 0, nxpk= 0, iat=2355,2388, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49,  &end
#
#  109 PHE   HB3   111 LEU  HB3      5.40
 &rst
  ixpk= 0, nxpk= 0, iat=2355,2389, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,  &end
#
#  109 PHE   HB3   111 LEU  HG       4.61
 &rst
  ixpk= 0, nxpk= 0, iat=2355,2391, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,  &end
#
#  109 PHE   HB3   111 LEU  QQD      4.35
 &rst
  ixpk= 0, nxpk= 0, iat=2355,  -1, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36,
 igr2=2393,2394,2395,2397,2398,2399,
 &end
#
#  109 PHE   HD    111 LEU  HB2      5.03
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2388, r1= 1.30, r2= 1.80, r3= 5.65, r4= 6.15,
 igr1=2358,2366,
 &end
#
#  109 PHE   HD    111 LEU  QQD      4.25
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.43, r4= 6.93,
 igr1=2358,2366,
 igr2=2393,2394,2395,2397,2398,2399,
 &end
#
#  109 PHE   HE    111 LEU  QQD      5.06
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.66, r4= 8.16,
 igr1=2360,2364,
 igr2=2393,2394,2395,2397,2398,2399,
 &end
#
#  110 ASN   H     110 ASN  HB2      3.89
 &rst
  ixpk= 0, nxpk= 0, iat=2370,2374, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39,  &end
#
#  110 ASN   H     110 ASN  HB3      3.99
 &rst
  ixpk= 0, nxpk= 0, iat=2370,2375, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49,  &end
#
#  110 ASN   H     110 ASN  HND2     5.26
 &rst
  ixpk= 0, nxpk= 0, iat=2370,2380, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76,  &end
#
#  110 ASN   H     111 LEU  H        3.79
 &rst
  ixpk= 0, nxpk= 0, iat=2370,2384, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29,  &end
#
#  110 ASN   HA    110 ASN  HB2      2.99
 &rst
  ixpk= 0, nxpk= 0, iat=2372,2374, r1= 1.30, r2= 1.80, r3= 2.99, r4= 3.49,  &end
#
#  110 ASN   HA    110 ASN  HB3      2.99
 &rst
  ixpk= 0, nxpk= 0, iat=2372,2375, r1= 1.30, r2= 1.80, r3= 2.99, r4= 3.49,  &end
#
#  110 ASN   HB2   111 LEU  H        4.66
 &rst
  ixpk= 0, nxpk= 0, iat=2374,2384, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,  &end
#
#  110 ASN   HB3   110 ASN  HND2     4.06
 &rst
  ixpk= 0, nxpk= 0, iat=2375,2380, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56,  &end
#
#  110 ASN   HB3   111 LEU  HG       4.45
 &rst
  ixpk= 0, nxpk= 0, iat=2375,2391, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95,  &end
#
#  110 ASN   HB3   111 LEU  QQD      4.93
 &rst
  ixpk= 0, nxpk= 0, iat=2375,  -1, r1= 1.30, r2= 1.80, r3= 6.65, r4= 7.15,
 igr2=2393,2394,2395,2397,2398,2399,
 &end
#
#  111 LEU   H     111 LEU  HB2      3.80
 &rst
  ixpk= 0, nxpk= 0, iat=2384,2388, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30,  &end
#
#  111 LEU   H     111 LEU  HG       3.99
 &rst
  ixpk= 0, nxpk= 0, iat=2384,2391, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49,  &end
#
#  111 LEU   H     111 LEU  QQD      4.64
 &rst
  ixpk= 0, nxpk= 0, iat=2384,  -1, r1= 1.30, r2= 1.80, r3= 6.25, r4= 6.75,
 igr2=2393,2394,2395,2397,2398,2399,
 &end
#
#  111 LEU   H     112 HIS  H        4.90
 &rst
  ixpk= 0, nxpk= 0, iat=2384,2403, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,  &end
#
#  111 LEU   HA    111 LEU  HG       3.73
 &rst
  ixpk= 0, nxpk= 0, iat=2386,2391, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23,  &end
#
#  111 LEU   HA    111 LEU  QQD      3.21
 &rst
  ixpk= 0, nxpk= 0, iat=2386,  -1, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,
 igr2=2393,2394,2395,2397,2398,2399,
 &end
#
#  111 LEU   HA    112 HIS  H        3.27
 &rst
  ixpk= 0, nxpk= 0, iat=2386,2403, r1= 1.30, r2= 1.80, r3= 3.27, r4= 3.77,  &end
#
#  111 LEU   HB2   111 LEU  QQD      3.53
 &rst
  ixpk= 0, nxpk= 0, iat=2388,  -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
 igr2=2393,2394,2395,2397,2398,2399,
 &end
#
#  111 LEU   HB2   112 HIS  H        5.20
 &rst
  ixpk= 0, nxpk= 0, iat=2388,2403, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,  &end
#
#  111 LEU   HB3   111 LEU  QQD      3.54
 &rst
  ixpk= 0, nxpk= 0, iat=2389,  -1, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,
 igr2=2393,2394,2395,2397,2398,2399,
 &end
#
#  111 LEU   HG    112 HIS  H        5.29
 &rst
  ixpk= 0, nxpk= 0, iat=2391,2403, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79,  &end
#
#  111 LEU   QQD   112 HIS  H        4.37
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2403, r1= 1.30, r2= 1.80, r3= 5.89, r4= 6.39,
 igr1=2393,2394,2395,2397,2398,2399,
 &end
#
#  112 HIS   H     112 HIS  HB2      3.95
 &rst
  ixpk= 0, nxpk= 0, iat=2403,2407, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45,  &end
#
#  112 HIS   H     112 HIS  HB3      3.99
 &rst
  ixpk= 0, nxpk= 0, iat=2403,2408, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49,  &end
#
#  112 HIS   HA    112 HIS  HB2      2.41
 &rst
  ixpk= 0, nxpk= 0, iat=2405,2407, r1= 1.30, r2= 1.80, r3= 2.41, r4= 2.91,  &end
#
#  112 HIS   HA    112 HIS  HD2      3.31
 &rst
  ixpk= 0, nxpk= 0, iat=2405,2416, r1= 1.30, r2= 1.80, r3= 3.31, r4= 3.81,  &end
#
#  112 HIS   HB2   112 HIS  HE1      5.24
 &rst
  ixpk= 0, nxpk= 0, iat=2407,2413, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,  &end
#
#  112 HIS   HB3   113 LEU  H        4.66
 &rst
  ixpk= 0, nxpk= 0, iat=2408,2420, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,  &end
#
#  113 LEU   H     113 LEU  QB       3.11
 &rst
  ixpk= 0, nxpk= 0, iat=2420,  -1, r1= 1.30, r2= 1.80, r3= 3.49, r4= 3.99,
 igr2=2424,2425,
 &end
#
#  113 LEU   HA    113 LEU  HG       3.55
 &rst
  ixpk= 0, nxpk= 0, iat=2422,2427, r1= 1.30, r2= 1.80, r3= 3.55, r4= 4.05,  &end
#
#  113 LEU   HA    113 LEU  QD2      3.87
 &rst
  ixpk= 0, nxpk= 0, iat=2422,  -1, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,
 igr2=2433,2434,2435,
 &end
#
#  113 LEU   QB    113 LEU  QD1      2.98
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52,
 igr1=2424,2425,
 igr2=2429,2430,2431,
 &end
#
#  113 LEU   QB    113 LEU  QD2      2.94
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
 igr1=2424,2425,
 igr2=2433,2434,2435,
 &end
#
#   59 LEU   HA     81 VAL  HA       3.20
 &rst
  ixpk= 0, nxpk= 0, iat=1597,1936, r1= 1.30, r2= 1.80, r3= 3.20, r4= 3.70,  &end
#
#   60 LYS   H      81 VAL  HA       4.20
 &rst
  ixpk= 0, nxpk= 0, iat=1614,1936, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,  &end
#
#   60 LYS   H      80 VAL  H        4.20
 &rst
  ixpk= 0, nxpk= 0, iat=1614,1918, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,  &end
#
#   61 TYR   HA     80 VAL  H        4.20
 &rst
  ixpk= 0, nxpk= 0, iat=1638,1918, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,  &end
#
#   61 TYR   HA     79 VAL  HA       3.00
 &rst
  ixpk= 0, nxpk= 0, iat=1638,1904, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   62 ASP   H      79 VAL  HA       4.20
 &rst
  ixpk= 0, nxpk= 0, iat=1657,1904, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,  &end
#
#   62 ASP   H      78 SER  H        4.20
 &rst
  ixpk= 0, nxpk= 0, iat=1657,1891, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,  &end
#
#   63 PHE   HA     78 SER  H        4.20
 &rst
  ixpk= 0, nxpk= 0, iat=1671,1891, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,  &end
#
#   63 PHE   HA     77 MET  HA       3.00
 &rst
  ixpk= 0, nxpk= 0, iat=1671,1876, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   64 LEU   H      77 MET  HA       4.20
 &rst
  ixpk= 0, nxpk= 0, iat=1689,1876, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,  &end
#
#   64 LEU   H      76 VAL  H        4.20
 &rst
  ixpk= 0, nxpk= 0, iat=1689,1858, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,  &end
#
#   74 SER   HA     91 ARG  HA       3.20
 &rst
  ixpk= 0, nxpk= 0, iat=1829,2068, r1= 1.30, r2= 1.80, r3= 3.20, r4= 3.70,  &end
#
#   75 PHE   H      91 ARG  HA       4.20
 &rst
  ixpk= 0, nxpk= 0, iat=1838,2068, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,  &end
#
#   75 PHE   H      90 GLY  H        4.20
 &rst
  ixpk= 0, nxpk= 0, iat=1838,2059, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,  &end
#
#   76 VAL   HA     90 GLY  H        4.20
 &rst
  ixpk= 0, nxpk= 0, iat=1860,2059, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,  &end
#
#   76 VAL   HA     89 SER  HA       3.00
 &rst
  ixpk= 0, nxpk= 0, iat=1860,2050, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   77 MET   H      89 SER  HA       4.20
 &rst
  ixpk= 0, nxpk= 0, iat=1874,2050, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,  &end
#
#   77 MET   H      88 GLY  H        4.20
 &rst
  ixpk= 0, nxpk= 0, iat=1874,2041, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,  &end
#
#   78 SER   HA     88 GLY  H        4.20
 &rst
  ixpk= 0, nxpk= 0, iat=1893,2041, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,  &end
#
#   78 SER   HA     87 GLU  HA       3.00
 &rst
  ixpk= 0, nxpk= 0, iat=1893,2028, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   79 VAL   H      87 GLU  HA       4.20
 &rst
  ixpk= 0, nxpk= 0, iat=1902,2028, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,  &end
#
#   79 VAL   H      86 PHE  H        4.20
 &rst
  ixpk= 0, nxpk= 0, iat=1902,2006, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,  &end
#
#   80 VAL   HA     86 PHE  H        4.20
 &rst
  ixpk= 0, nxpk= 0, iat=1920,2006, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,  &end
#
#   80 VAL   HA     85 PHE  HA       3.00
 &rst
  ixpk= 0, nxpk= 0, iat=1920,1988, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   81 VAL   H      85 PHE  HA       4.20
 &rst
  ixpk= 0, nxpk= 0, iat=1934,1988, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,  &end
#
#   81 VAL   H      84 GLN  H        4.20
 &rst
  ixpk= 0, nxpk= 0, iat=1934,1969, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,  &end
#
#   48 PRO   HD2    98 ALA  QB       4.09
 &rst
  ixpk= 0, nxpk= 0, iat=1418,  -1, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,
 igr2=2203,2204,2205,
 &end
#
#   48 PRO   HG3    98 ALA  HA       3.55
 &rst
  ixpk= 0, nxpk= 0, iat=1422,2201, r1= 1.30, r2= 1.80, r3= 3.55, r4= 4.05,  &end
#
#   48 PRO   HG3    98 ALA  QB       4.22
 &rst
  ixpk= 0, nxpk= 0, iat=1422,  -1, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,
 igr2=2203,2204,2205,
 &end
#
#   49 VAL   HA    101 ALA  QB       3.88
 &rst
  ixpk= 0, nxpk= 0, iat=1433,  -1, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,
 igr2=2247,2248,2249,
 &end
#
#   49 VAL   H      98 ALA  QB       4.39
 &rst
  ixpk= 0, nxpk= 0, iat=1431,  -1, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77,
 igr2=2203,2204,2205,
 &end
#
#   49 VAL   QG2    98 ALA  H        4.34
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2199, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71,
 igr1=1441,1442,1443,
 &end
#
#   49 VAL   QG2    98 ALA  QB       4.20
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.06, r4= 6.56,
 igr1=1441,1442,1443,
 igr2=2203,2204,2205,
 &end
#
#   49 VAL   QG2    99 ARG  H        5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2209, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=1441,1442,1443,
 &end
#
#   49 VAL   QG2   101 ALA  H        5.53
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2243, r1= 1.30, r2= 1.80, r3= 6.64, r4= 7.14,
 igr1=1441,1442,1443,
 &end
#
#   49 VAL   QG2   101 ALA  QB       3.58
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
 igr1=1441,1442,1443,
 igr2=2247,2248,2249,
 &end
#
#    1 GUA   H8      1 GUA  H1'       4.5
 &rst
  ixpk= 0, nxpk= 0, iat=  13,  10, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    1 GUA   H8      1 GUA  H2'       4.5
 &rst
  ixpk= 0, nxpk= 0, iat=  13,  29, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    1 GUA   H8      1 GUA  H3'       3.5
 &rst
  ixpk= 0, nxpk= 0, iat=  13,  27, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    1 GUA   H8      1 GUA  H4'       5.0
 &rst
  ixpk= 0, nxpk= 0, iat=  13,   7, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    1 GUA   H8      1 GUA  Q5'       5.0
 &rst
  ixpk= 0, nxpk= 0, iat=  13,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=   4,   5,
 &end
#
#    1 GUA   H1'     1 GUA  H2'       3.0
 &rst
  ixpk= 0, nxpk= 0, iat=  10,  29, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#    1 GUA   H1'     1 GUA  H3'       4.0
 &rst
  ixpk= 0, nxpk= 0, iat=  10,  27, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#    1 GUA   H1'     1 GUA  H4'       4.0
 &rst
  ixpk= 0, nxpk= 0, iat=  10,   7, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#    1 GUA   H1'     1 GUA  Q5'       6.0
 &rst
  ixpk= 0, nxpk= 0, iat=  10,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2=   4,   5,
 &end
#
#    1 GUA   H1'     2 GUA  H1'       5.0
 &rst
  ixpk= 0, nxpk= 0, iat=  10,  44, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    2 GUA   H8      2 GUA  H1'       4.0
 &rst
  ixpk= 0, nxpk= 0, iat=  47,  44, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#    2 GUA   H8      2 GUA  H2'       4.0
 &rst
  ixpk= 0, nxpk= 0, iat=  47,  63, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#    2 GUA   H8      2 GUA  H3'       3.5
 &rst
  ixpk= 0, nxpk= 0, iat=  47,  61, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    2 GUA   H8      2 GUA  H4'       5.0
 &rst
  ixpk= 0, nxpk= 0, iat=  47,  41, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    2 GUA   H8      2 GUA  Q5'       5.0
 &rst
  ixpk= 0, nxpk= 0, iat=  47,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=  38,  39,
 &end
#
#    2 GUA   H1'     2 GUA  H2'       3.0
 &rst
  ixpk= 0, nxpk= 0, iat=  44,  63, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#    2 GUA   H1'     2 GUA  H3'       4.0
 &rst
  ixpk= 0, nxpk= 0, iat=  44,  61, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#    2 GUA   H1'     2 GUA  H4'       4.0
 &rst
  ixpk= 0, nxpk= 0, iat=  44,  41, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#    2 GUA   H1'     2 GUA  Q5'       6.0
 &rst
  ixpk= 0, nxpk= 0, iat=  44,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2=  38,  39,
 &end
#
#    2 GUA   H8      1 GUA  H1'       4.5
 &rst
  ixpk= 0, nxpk= 0, iat=  47,  10, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    2 GUA   H8      1 GUA  H2'       2.4
 &rst
  ixpk= 0, nxpk= 0, iat=  47,  29, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90,  &end
#
#    2 GUA   H8      1 GUA  H3'       3.5
 &rst
  ixpk= 0, nxpk= 0, iat=  47,  27, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    2 GUA   H8      1 GUA  H4'       6.0
 &rst
  ixpk= 0, nxpk= 0, iat=  47,   7, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#    2 GUA   H1'     1 GUA  H2'       5.0
 &rst
  ixpk= 0, nxpk= 0, iat=  44,  29, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    2 GUA   H1'     1 GUA  H3'       6.0
 &rst
  ixpk= 0, nxpk= 0, iat=  44,  27, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#    2 GUA   H8      3 RU   H5        6.0
 &rst
  ixpk= 0, nxpk= 0, iat=  47,  83, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#    3 RU    H6      3 RU   H1'       4.5
 &rst
  ixpk= 0, nxpk= 0, iat=  81,  78, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    3 RU    H6      3 RU   H2'       4.5
 &rst
  ixpk= 0, nxpk= 0, iat=  81,  93, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    3 RU    H6      3 RU   H3'       3.5
 &rst
  ixpk= 0, nxpk= 0, iat=  81,  91, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    3 RU    H6      3 RU   H4'       5.0
 &rst
  ixpk= 0, nxpk= 0, iat=  81,  75, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    3 RU    H6      3 RU   Q5'       5.0
 &rst
  ixpk= 0, nxpk= 0, iat=  81,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=  72,  73,
 &end
#
#    3 RU    H5      3 RU   H3'       5.0
 &rst
  ixpk= 0, nxpk= 0, iat=  83,  91, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    3 RU    H1'     3 RU   H2'       3.0
 &rst
  ixpk= 0, nxpk= 0, iat=  78,  93, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#    3 RU    H1'     3 RU   H3'       4.0
 &rst
  ixpk= 0, nxpk= 0, iat=  78,  91, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#    3 RU    H1'     3 RU   H4'       4.0
 &rst
  ixpk= 0, nxpk= 0, iat=  78,  75, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#    3 RU    H1'     3 RU   Q5'       6.0
 &rst
  ixpk= 0, nxpk= 0, iat=  78,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2=  72,  73,
 &end
#
#    3 RU    H6      2 GUA  H1'       4.5
 &rst
  ixpk= 0, nxpk= 0, iat=  81,  44, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    3 RU    H6      2 GUA  H2'       2.4
 &rst
  ixpk= 0, nxpk= 0, iat=  81,  63, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90,  &end
#
#    3 RU    H6      2 GUA  H3'       3.5
 &rst
  ixpk= 0, nxpk= 0, iat=  81,  61, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    3 RU    H6      2 GUA  H4'       6.0
 &rst
  ixpk= 0, nxpk= 0, iat=  81,  41, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#    3 RU    H5      2 GUA  H2'       5.0
 &rst
  ixpk= 0, nxpk= 0, iat=  83,  63, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    3 RU    H5      2 GUA  H3'       5.0
 &rst
  ixpk= 0, nxpk= 0, iat=  83,  61, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    3 RU    H1'     2 GUA  H2'       5.0
 &rst
  ixpk= 0, nxpk= 0, iat=  78,  63, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    3 RU    H6      4 ADE  H8        5.0
 &rst
  ixpk= 0, nxpk= 0, iat=  81, 111, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    3 RU    H5      4 ADE  H8        5.0
 &rst
  ixpk= 0, nxpk= 0, iat=  83, 111, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    3 RU    H1'     4 ADE  H1'       5.0
 &rst
  ixpk= 0, nxpk= 0, iat=  78, 108, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    4 ADE   H2      5 ADE  H1'       4.0
 &rst
  ixpk= 0, nxpk= 0, iat= 120, 141, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#    4 ADE   H2      5 ADE  H2'       6.0
 &rst
  ixpk= 0, nxpk= 0, iat= 120, 159, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#    4 ADE   H2     40 GUA  H1'       3.5
 &rst
  ixpk= 0, nxpk= 0, iat= 120,1260, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    4 ADE   H8      4 ADE  H1'       4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 111, 108, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    4 ADE   H8      4 ADE  H2'       4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 111, 126, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    4 ADE   H8      4 ADE  H3'       3.5
 &rst
  ixpk= 0, nxpk= 0, iat= 111, 124, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    4 ADE   H8      4 ADE  H4'       5.0
 &rst
  ixpk= 0, nxpk= 0, iat= 111, 105, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    4 ADE   H8      4 ADE  Q5'       5.0
 &rst
  ixpk= 0, nxpk= 0, iat= 111,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 102, 103,
 &end
#
#    4 ADE   H1'     4 ADE  H2'       3.0
 &rst
  ixpk= 0, nxpk= 0, iat= 108, 126, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#    4 ADE   H1'     4 ADE  H3'       4.0
 &rst
  ixpk= 0, nxpk= 0, iat= 108, 124, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#    4 ADE   H1'     4 ADE  H4'       4.0
 &rst
  ixpk= 0, nxpk= 0, iat= 108, 105, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#    4 ADE   H1'     4 ADE  Q5'       5.5
 &rst
  ixpk= 0, nxpk= 0, iat= 108,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 102, 103,
 &end
#
#    4 ADE   H8      3 RU   H1'       4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 111,  78, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    4 ADE   H8      3 RU   H2'       2.4
 &rst
  ixpk= 0, nxpk= 0, iat= 111,  93, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90,  &end
#
#    4 ADE   H8      3 RU   H3'       3.5
 &rst
  ixpk= 0, nxpk= 0, iat= 111,  91, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    4 ADE   H8      3 RU   H4'       6.0
 &rst
  ixpk= 0, nxpk= 0, iat= 111,  75, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#    4 ADE   H1'     3 RU   H2'       5.0
 &rst
  ixpk= 0, nxpk= 0, iat= 108,  93, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    5 ADE   H2      6 GUA  H1'       3.5
 &rst
  ixpk= 0, nxpk= 0, iat= 153, 174, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    5 ADE   H8      5 ADE  H1'       4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 144, 141, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    5 ADE   H8      5 ADE  H2'       4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 144, 159, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    5 ADE   H8      5 ADE  H3'       4.0
 &rst
  ixpk= 0, nxpk= 0, iat= 144, 157, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#    5 ADE   H8      5 ADE  H4'       5.0
 &rst
  ixpk= 0, nxpk= 0, iat= 144, 138, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    5 ADE   H8      5 ADE  Q5'       6.0
 &rst
  ixpk= 0, nxpk= 0, iat= 144,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 135, 136,
 &end
#
#    5 ADE   H1'     5 ADE  H2'       3.0
 &rst
  ixpk= 0, nxpk= 0, iat= 141, 159, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#    5 ADE   H1'     5 ADE  H3'       5.0
 &rst
  ixpk= 0, nxpk= 0, iat= 141, 157, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    5 ADE   H1'     5 ADE  H4'       5.0
 &rst
  ixpk= 0, nxpk= 0, iat= 141, 138, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    5 ADE   H8      4 ADE  H1'       5.0
 &rst
  ixpk= 0, nxpk= 0, iat= 144, 108, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    5 ADE   H8      4 ADE  H2'       3.5
 &rst
  ixpk= 0, nxpk= 0, iat= 144, 126, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    5 ADE   H8      4 ADE  H3'       4.0
 &rst
  ixpk= 0, nxpk= 0, iat= 144, 124, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#    5 ADE   H8      4 ADE  H4'       7.0
 &rst
  ixpk= 0, nxpk= 0, iat= 144, 105, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#    6 GUA   H8      6 GUA  H1'       4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 177, 174, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    6 GUA   H8      6 GUA  H2'       4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 177, 193, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    6 GUA   H8      6 GUA  H3'       3.5
 &rst
  ixpk= 0, nxpk= 0, iat= 177, 191, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    6 GUA   H8      6 GUA  H4'       5.0
 &rst
  ixpk= 0, nxpk= 0, iat= 177, 171, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    6 GUA   H8      6 GUA  Q5'       5.0
 &rst
  ixpk= 0, nxpk= 0, iat= 177,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 168, 169,
 &end
#
#    6 GUA   H1'     6 GUA  H2'       3.0
 &rst
  ixpk= 0, nxpk= 0, iat= 174, 193, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#    6 GUA   H1'     6 GUA  H3'       4.0
 &rst
  ixpk= 0, nxpk= 0, iat= 174, 191, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#    6 GUA   H1'     6 GUA  H4'       4.0
 &rst
  ixpk= 0, nxpk= 0, iat= 174, 171, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#    6 GUA   H8      5 ADE  H2'       3.5
 &rst
  ixpk= 0, nxpk= 0, iat= 177, 159, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    6 GUA   H8      5 ADE  H3'       4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 177, 157, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    7 GUA   H8      7 GUA  H1'       4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 211, 208, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    7 GUA   H8      7 GUA  H2'       4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 211, 227, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    7 GUA   H8      7 GUA  H3'       3.5
 &rst
  ixpk= 0, nxpk= 0, iat= 211, 225, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    7 GUA   H8      7 GUA  H4'       5.0
 &rst
  ixpk= 0, nxpk= 0, iat= 211, 205, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    7 GUA   H8      7 GUA  Q5'       5.0
 &rst
  ixpk= 0, nxpk= 0, iat= 211,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 202, 203,
 &end
#
#    7 GUA   H1'     7 GUA  H2'       3.0
 &rst
  ixpk= 0, nxpk= 0, iat= 208, 227, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#    7 GUA   H1'     7 GUA  H3'       4.0
 &rst
  ixpk= 0, nxpk= 0, iat= 208, 225, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#    7 GUA   H1'     7 GUA  H4'       4.0
 &rst
  ixpk= 0, nxpk= 0, iat= 208, 205, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#    7 GUA   H1'     7 GUA  Q5'       5.0
 &rst
  ixpk= 0, nxpk= 0, iat= 208,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 202, 203,
 &end
#
#    7 GUA   H8      6 GUA  H1'       4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 211, 174, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    7 GUA   H8      6 GUA  H2'       2.4
 &rst
  ixpk= 0, nxpk= 0, iat= 211, 193, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90,  &end
#
#    7 GUA   H8      6 GUA  H3'       3.5
 &rst
  ixpk= 0, nxpk= 0, iat= 211, 191, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    7 GUA   H1'     6 GUA  H2'       5.0
 &rst
  ixpk= 0, nxpk= 0, iat= 208, 193, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    8 RU    H6      8 RU   H1'       4.0
 &rst
  ixpk= 0, nxpk= 0, iat= 245, 242, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#    8 RU    H6      8 RU   H2'       4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 245, 257, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    8 RU    H6      8 RU   H3'       3.5
 &rst
  ixpk= 0, nxpk= 0, iat= 245, 255, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    8 RU    H6      8 RU   H4'       5.0
 &rst
  ixpk= 0, nxpk= 0, iat= 245, 239, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    8 RU    H6      8 RU   Q5'       5.0
 &rst
  ixpk= 0, nxpk= 0, iat= 245,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 236, 237,
 &end
#
#    8 RU    H5      8 RU   H2'       6.0
 &rst
  ixpk= 0, nxpk= 0, iat= 247, 257, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#    8 RU    H5      8 RU   H3'       5.0
 &rst
  ixpk= 0, nxpk= 0, iat= 247, 255, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    8 RU    H1'     8 RU   H2'       3.0
 &rst
  ixpk= 0, nxpk= 0, iat= 242, 257, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#    8 RU    H1'     8 RU   H3'       4.0
 &rst
  ixpk= 0, nxpk= 0, iat= 242, 255, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#    8 RU    H1'     8 RU   H4'       4.0
 &rst
  ixpk= 0, nxpk= 0, iat= 242, 239, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#    8 RU    H1'     8 RU   Q5'       6.0
 &rst
  ixpk= 0, nxpk= 0, iat= 242,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 236, 237,
 &end
#
#    8 RU    H6      7 GUA  H1'       4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 245, 208, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    8 RU    H6      7 GUA  H2'       2.5
 &rst
  ixpk= 0, nxpk= 0, iat= 245, 227, r1= 1.30, r2= 1.80, r3= 2.50, r4= 3.00,  &end
#
#    8 RU    H6      7 GUA  H3'       3.5
 &rst
  ixpk= 0, nxpk= 0, iat= 245, 225, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    8 RU    H6      7 GUA  H4'       6.0
 &rst
  ixpk= 0, nxpk= 0, iat= 245, 205, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#    8 RU    H5      7 GUA  H2'       4.0
 &rst
  ixpk= 0, nxpk= 0, iat= 247, 227, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#    8 RU    H5      7 GUA  H3'       5.0
 &rst
  ixpk= 0, nxpk= 0, iat= 247, 225, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    8 RU    H1'     7 GUA  H2'       5.0
 &rst
  ixpk= 0, nxpk= 0, iat= 242, 227, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    8 RU    H1'     7 GUA  H3'       6.5
 &rst
  ixpk= 0, nxpk= 0, iat= 242, 225, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,  &end
#
#    9 GUA   H8      9 GUA  H1'       4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 275, 272, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    9 GUA   H8      9 GUA  H3'       3.5
 &rst
  ixpk= 0, nxpk= 0, iat= 275, 289, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    9 GUA   H8      9 GUA  H4'       5.0
 &rst
  ixpk= 0, nxpk= 0, iat= 275, 269, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    9 GUA   H8      9 GUA  Q5'       5.0
 &rst
  ixpk= 0, nxpk= 0, iat= 275,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 266, 267,
 &end
#
#    9 GUA   H1'     9 GUA  H3'       4.0
 &rst
  ixpk= 0, nxpk= 0, iat= 272, 289, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#    9 GUA   H1'     9 GUA  H4'       4.0
 &rst
  ixpk= 0, nxpk= 0, iat= 272, 269, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#    9 GUA   H1'     9 GUA  Q5'       6.0
 &rst
  ixpk= 0, nxpk= 0, iat= 272,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 266, 267,
 &end
#
#    9 GUA   H8      8 RU   H1'       4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 275, 242, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    9 GUA   H8      8 RU   H2'       2.4
 &rst
  ixpk= 0, nxpk= 0, iat= 275, 257, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90,  &end
#
#    9 GUA   H8      8 RU   H3'       3.5
 &rst
  ixpk= 0, nxpk= 0, iat= 275, 255, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   10 GUA   H8     10 GUA  H1'       4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 309, 306, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   10 GUA   H8     10 GUA  H2'       4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 309, 325, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   10 GUA   H8     10 GUA  H3'       3.5
 &rst
  ixpk= 0, nxpk= 0, iat= 309, 323, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   10 GUA   H8     10 GUA  H4'       5.0
 &rst
  ixpk= 0, nxpk= 0, iat= 309, 303, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   10 GUA   H8     10 GUA  Q5'       5.0
 &rst
  ixpk= 0, nxpk= 0, iat= 309,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 300, 301,
 &end
#
#   10 GUA   H1'    10 GUA  H2'       3.0
 &rst
  ixpk= 0, nxpk= 0, iat= 306, 325, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   10 GUA   H1'    10 GUA  H3'       4.0
 &rst
  ixpk= 0, nxpk= 0, iat= 306, 323, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   10 GUA   H1'    10 GUA  H4'       4.0
 &rst
  ixpk= 0, nxpk= 0, iat= 306, 303, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   10 GUA   H1'    10 GUA  Q5'       6.0
 &rst
  ixpk= 0, nxpk= 0, iat= 306,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 300, 301,
 &end
#
#   10 GUA   H8      9 GUA  H1'       4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 309, 272, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   10 GUA   H8      9 GUA  H2'       2.4
 &rst
  ixpk= 0, nxpk= 0, iat= 309, 291, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90,  &end
#
#   10 GUA   H8      9 GUA  H3'       3.5
 &rst
  ixpk= 0, nxpk= 0, iat= 309, 289, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   11 GUA   H8     11 GUA  H1'       4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 343, 340, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   11 GUA   H8     11 GUA  H2'       4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 343, 359, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   11 GUA   H8     11 GUA  H3'       3.5
 &rst
  ixpk= 0, nxpk= 0, iat= 343, 357, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   11 GUA   H8     11 GUA  H4'       5.0
 &rst
  ixpk= 0, nxpk= 0, iat= 343, 337, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   11 GUA   H8     11 GUA  Q5'       5.0
 &rst
  ixpk= 0, nxpk= 0, iat= 343,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 334, 335,
 &end
#
#   11 GUA   H1'    11 GUA  H2'       3.0
 &rst
  ixpk= 0, nxpk= 0, iat= 340, 359, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   11 GUA   H1'    11 GUA  H3'       4.0
 &rst
  ixpk= 0, nxpk= 0, iat= 340, 357, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   11 GUA   H1'    11 GUA  H4'       4.0
 &rst
  ixpk= 0, nxpk= 0, iat= 340, 337, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   11 GUA   H1'    11 GUA  H5'       6.0
 &rst
  ixpk= 0, nxpk= 0, iat= 340, 334, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   11 GUA   H8     10 GUA  H1'       4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 343, 306, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   11 GUA   H8     10 GUA  H2'       2.4
 &rst
  ixpk= 0, nxpk= 0, iat= 343, 325, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90,  &end
#
#   11 GUA   H8     10 GUA  H3'       3.5
 &rst
  ixpk= 0, nxpk= 0, iat= 343, 323, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   11 GUA   H8     10 GUA  H4'       6.0
 &rst
  ixpk= 0, nxpk= 0, iat= 343, 303, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   11 GUA   H1'    10 GUA  H2'       5.0
 &rst
  ixpk= 0, nxpk= 0, iat= 340, 325, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   12 RU    H6     12 RU   H1'       4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 377, 374, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   12 RU    H6     12 RU   H2'       4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 377, 389, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   12 RU    H6     12 RU   H3'       3.5
 &rst
  ixpk= 0, nxpk= 0, iat= 377, 387, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   12 RU    H6     12 RU   H4'       5.0
 &rst
  ixpk= 0, nxpk= 0, iat= 377, 371, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   12 RU    H6     12 RU   Q5'       5.0
 &rst
  ixpk= 0, nxpk= 0, iat= 377,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 368, 369,
 &end
#
#   12 RU    H5     12 RU   H2'       6.0
 &rst
  ixpk= 0, nxpk= 0, iat= 379, 389, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   12 RU    H5     12 RU   H3'       5.0
 &rst
  ixpk= 0, nxpk= 0, iat= 379, 387, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   12 RU    H1'    12 RU   H2'       3.0
 &rst
  ixpk= 0, nxpk= 0, iat= 374, 389, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   12 RU    H1'    12 RU   H3'       4.0
 &rst
  ixpk= 0, nxpk= 0, iat= 374, 387, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   12 RU    H1'    12 RU   H4'       4.0
 &rst
  ixpk= 0, nxpk= 0, iat= 374, 371, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   12 RU    H1'    12 RU   Q5'       6.0
 &rst
  ixpk= 0, nxpk= 0, iat= 374,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 368, 369,
 &end
#
#   12 RU    H6     11 GUA  H1'       4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 377, 340, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   12 RU    H6     11 GUA  H2'       2.4
 &rst
  ixpk= 0, nxpk= 0, iat= 377, 359, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90,  &end
#
#   12 RU    H6     11 GUA  H3'       3.5
 &rst
  ixpk= 0, nxpk= 0, iat= 377, 357, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   12 RU    H6     11 GUA  H4'       6.0
 &rst
  ixpk= 0, nxpk= 0, iat= 377, 337, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   12 RU    H5     11 GUA  H2'       5.0
 &rst
  ixpk= 0, nxpk= 0, iat= 379, 359, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   12 RU    H5     11 GUA  H3'       5.0
 &rst
  ixpk= 0, nxpk= 0, iat= 379, 357, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   12 RU    H1'    11 GUA  H2'       5.0
 &rst
  ixpk= 0, nxpk= 0, iat= 374, 359, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   12 RU    H1'    11 GUA  H3'       6.5
 &rst
  ixpk= 0, nxpk= 0, iat= 374, 357, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,  &end
#
#   12 RU    H1'    13 GUA  H1'       5.0
 &rst
  ixpk= 0, nxpk= 0, iat= 374, 404, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   13 GUA   H8     13 GUA  H1'       4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 407, 404, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   13 GUA   H8     13 GUA  H2'       4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 407, 423, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   13 GUA   H8     13 GUA  H3'       3.5
 &rst
  ixpk= 0, nxpk= 0, iat= 407, 421, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   13 GUA   H8     13 GUA  H4'       5.0
 &rst
  ixpk= 0, nxpk= 0, iat= 407, 401, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   13 GUA   H8     13 GUA  Q5'       5.0
 &rst
  ixpk= 0, nxpk= 0, iat= 407,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 398, 399,
 &end
#
#   13 GUA   H1'    13 GUA  H2'       5.0
 &rst
  ixpk= 0, nxpk= 0, iat= 404, 423, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   13 GUA   H1'    13 GUA  H3'       6.0
 &rst
  ixpk= 0, nxpk= 0, iat= 404, 421, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   13 GUA   H1'    13 GUA  H4'       4.0
 &rst
  ixpk= 0, nxpk= 0, iat= 404, 401, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   13 GUA   H1'    13 GUA  Q5'       6.0
 &rst
  ixpk= 0, nxpk= 0, iat= 404,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 398, 399,
 &end
#
#   13 GUA   H8     12 RU   H1'       4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 407, 374, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   13 GUA   H8     12 RU   H2'       2.4
 &rst
  ixpk= 0, nxpk= 0, iat= 407, 389, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90,  &end
#
#   13 GUA   H8     12 RU   H3'       3.5
 &rst
  ixpk= 0, nxpk= 0, iat= 407, 387, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   13 GUA   H1'    12 RU   H2'       5.0
 &rst
  ixpk= 0, nxpk= 0, iat= 404, 389, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   13 GUA   H1'    14 GUA  H1'       6.0
 &rst
  ixpk= 0, nxpk= 0, iat= 404, 438, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   14 GUA   H8     14 GUA  H1'       4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 441, 438, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   14 GUA   H8     14 GUA  H2'       4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 441, 457, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   14 GUA   H8     14 GUA  H3'       3.5
 &rst
  ixpk= 0, nxpk= 0, iat= 441, 455, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   14 GUA   H8     14 GUA  H4'       5.0
 &rst
  ixpk= 0, nxpk= 0, iat= 441, 435, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   14 GUA   H8     14 GUA  Q5'       5.0
 &rst
  ixpk= 0, nxpk= 0, iat= 441,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 432, 433,
 &end
#
#   14 GUA   H1'    14 GUA  H2'       5.0
 &rst
  ixpk= 0, nxpk= 0, iat= 438, 457, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   14 GUA   H1'    14 GUA  H3'       6.0
 &rst
  ixpk= 0, nxpk= 0, iat= 438, 455, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   14 GUA   H1'    14 GUA  H4'       4.0
 &rst
  ixpk= 0, nxpk= 0, iat= 438, 435, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   14 GUA   H1'    14 GUA  Q5'       6.0
 &rst
  ixpk= 0, nxpk= 0, iat= 438,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 432, 433,
 &end
#
#   14 GUA   H8     13 GUA  H1'       4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 441, 404, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   14 GUA   H8     13 GUA  H2'       2.4
 &rst
  ixpk= 0, nxpk= 0, iat= 441, 423, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90,  &end
#
#   14 GUA   H8     13 GUA  H3'       3.5
 &rst
  ixpk= 0, nxpk= 0, iat= 441, 421, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   14 GUA   H8     13 GUA  H4'       6.0
 &rst
  ixpk= 0, nxpk= 0, iat= 441, 401, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   14 GUA   H1'    13 GUA  H2'       5.0
 &rst
  ixpk= 0, nxpk= 0, iat= 438, 423, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   15 ADE   H8     15 ADE  H1'       5.0
 &rst
  ixpk= 0, nxpk= 0, iat= 475, 472, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   15 ADE   H8     15 ADE  H3'       4.0
 &rst
  ixpk= 0, nxpk= 0, iat= 475, 488, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   15 ADE   H1'    15 ADE  H2'       5.0
 &rst
  ixpk= 0, nxpk= 0, iat= 472, 490, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   15 ADE   H1'    15 ADE  H3'       5.0
 &rst
  ixpk= 0, nxpk= 0, iat= 472, 488, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   15 ADE   H8     14 GUA  H1'       4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 475, 438, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   15 ADE   H8     14 GUA  H2'       5.0
 &rst
  ixpk= 0, nxpk= 0, iat= 475, 457, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   15 ADE   H8     14 GUA  H3'       5.0
 &rst
  ixpk= 0, nxpk= 0, iat= 475, 455, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   16 ADE   H2     17 RU   H1'       4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 517, 538, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   16 ADE   H2     28 CYT  H1'       3.5
 &rst
  ixpk= 0, nxpk= 0, iat= 517, 886, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   16 ADE   H8     16 ADE  H1'       4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 508, 505, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   16 ADE   H8     16 ADE  H2'       4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 508, 523, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   16 ADE   H8     16 ADE  H3'       4.0
 &rst
  ixpk= 0, nxpk= 0, iat= 508, 521, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   16 ADE   H8     16 ADE  H4'       5.0
 &rst
  ixpk= 0, nxpk= 0, iat= 508, 502, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   16 ADE   H1'    16 ADE  H2'       3.0
 &rst
  ixpk= 0, nxpk= 0, iat= 505, 523, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   16 ADE   H1'    16 ADE  H3'       4.0
 &rst
  ixpk= 0, nxpk= 0, iat= 505, 521, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   16 ADE   H1'    16 ADE  H4'       4.0
 &rst
  ixpk= 0, nxpk= 0, iat= 505, 502, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   16 ADE   H8     15 ADE  H1'       4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 508, 472, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   16 ADE   H8     15 ADE  H2'       3.5
 &rst
  ixpk= 0, nxpk= 0, iat= 508, 490, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   16 ADE   H8     17 RU   H5        5.0
 &rst
  ixpk= 0, nxpk= 0, iat= 508, 543, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   16 ADE   H1'    17 RU   H1'       6.0
 &rst
  ixpk= 0, nxpk= 0, iat= 505, 538, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   17 RU    H6     17 RU   H1'       4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 541, 538, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   17 RU    H6     17 RU   H2'       4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 541, 553, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   17 RU    H6     17 RU   H3'       3.5
 &rst
  ixpk= 0, nxpk= 0, iat= 541, 551, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   17 RU    H6     17 RU   H4'       5.0
 &rst
  ixpk= 0, nxpk= 0, iat= 541, 535, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   17 RU    H6     17 RU   Q5'       5.0
 &rst
  ixpk= 0, nxpk= 0, iat= 541,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 532, 533,
 &end
#
#   17 RU    H5     17 RU   H2'       6.0
 &rst
  ixpk= 0, nxpk= 0, iat= 543, 553, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   17 RU    H5     17 RU   H3'       5.0
 &rst
  ixpk= 0, nxpk= 0, iat= 543, 551, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   17 RU    H1'    17 RU   H2'       3.0
 &rst
  ixpk= 0, nxpk= 0, iat= 538, 553, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   17 RU    H1'    17 RU   H3'       4.0
 &rst
  ixpk= 0, nxpk= 0, iat= 538, 551, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   17 RU    H1'    17 RU   H4'       4.0
 &rst
  ixpk= 0, nxpk= 0, iat= 538, 535, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   17 RU    H1'    17 RU   Q5'       6.0
 &rst
  ixpk= 0, nxpk= 0, iat= 538,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 532, 533,
 &end
#
#   17 RU    H6     16 ADE  H1'       4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 541, 505, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   17 RU    H6     16 ADE  H2'       2.4
 &rst
  ixpk= 0, nxpk= 0, iat= 541, 523, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90,  &end
#
#   17 RU    H6     16 ADE  H3'       3.5
 &rst
  ixpk= 0, nxpk= 0, iat= 541, 521, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   17 RU    H5     16 ADE  H2'       5.0
 &rst
  ixpk= 0, nxpk= 0, iat= 543, 523, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   17 RU    H5     16 ADE  H3'       5.0
 &rst
  ixpk= 0, nxpk= 0, iat= 543, 521, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   17 RU    H1'    16 ADE  H2'       6.0
 &rst
  ixpk= 0, nxpk= 0, iat= 538, 523, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   17 RU    H1'    16 ADE  H3'       6.5
 &rst
  ixpk= 0, nxpk= 0, iat= 538, 521, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,  &end
#
#   17 RU    H6     18 CYT  H5        5.0
 &rst
  ixpk= 0, nxpk= 0, iat= 541, 573, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   17 RU    H5     18 CYT  H5        5.0
 &rst
  ixpk= 0, nxpk= 0, iat= 543, 573, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   17 RU    H6     18 CYT  H6        5.0
 &rst
  ixpk= 0, nxpk= 0, iat= 541, 571, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   18 CYT   H6     18 CYT  H1'       4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 571, 568, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   18 CYT   H6     18 CYT  H2'       4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 571, 584, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   18 CYT   H6     18 CYT  H3'       3.5
 &rst
  ixpk= 0, nxpk= 0, iat= 571, 582, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   18 CYT   H6     18 CYT  H4'       5.0
 &rst
  ixpk= 0, nxpk= 0, iat= 571, 565, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   18 CYT   H6     18 CYT  Q5'       5.0
 &rst
  ixpk= 0, nxpk= 0, iat= 571,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 562, 563,
 &end
#
#   18 CYT   H5     18 CYT  H2'       6.0
 &rst
  ixpk= 0, nxpk= 0, iat= 573, 584, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   18 CYT   H5     18 CYT  H3'       5.0
 &rst
  ixpk= 0, nxpk= 0, iat= 573, 582, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   18 CYT   H1'    18 CYT  H2'       3.0
 &rst
  ixpk= 0, nxpk= 0, iat= 568, 584, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   18 CYT   H1'    18 CYT  H3'       4.0
 &rst
  ixpk= 0, nxpk= 0, iat= 568, 582, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   18 CYT   H1'    18 CYT  H4'       4.0
 &rst
  ixpk= 0, nxpk= 0, iat= 568, 565, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   18 CYT   H1'    18 CYT  Q5'       6.0
 &rst
  ixpk= 0, nxpk= 0, iat= 568,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 562, 563,
 &end
#
#   18 CYT   H6     17 RU   H1'       4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 571, 538, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   18 CYT   H6     17 RU   H2'       2.4
 &rst
  ixpk= 0, nxpk= 0, iat= 571, 553, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90,  &end
#
#   18 CYT   H6     17 RU   H3'       3.5
 &rst
  ixpk= 0, nxpk= 0, iat= 571, 551, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   18 CYT   H6     17 RU   H4'       6.0
 &rst
  ixpk= 0, nxpk= 0, iat= 571, 535, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   18 CYT   H5     17 RU   H2'       5.0
 &rst
  ixpk= 0, nxpk= 0, iat= 573, 553, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   18 CYT   H5     17 RU   H3'       5.0
 &rst
  ixpk= 0, nxpk= 0, iat= 573, 551, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   18 CYT   H1'    17 RU   H2'       5.0
 &rst
  ixpk= 0, nxpk= 0, iat= 568, 553, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   18 CYT   H6     19 CYT  H5        5.0
 &rst
  ixpk= 0, nxpk= 0, iat= 571, 604, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   18 CYT   H5     19 CYT  H5        6.0
 &rst
  ixpk= 0, nxpk= 0, iat= 573, 604, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   18 CYT   H5     19 CYT  H6        5.0
 &rst
  ixpk= 0, nxpk= 0, iat= 573, 602, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   18 CYT   H6     19 CYT  H6        5.0
 &rst
  ixpk= 0, nxpk= 0, iat= 571, 602, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   19 CYT   H6     19 CYT  H1'       4.0
 &rst
  ixpk= 0, nxpk= 0, iat= 602, 599, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   19 CYT   H6     19 CYT  H2'       4.0
 &rst
  ixpk= 0, nxpk= 0, iat= 602, 615, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   19 CYT   H6     19 CYT  H3'       3.5
 &rst
  ixpk= 0, nxpk= 0, iat= 602, 613, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   19 CYT   H6     19 CYT  H4'       5.0
 &rst
  ixpk= 0, nxpk= 0, iat= 602, 596, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   19 CYT   H5     19 CYT  H3'       5.0
 &rst
  ixpk= 0, nxpk= 0, iat= 604, 613, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   19 CYT   H1'    19 CYT  H2'       3.0
 &rst
  ixpk= 0, nxpk= 0, iat= 599, 615, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   19 CYT   H1'    19 CYT  H3'       4.0
 &rst
  ixpk= 0, nxpk= 0, iat= 599, 613, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   19 CYT   H1'    19 CYT  H4'       4.0
 &rst
  ixpk= 0, nxpk= 0, iat= 599, 596, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   19 CYT   H6     18 CYT  H1'       4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 602, 568, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   19 CYT   H6     18 CYT  H2'       2.4
 &rst
  ixpk= 0, nxpk= 0, iat= 602, 584, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90,  &end
#
#   19 CYT   H6     18 CYT  H3'       3.5
 &rst
  ixpk= 0, nxpk= 0, iat= 602, 582, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   19 CYT   H6     18 CYT  H4'       6.0
 &rst
  ixpk= 0, nxpk= 0, iat= 602, 565, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   19 CYT   H5     18 CYT  H2'       5.0
 &rst
  ixpk= 0, nxpk= 0, iat= 604, 584, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   19 CYT   H5     18 CYT  H3'       5.0
 &rst
  ixpk= 0, nxpk= 0, iat= 604, 582, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   19 CYT   H1'    18 CYT  H2'       5.0
 &rst
  ixpk= 0, nxpk= 0, iat= 599, 584, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   19 CYT   H6     20 RU   H5        5.0
 &rst
  ixpk= 0, nxpk= 0, iat= 602, 635, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   19 CYT   H5     20 RU   H5        5.0
 &rst
  ixpk= 0, nxpk= 0, iat= 604, 635, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   19 CYT   H5     20 RU   H6        6.0
 &rst
  ixpk= 0, nxpk= 0, iat= 604, 633, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   19 CYT   H6     20 RU   H6        5.0
 &rst
  ixpk= 0, nxpk= 0, iat= 602, 633, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   20 RU    H6     20 RU   H1'       4.0
 &rst
  ixpk= 0, nxpk= 0, iat= 633, 630, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   20 RU    H6     20 RU   H2'       4.0
 &rst
  ixpk= 0, nxpk= 0, iat= 633, 645, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   20 RU    H6     20 RU   H3'       3.5
 &rst
  ixpk= 0, nxpk= 0, iat= 633, 643, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   20 RU    H6     20 RU   H4'       5.0
 &rst
  ixpk= 0, nxpk= 0, iat= 633, 627, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   20 RU    H6     20 RU   Q5'       5.0
 &rst
  ixpk= 0, nxpk= 0, iat= 633,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 624, 625,
 &end
#
#   20 RU    H5     20 RU   H3'       5.0
 &rst
  ixpk= 0, nxpk= 0, iat= 635, 643, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   20 RU    H1'    20 RU   H2'       3.0
 &rst
  ixpk= 0, nxpk= 0, iat= 630, 645, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   20 RU    H1'    20 RU   H3'       4.0
 &rst
  ixpk= 0, nxpk= 0, iat= 630, 643, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   20 RU    H1'    20 RU   H4'       4.0
 &rst
  ixpk= 0, nxpk= 0, iat= 630, 627, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   20 RU    H1'    20 RU   Q5'       6.0
 &rst
  ixpk= 0, nxpk= 0, iat= 630,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 624, 625,
 &end
#
#   20 RU    H1'    22 CYT  H5        5.0
 &rst
  ixpk= 0, nxpk= 0, iat= 630, 695, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   20 RU    H6     19 CYT  H1'       5.0
 &rst
  ixpk= 0, nxpk= 0, iat= 633, 599, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   20 RU    H6     19 CYT  H2'       2.5
 &rst
  ixpk= 0, nxpk= 0, iat= 633, 615, r1= 1.30, r2= 1.80, r3= 2.50, r4= 3.00,  &end
#
#   20 RU    H6     19 CYT  H3'       3.5
 &rst
  ixpk= 0, nxpk= 0, iat= 633, 613, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   20 RU    H5     19 CYT  H2'       5.0
 &rst
  ixpk= 0, nxpk= 0, iat= 635, 615, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   20 RU    H2'    21 RU   H6        6.0
 &rst
  ixpk= 0, nxpk= 0, iat= 645, 663, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   20 RU    H2'    22 CYT  H6        4.0
 &rst
  ixpk= 0, nxpk= 0, iat= 645, 693, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   20 RU    H2'    22 CYT  H5        2.5
 &rst
  ixpk= 0, nxpk= 0, iat= 645, 695, r1= 1.30, r2= 1.80, r3= 2.50, r4= 3.00,  &end
#
#   20 RU    H2'    21 RU   H2'       4.0
 &rst
  ixpk= 0, nxpk= 0, iat= 645, 675, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   20 RU    H2'    21 RU   Q5'       5.0
 &rst
  ixpk= 0, nxpk= 0, iat= 645,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 654, 655,
 &end
#
#   20 RU    H3'    22 CYT  H5        4.0
 &rst
  ixpk= 0, nxpk= 0, iat= 643, 695, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   20 RU    H3'    21 RU   H6        6.0
 &rst
  ixpk= 0, nxpk= 0, iat= 643, 663, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   20 RU    H4'    21 RU   H6        6.0
 &rst
  ixpk= 0, nxpk= 0, iat= 627, 663, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   20 RU    H4'    22 CYT  H5        6.0
 &rst
  ixpk= 0, nxpk= 0, iat= 627, 695, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   20 RU    H4'    21 RU   H5        5.5
 &rst
  ixpk= 0, nxpk= 0, iat= 627, 665, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   21 RU    H6     21 RU   H1'       4.0
 &rst
  ixpk= 0, nxpk= 0, iat= 663, 660, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   22 CYT   H6     21 RU   H1'       6.0
 &rst
  ixpk= 0, nxpk= 0, iat= 693, 660, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   21 RU    H1'    21 RU   H2'       3.5
 &rst
  ixpk= 0, nxpk= 0, iat= 660, 675, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   21 RU    H1'    21 RU   H3'       4.0
 &rst
  ixpk= 0, nxpk= 0, iat= 660, 673, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   21 RU    H1'    21 RU   H4'       3.5
 &rst
  ixpk= 0, nxpk= 0, iat= 660, 657, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   21 RU    H1'    21 RU   Q5'       5.0
 &rst
  ixpk= 0, nxpk= 0, iat= 660,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 654, 655,
 &end
#
#   21 RU    H2'    21 RU   H5        5.5
 &rst
  ixpk= 0, nxpk= 0, iat= 675, 665, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   21 RU    H2'    21 RU   H6        3.5
 &rst
  ixpk= 0, nxpk= 0, iat= 675, 663, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   21 RU    H2'    22 CYT  H6        4.0
 &rst
  ixpk= 0, nxpk= 0, iat= 675, 693, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   21 RU    H3'    21 RU   H6        5.0
 &rst
  ixpk= 0, nxpk= 0, iat= 673, 663, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   21 RU    H3'    21 RU   H5        7.0
 &rst
  ixpk= 0, nxpk= 0, iat= 673, 665, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#   21 RU    H3'    22 CYT  H6        3.0
 &rst
  ixpk= 0, nxpk= 0, iat= 673, 693, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   21 RU    H3'    22 CYT  Q5'       4.0
 &rst
  ixpk= 0, nxpk= 0, iat= 673,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2= 684, 685,
 &end
#
#   21 RU    H4'    22 CYT  H5        5.0
 &rst
  ixpk= 0, nxpk= 0, iat= 657, 695, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   21 RU    H4'    22 CYT  H6        5.0
 &rst
  ixpk= 0, nxpk= 0, iat= 657, 693, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   21 RU    Q5'    22 CYT  H5        3.5
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 695, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 654, 655,
 &end
#
#   21 RU    Q5'    22 CYT  H6        4.5
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 693, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 654, 655,
 &end
#
#   21 RU    Q5'    21 RU   H6        4.5
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 663, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 654, 655,
 &end
#
#   22 CYT   H1'    22 CYT  H6        4.0
 &rst
  ixpk= 0, nxpk= 0, iat= 690, 693, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   22 CYT   H1'    23 GUA  H3'       5.5
 &rst
  ixpk= 0, nxpk= 0, iat= 690, 738, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   22 CYT   H1'    22 CYT  H2'       3.5
 &rst
  ixpk= 0, nxpk= 0, iat= 690, 706, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   22 CYT   H1'    22 CYT  H3'       4.0
 &rst
  ixpk= 0, nxpk= 0, iat= 690, 704, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   22 CYT   H1'    22 CYT  H4'       4.0
 &rst
  ixpk= 0, nxpk= 0, iat= 690, 687, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   22 CYT   H1'    22 CYT  Q5'       6.0
 &rst
  ixpk= 0, nxpk= 0, iat= 690,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 684, 685,
 &end
#
#   22 CYT   H2'    22 CYT  H6        3.5
 &rst
  ixpk= 0, nxpk= 0, iat= 706, 693, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   22 CYT   H2'    22 CYT  H5        5.5
 &rst
  ixpk= 0, nxpk= 0, iat= 706, 695, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   22 CYT   H2'    22 CYT  Q5'       4.0
 &rst
  ixpk= 0, nxpk= 0, iat= 706,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2= 684, 685,
 &end
#
#   22 CYT   H3'    22 CYT  H6        5.0
 &rst
  ixpk= 0, nxpk= 0, iat= 704, 693, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   22 CYT   H3'    23 GUA  H3'       6.5
 &rst
  ixpk= 0, nxpk= 0, iat= 704, 738, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,  &end
#
#   22 CYT   H4'    22 CYT  H6        5.0
 &rst
  ixpk= 0, nxpk= 0, iat= 687, 693, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   22 CYT   H4'    23 GUA  H8        5.5
 &rst
  ixpk= 0, nxpk= 0, iat= 687, 724, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   22 CYT   H4'    23 GUA  H2'       5.5
 &rst
  ixpk= 0, nxpk= 0, iat= 687, 740, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   22 CYT   H4'    23 GUA  H3'       4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 687, 738, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   22 CYT   H4'    23 GUA  H1'       5.0
 &rst
  ixpk= 0, nxpk= 0, iat= 687, 721, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   22 CYT   H4'    23 GUA  Q5'       5.0
 &rst
  ixpk= 0, nxpk= 0, iat= 687,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 715, 716,
 &end
#
#   22 CYT   Q5'    22 CYT  H6        4.0
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 693, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 684, 685,
 &end
#
#   22 CYT   Q5'    23 GUA  H3'       7.0
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 738, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1= 684, 685,
 &end
#
#   22 CYT   Q5'    23 GUA  H1'       6.0
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 721, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 684, 685,
 &end
#
#   22 CYT   Q5'    23 GUA  H8        6.0
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 724, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 684, 685,
 &end
#
#   23 GUA   H1'    23 GUA  H8        2.5
 &rst
  ixpk= 0, nxpk= 0, iat= 721, 724, r1= 1.30, r2= 1.80, r3= 2.50, r4= 3.00,  &end
#
#   23 GUA   H1'    23 GUA  H2'       3.0
 &rst
  ixpk= 0, nxpk= 0, iat= 721, 740, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   23 GUA   H1'    23 GUA  H3'       4.0
 &rst
  ixpk= 0, nxpk= 0, iat= 721, 738, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   23 GUA   H1'    23 GUA  H4'       3.5
 &rst
  ixpk= 0, nxpk= 0, iat= 721, 718, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   23 GUA   H1'    23 GUA  Q5'       5.5
 &rst
  ixpk= 0, nxpk= 0, iat= 721,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 715, 716,
 &end
#
#   23 GUA   H2'    23 GUA  H8        4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 740, 724, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   23 GUA   H3'    23 GUA  H8        6.0
 &rst
  ixpk= 0, nxpk= 0, iat= 738, 724, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   20 RU    H6     22 CYT  H5        5.0
 &rst
  ixpk= 0, nxpk= 0, iat= 633, 695, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   21 RU    H6     22 CYT  H5        6.0
 &rst
  ixpk= 0, nxpk= 0, iat= 663, 695, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   24 GUA   Q5'    23 GUA  H3'       5.0
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 738, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 749, 750,
 &end
#
#   24 GUA   Q5'    23 GUA  H2'       5.5
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 740, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 749, 750,
 &end
#
#   23 GUA   H1'    24 GUA  H1'       7.0
 &rst
  ixpk= 0, nxpk= 0, iat= 721, 755, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#   24 GUA   H8     24 GUA  H1'       4.0
 &rst
  ixpk= 0, nxpk= 0, iat= 758, 755, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   24 GUA   H8     24 GUA  H2'       4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 758, 774, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   24 GUA   H8     24 GUA  H3'       3.5
 &rst
  ixpk= 0, nxpk= 0, iat= 758, 772, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   24 GUA   H8     24 GUA  H4'       4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 758, 752, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   24 GUA   H8     24 GUA  Q5'       3.0
 &rst
  ixpk= 0, nxpk= 0, iat= 758,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2= 749, 750,
 &end
#
#   24 GUA   H1'    24 GUA  H2'       3.0
 &rst
  ixpk= 0, nxpk= 0, iat= 755, 774, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   24 GUA   H1'    24 GUA  H3'       4.0
 &rst
  ixpk= 0, nxpk= 0, iat= 755, 772, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   24 GUA   H1'    24 GUA  H4'       4.0
 &rst
  ixpk= 0, nxpk= 0, iat= 755, 752, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   24 GUA   H8     23 GUA  H2'       5.0
 &rst
  ixpk= 0, nxpk= 0, iat= 758, 740, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   24 GUA   H8     23 GUA  H3'       4.0
 &rst
  ixpk= 0, nxpk= 0, iat= 758, 738, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   24 GUA   H8     23 GUA  H4'       7.0
 &rst
  ixpk= 0, nxpk= 0, iat= 758, 718, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#   24 GUA   H1'    23 GUA  H2'       5.0
 &rst
  ixpk= 0, nxpk= 0, iat= 755, 740, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   24 GUA   H1'    23 GUA  H3'       5.5
 &rst
  ixpk= 0, nxpk= 0, iat= 755, 738, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   24 GUA   H8     25 GUA  H8        6.0
 &rst
  ixpk= 0, nxpk= 0, iat= 758, 792, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   25 GUA   H8     25 GUA  H1'       4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 792, 789, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   25 GUA   H8     25 GUA  H2'       4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 792, 808, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   25 GUA   H8     25 GUA  H3'       3.5
 &rst
  ixpk= 0, nxpk= 0, iat= 792, 806, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   25 GUA   H8     25 GUA  H4'       5.0
 &rst
  ixpk= 0, nxpk= 0, iat= 792, 786, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   25 GUA   H8     25 GUA  Q5'       5.0
 &rst
  ixpk= 0, nxpk= 0, iat= 792,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 783, 784,
 &end
#
#   25 GUA   H1'    25 GUA  H2'       3.0
 &rst
  ixpk= 0, nxpk= 0, iat= 789, 808, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   25 GUA   H1'    25 GUA  H3'       4.0
 &rst
  ixpk= 0, nxpk= 0, iat= 789, 806, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   25 GUA   H1'    25 GUA  H4'       4.0
 &rst
  ixpk= 0, nxpk= 0, iat= 789, 786, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   25 GUA   H1'    25 GUA  Q5'       6.0
 &rst
  ixpk= 0, nxpk= 0, iat= 789,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 783, 784,
 &end
#
#   25 GUA   H8     24 GUA  H1'       5.0
 &rst
  ixpk= 0, nxpk= 0, iat= 792, 755, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   25 GUA   H8     24 GUA  H2'       2.4
 &rst
  ixpk= 0, nxpk= 0, iat= 792, 774, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90,  &end
#
#   25 GUA   H8     24 GUA  H3'       3.5
 &rst
  ixpk= 0, nxpk= 0, iat= 792, 772, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   25 GUA   H8     24 GUA  H4'       6.0
 &rst
  ixpk= 0, nxpk= 0, iat= 792, 752, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   26 ADE   H2     27 RU   H1'       4.0
 &rst
  ixpk= 0, nxpk= 0, iat= 835, 856, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   26 ADE   H2     18 CYT  H1'       3.5
 &rst
  ixpk= 0, nxpk= 0, iat= 835, 568, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   26 ADE   H8     26 ADE  H1'       4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 826, 823, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   26 ADE   H8     26 ADE  H2'       4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 826, 841, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   26 ADE   H8     26 ADE  H3'       3.5
 &rst
  ixpk= 0, nxpk= 0, iat= 826, 839, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   26 ADE   H8     26 ADE  H4'       5.0
 &rst
  ixpk= 0, nxpk= 0, iat= 826, 820, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   26 ADE   H1'    26 ADE  H2'       3.0
 &rst
  ixpk= 0, nxpk= 0, iat= 823, 841, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   26 ADE   H1'    26 ADE  H3'       4.0
 &rst
  ixpk= 0, nxpk= 0, iat= 823, 839, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   26 ADE   H1'    26 ADE  H4'       4.0
 &rst
  ixpk= 0, nxpk= 0, iat= 823, 820, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   26 ADE   H8     25 GUA  H1'       4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 826, 789, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   26 ADE   H8     25 GUA  H2'       2.4
 &rst
  ixpk= 0, nxpk= 0, iat= 826, 808, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90,  &end
#
#   26 ADE   H8     25 GUA  H3'       3.5
 &rst
  ixpk= 0, nxpk= 0, iat= 826, 806, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   26 ADE   H1'    25 GUA  H2'       5.0
 &rst
  ixpk= 0, nxpk= 0, iat= 823, 808, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   26 ADE   H8     27 RU   H6        6.0
 &rst
  ixpk= 0, nxpk= 0, iat= 826, 859, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   26 ADE   H8     27 RU   H5        5.0
 &rst
  ixpk= 0, nxpk= 0, iat= 826, 861, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   27 RU    H6     27 RU   H1'       4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 859, 856, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   27 RU    H6     27 RU   H3'       3.5
 &rst
  ixpk= 0, nxpk= 0, iat= 859, 869, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   27 RU    H6     27 RU   H4'       5.0
 &rst
  ixpk= 0, nxpk= 0, iat= 859, 853, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   27 RU    H6     27 RU   Q5'       5.0
 &rst
  ixpk= 0, nxpk= 0, iat= 859,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 850, 851,
 &end
#
#   27 RU    H5     27 RU   H3'       5.0
 &rst
  ixpk= 0, nxpk= 0, iat= 861, 869, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   27 RU    H1'    27 RU   H3'       4.0
 &rst
  ixpk= 0, nxpk= 0, iat= 856, 869, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   27 RU    H1'    27 RU   H4'       4.0
 &rst
  ixpk= 0, nxpk= 0, iat= 856, 853, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   27 RU    H1'    27 RU   Q5'       6.0
 &rst
  ixpk= 0, nxpk= 0, iat= 856,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 850, 851,
 &end
#
#   27 RU    H6     26 ADE  H1'       4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 859, 823, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   27 RU    H6     26 ADE  H2'       2.4
 &rst
  ixpk= 0, nxpk= 0, iat= 859, 841, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90,  &end
#
#   27 RU    H6     26 ADE  H3'       3.5
 &rst
  ixpk= 0, nxpk= 0, iat= 859, 839, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   27 RU    H6     26 ADE  H4'       6.0
 &rst
  ixpk= 0, nxpk= 0, iat= 859, 820, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   27 RU    H5     26 ADE  H2'       4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 861, 841, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   27 RU    H5     26 ADE  H3'       5.0
 &rst
  ixpk= 0, nxpk= 0, iat= 861, 839, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   27 RU    H1'    26 ADE  H2'       5.0
 &rst
  ixpk= 0, nxpk= 0, iat= 856, 841, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   27 RU    H1'    26 ADE  H3'       6.5
 &rst
  ixpk= 0, nxpk= 0, iat= 856, 839, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,  &end
#
#   27 RU    H5     28 CYT  H5        5.0
 &rst
  ixpk= 0, nxpk= 0, iat= 861, 891, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   28 CYT   H6     28 CYT  H1'       5.0
 &rst
  ixpk= 0, nxpk= 0, iat= 889, 886, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   28 CYT   H6     28 CYT  H3'       4.0
 &rst
  ixpk= 0, nxpk= 0, iat= 889, 900, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   28 CYT   H6     28 CYT  H4'       5.0
 &rst
  ixpk= 0, nxpk= 0, iat= 889, 883, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   28 CYT   H6     28 CYT  Q5'       5.0
 &rst
  ixpk= 0, nxpk= 0, iat= 889,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 880, 881,
 &end
#
#   28 CYT   H5     28 CYT  H3'       5.0
 &rst
  ixpk= 0, nxpk= 0, iat= 891, 900, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   28 CYT   H1'    28 CYT  H3'       4.0
 &rst
  ixpk= 0, nxpk= 0, iat= 886, 900, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   28 CYT   H1'    28 CYT  H4'       4.0
 &rst
  ixpk= 0, nxpk= 0, iat= 886, 883, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   28 CYT   H1'    28 CYT  Q5'       6.0
 &rst
  ixpk= 0, nxpk= 0, iat= 886,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 880, 881,
 &end
#
#   28 CYT   H6     27 RU   H1'       4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 889, 856, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   28 CYT   H6     27 RU   H3'       4.0
 &rst
  ixpk= 0, nxpk= 0, iat= 889, 869, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   29 CYT   H6     29 CYT  H1'       4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 920, 917, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   29 CYT   H6     29 CYT  H2'       4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 920, 933, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   29 CYT   H6     29 CYT  H3'       3.5
 &rst
  ixpk= 0, nxpk= 0, iat= 920, 931, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   29 CYT   H6     29 CYT  H4'       5.0
 &rst
  ixpk= 0, nxpk= 0, iat= 920, 914, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   29 CYT   H5     29 CYT  H3'       5.0
 &rst
  ixpk= 0, nxpk= 0, iat= 922, 931, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   29 CYT   H1'    29 CYT  H2'       3.0
 &rst
  ixpk= 0, nxpk= 0, iat= 917, 933, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   29 CYT   H1'    29 CYT  H3'       4.0
 &rst
  ixpk= 0, nxpk= 0, iat= 917, 931, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   29 CYT   H1'    29 CYT  H4'       4.0
 &rst
  ixpk= 0, nxpk= 0, iat= 917, 914, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   29 CYT   H6     28 CYT  H1'       4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 920, 886, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   30 CYT   H6     30 CYT  H1'       4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 951, 948, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   30 CYT   H6     30 CYT  H2'       4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 951, 964, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   30 CYT   H6     30 CYT  H3'       3.5
 &rst
  ixpk= 0, nxpk= 0, iat= 951, 962, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   30 CYT   H6     30 CYT  H4'       5.0
 &rst
  ixpk= 0, nxpk= 0, iat= 951, 945, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   30 CYT   H5     30 CYT  H3'       5.0
 &rst
  ixpk= 0, nxpk= 0, iat= 953, 962, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   30 CYT   H1'    30 CYT  H2'       3.0
 &rst
  ixpk= 0, nxpk= 0, iat= 948, 964, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   30 CYT   H1'    30 CYT  H3'       4.0
 &rst
  ixpk= 0, nxpk= 0, iat= 948, 962, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   30 CYT   H1'    30 CYT  H4'       4.0
 &rst
  ixpk= 0, nxpk= 0, iat= 948, 945, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   30 CYT   H6     29 CYT  H1'       4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 951, 917, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   30 CYT   H6     29 CYT  H2'       2.4
 &rst
  ixpk= 0, nxpk= 0, iat= 951, 933, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90,  &end
#
#   30 CYT   H6     29 CYT  H3'       3.5
 &rst
  ixpk= 0, nxpk= 0, iat= 951, 931, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   30 CYT   H5     29 CYT  H2'       5.0
 &rst
  ixpk= 0, nxpk= 0, iat= 953, 933, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   30 CYT   H5     29 CYT  H3'       5.0
 &rst
  ixpk= 0, nxpk= 0, iat= 953, 931, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   30 CYT   H1'    29 CYT  H2'       5.0
 &rst
  ixpk= 0, nxpk= 0, iat= 948, 933, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   30 CYT   H1'    29 CYT  H3'       6.5
 &rst
  ixpk= 0, nxpk= 0, iat= 948, 931, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,  &end
#
#   30 CYT   H6     31 ADE  H8        5.0
 &rst
  ixpk= 0, nxpk= 0, iat= 951, 982, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   30 CYT   H5     31 ADE  H8        6.0
 &rst
  ixpk= 0, nxpk= 0, iat= 953, 982, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   30 CYT   H1'    31 ADE  H1'       5.0
 &rst
  ixpk= 0, nxpk= 0, iat= 948, 979, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   31 ADE   H2     32 CYT  H1'       3.5
 &rst
  ixpk= 0, nxpk= 0, iat= 991,1012, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   31 ADE   H2     13 GUA  H1'       3.5
 &rst
  ixpk= 0, nxpk= 0, iat= 991, 404, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   31 ADE   H8     31 ADE  H1'       4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 982, 979, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   31 ADE   H8     31 ADE  H2'       4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 982, 997, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   31 ADE   H8     31 ADE  H3'       3.5
 &rst
  ixpk= 0, nxpk= 0, iat= 982, 995, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   31 ADE   H8     31 ADE  H4'       5.0
 &rst
  ixpk= 0, nxpk= 0, iat= 982, 976, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   31 ADE   H8     31 ADE  Q5'       5.0
 &rst
  ixpk= 0, nxpk= 0, iat= 982,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 973, 974,
 &end
#
#   31 ADE   H1'    31 ADE  H2'       3.0
 &rst
  ixpk= 0, nxpk= 0, iat= 979, 997, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   31 ADE   H1'    31 ADE  H3'       4.0
 &rst
  ixpk= 0, nxpk= 0, iat= 979, 995, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   31 ADE   H1'    31 ADE  H4'       4.0
 &rst
  ixpk= 0, nxpk= 0, iat= 979, 976, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   31 ADE   H1'    31 ADE  H5'       6.0
 &rst
  ixpk= 0, nxpk= 0, iat= 979, 973, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   31 ADE   H8     30 CYT  H1'       4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 982, 948, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   31 ADE   H8     30 CYT  H2'       2.4
 &rst
  ixpk= 0, nxpk= 0, iat= 982, 964, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90,  &end
#
#   31 ADE   H8     30 CYT  H3'       3.5
 &rst
  ixpk= 0, nxpk= 0, iat= 982, 962, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   31 ADE   H8     30 CYT  H4'       6.0
 &rst
  ixpk= 0, nxpk= 0, iat= 982, 945, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   31 ADE   H1'    30 CYT  H2'       5.0
 &rst
  ixpk= 0, nxpk= 0, iat= 979, 964, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   31 ADE   H1'    30 CYT  H3'       6.5
 &rst
  ixpk= 0, nxpk= 0, iat= 979, 962, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,  &end
#
#   31 ADE   H8     32 CYT  H6        5.0
 &rst
  ixpk= 0, nxpk= 0, iat= 982,1015, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   31 ADE   H8     32 CYT  H5        5.0
 &rst
  ixpk= 0, nxpk= 0, iat= 982,1017, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   31 ADE   H1'    32 CYT  H1'       5.0
 &rst
  ixpk= 0, nxpk= 0, iat= 979,1012, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   32 CYT   H6     32 CYT  H1'       4.5
 &rst
  ixpk= 0, nxpk= 0, iat=1015,1012, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   32 CYT   H6     32 CYT  H2'       4.5
 &rst
  ixpk= 0, nxpk= 0, iat=1015,1028, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   32 CYT   H6     32 CYT  H3'       3.5
 &rst
  ixpk= 0, nxpk= 0, iat=1015,1026, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   32 CYT   H6     32 CYT  H4'       5.0
 &rst
  ixpk= 0, nxpk= 0, iat=1015,1009, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   32 CYT   H6     32 CYT  Q5'       5.0
 &rst
  ixpk= 0, nxpk= 0, iat=1015,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=1006,1007,
 &end
#
#   32 CYT   H5     32 CYT  H3'       5.0
 &rst
  ixpk= 0, nxpk= 0, iat=1017,1026, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   32 CYT   H1'    32 CYT  H2'       3.0
 &rst
  ixpk= 0, nxpk= 0, iat=1012,1028, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   32 CYT   H1'    32 CYT  H3'       4.0
 &rst
  ixpk= 0, nxpk= 0, iat=1012,1026, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   32 CYT   H1'    32 CYT  H4'       4.0
 &rst
  ixpk= 0, nxpk= 0, iat=1012,1009, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   32 CYT   H1'    32 CYT  Q5'       6.0
 &rst
  ixpk= 0, nxpk= 0, iat=1012,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2=1006,1007,
 &end
#
#   32 CYT   H6     31 ADE  H1'       4.5
 &rst
  ixpk= 0, nxpk= 0, iat=1015, 979, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   32 CYT   H6     31 ADE  H2'       2.4
 &rst
  ixpk= 0, nxpk= 0, iat=1015, 997, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90,  &end
#
#   32 CYT   H6     31 ADE  H3'       3.5
 &rst
  ixpk= 0, nxpk= 0, iat=1015, 995, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   32 CYT   H6     31 ADE  H4'       6.0
 &rst
  ixpk= 0, nxpk= 0, iat=1015, 976, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   32 CYT   H5     31 ADE  H2'       4.0
 &rst
  ixpk= 0, nxpk= 0, iat=1017, 997, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   32 CYT   H5     31 ADE  H3'       5.0
 &rst
  ixpk= 0, nxpk= 0, iat=1017, 995, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   32 CYT   H5     33 CYT  H5        5.0
 &rst
  ixpk= 0, nxpk= 0, iat=1017,1048, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   33 CYT   H6     33 CYT  H1'       4.5
 &rst
  ixpk= 0, nxpk= 0, iat=1046,1043, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   33 CYT   H6     33 CYT  H2'       4.5
 &rst
  ixpk= 0, nxpk= 0, iat=1046,1059, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   33 CYT   H6     33 CYT  H3'       3.5
 &rst
  ixpk= 0, nxpk= 0, iat=1046,1057, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   33 CYT   H6     33 CYT  H4'       5.0
 &rst
  ixpk= 0, nxpk= 0, iat=1046,1040, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   33 CYT   H5     33 CYT  H3'       5.0
 &rst
  ixpk= 0, nxpk= 0, iat=1048,1057, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   33 CYT   H1'    33 CYT  H2'       3.0
 &rst
  ixpk= 0, nxpk= 0, iat=1043,1059, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   33 CYT   H1'    33 CYT  H3'       4.0
 &rst
  ixpk= 0, nxpk= 0, iat=1043,1057, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   33 CYT   H1'    33 CYT  H4'       4.0
 &rst
  ixpk= 0, nxpk= 0, iat=1043,1040, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   33 CYT   H6     32 CYT  H1'       4.5
 &rst
  ixpk= 0, nxpk= 0, iat=1046,1012, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   33 CYT   H6     32 CYT  H2'       2.4
 &rst
  ixpk= 0, nxpk= 0, iat=1046,1028, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90,  &end
#
#   33 CYT   H6     32 CYT  H3'       3.5
 &rst
  ixpk= 0, nxpk= 0, iat=1046,1026, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   33 CYT   H6     32 CYT  H4'       6.0
 &rst
  ixpk= 0, nxpk= 0, iat=1046,1009, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   33 CYT   H6     32 CYT  H1'       4.5
 &rst
  ixpk= 0, nxpk= 0, iat=1046,1012, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   33 CYT   H5     32 CYT  H2'       5.0
 &rst
  ixpk= 0, nxpk= 0, iat=1048,1028, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   33 CYT   H5     32 CYT  H3'       5.0
 &rst
  ixpk= 0, nxpk= 0, iat=1048,1026, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   33 CYT   H1'    32 CYT  H2'       5.0
 &rst
  ixpk= 0, nxpk= 0, iat=1043,1028, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   33 CYT   H6     34 RU   H5        5.0
 &rst
  ixpk= 0, nxpk= 0, iat=1046,1079, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   33 CYT   H5     34 RU   H5        5.0
 &rst
  ixpk= 0, nxpk= 0, iat=1048,1079, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   33 CYT   H6     34 RU   H6        5.0
 &rst
  ixpk= 0, nxpk= 0, iat=1046,1077, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   34 RU    H6     34 RU   H1'       4.5
 &rst
  ixpk= 0, nxpk= 0, iat=1077,1074, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   34 RU    H6     34 RU   H2'       4.5
 &rst
  ixpk= 0, nxpk= 0, iat=1077,1089, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   34 RU    H6     34 RU   H3'       3.5
 &rst
  ixpk= 0, nxpk= 0, iat=1077,1087, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   34 RU    H6     34 RU   H4'       5.0
 &rst
  ixpk= 0, nxpk= 0, iat=1077,1071, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   34 RU    H6     34 RU   Q5'       5.0
 &rst
  ixpk= 0, nxpk= 0, iat=1077,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=1068,1069,
 &end
#
#   34 RU    H5     34 RU   H3'       5.0
 &rst
  ixpk= 0, nxpk= 0, iat=1079,1087, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   34 RU    H1'    34 RU   H2'       3.0
 &rst
  ixpk= 0, nxpk= 0, iat=1074,1089, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   34 RU    H1'    34 RU   H3'       4.0
 &rst
  ixpk= 0, nxpk= 0, iat=1074,1087, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   34 RU    H1'    34 RU   H4'       4.0
 &rst
  ixpk= 0, nxpk= 0, iat=1074,1071, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   34 RU    H1'    34 RU   Q5'       6.0
 &rst
  ixpk= 0, nxpk= 0, iat=1074,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2=1068,1069,
 &end
#
#   34 RU    H6     33 CYT  H1'       4.5
 &rst
  ixpk= 0, nxpk= 0, iat=1077,1043, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   34 RU    H6     33 CYT  H2'       2.4
 &rst
  ixpk= 0, nxpk= 0, iat=1077,1059, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90,  &end
#
#   34 RU    H6     33 CYT  H3'       3.5
 &rst
  ixpk= 0, nxpk= 0, iat=1077,1057, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   34 RU    H5     33 CYT  H2'       5.0
 &rst
  ixpk= 0, nxpk= 0, iat=1079,1059, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   34 RU    H5     33 CYT  H3'       5.0
 &rst
  ixpk= 0, nxpk= 0, iat=1079,1057, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   34 RU    H1'    33 CYT  H2'       5.0
 &rst
  ixpk= 0, nxpk= 0, iat=1074,1059, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   34 RU    H1'    33 CYT  H3'       6.5
 &rst
  ixpk= 0, nxpk= 0, iat=1074,1057, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,  &end
#
#   34 RU    H6     35 ADE  H8        5.0
 &rst
  ixpk= 0, nxpk= 0, iat=1077,1107, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   34 RU    H1'    35 ADE  H1'       5.0
 &rst
  ixpk= 0, nxpk= 0, iat=1074,1104, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   35 ADE   H2     36 CYT  H1'       3.5
 &rst
  ixpk= 0, nxpk= 0, iat=1116,1137, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   35 ADE   H2      9 GUA  H1'       3.5
 &rst
  ixpk= 0, nxpk= 0, iat=1116, 272, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   35 ADE   H8     35 ADE  H1'       4.5
 &rst
  ixpk= 0, nxpk= 0, iat=1107,1104, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   35 ADE   H8     35 ADE  H2'       4.5
 &rst
  ixpk= 0, nxpk= 0, iat=1107,1122, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   35 ADE   H8     35 ADE  H3'       3.5
 &rst
  ixpk= 0, nxpk= 0, iat=1107,1120, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   35 ADE   H8     35 ADE  H4'       5.0
 &rst
  ixpk= 0, nxpk= 0, iat=1107,1101, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   35 ADE   H8     35 ADE  Q5'       5.0
 &rst
  ixpk= 0, nxpk= 0, iat=1107,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=1098,1099,
 &end
#
#   35 ADE   H1'    35 ADE  H2'       3.0
 &rst
  ixpk= 0, nxpk= 0, iat=1104,1122, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   35 ADE   H1'    35 ADE  H3'       4.0
 &rst
  ixpk= 0, nxpk= 0, iat=1104,1120, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   35 ADE   H1'    35 ADE  H4'       4.0
 &rst
  ixpk= 0, nxpk= 0, iat=1104,1101, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   35 ADE   H1'    35 ADE  Q5'       6.0
 &rst
  ixpk= 0, nxpk= 0, iat=1104,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2=1098,1099,
 &end
#
#   35 ADE   H8     34 RU   H1'       4.5
 &rst
  ixpk= 0, nxpk= 0, iat=1107,1074, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   35 ADE   H8     34 RU   H2'       2.4
 &rst
  ixpk= 0, nxpk= 0, iat=1107,1089, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90,  &end
#
#   35 ADE   H8     34 RU   H3'       3.5
 &rst
  ixpk= 0, nxpk= 0, iat=1107,1087, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   35 ADE   H8     34 RU   H4'       6.0
 &rst
  ixpk= 0, nxpk= 0, iat=1107,1071, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   35 ADE   H1'    34 RU   H2'       5.0
 &rst
  ixpk= 0, nxpk= 0, iat=1104,1089, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   35 ADE   H8     36 CYT  H6        5.0
 &rst
  ixpk= 0, nxpk= 0, iat=1107,1140, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   35 ADE   H8     36 CYT  H5        6.0
 &rst
  ixpk= 0, nxpk= 0, iat=1107,1142, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   35 ADE   H1'    36 CYT  H1'       5.0
 &rst
  ixpk= 0, nxpk= 0, iat=1104,1137, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   36 CYT   H6     36 CYT  H1'       4.5
 &rst
  ixpk= 0, nxpk= 0, iat=1140,1137, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   36 CYT   H6     36 CYT  H2'       4.5
 &rst
  ixpk= 0, nxpk= 0, iat=1140,1153, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   36 CYT   H6     36 CYT  H3'       3.5
 &rst
  ixpk= 0, nxpk= 0, iat=1140,1151, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   36 CYT   H6     36 CYT  H4'       5.0
 &rst
  ixpk= 0, nxpk= 0, iat=1140,1134, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   36 CYT   H6     36 CYT  Q5'       5.0
 &rst
  ixpk= 0, nxpk= 0, iat=1140,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=1131,1132,
 &end
#
#   36 CYT   H5     36 CYT  H3'       5.0
 &rst
  ixpk= 0, nxpk= 0, iat=1142,1151, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   36 CYT   H1'    36 CYT  H2'       3.0
 &rst
  ixpk= 0, nxpk= 0, iat=1137,1153, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   36 CYT   H1'    36 CYT  H3'       4.0
 &rst
  ixpk= 0, nxpk= 0, iat=1137,1151, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   36 CYT   H1'    36 CYT  H4'       4.0
 &rst
  ixpk= 0, nxpk= 0, iat=1137,1134, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   36 CYT   H1'    36 CYT  Q5'       6.0
 &rst
  ixpk= 0, nxpk= 0, iat=1137,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2=1131,1132,
 &end
#
#   36 CYT   H6     35 ADE  H1'       4.5
 &rst
  ixpk= 0, nxpk= 0, iat=1140,1104, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   36 CYT   H6     35 ADE  H2'       2.5
 &rst
  ixpk= 0, nxpk= 0, iat=1140,1122, r1= 1.30, r2= 1.80, r3= 2.50, r4= 3.00,  &end
#
#   36 CYT   H6     35 ADE  H3'       3.5
 &rst
  ixpk= 0, nxpk= 0, iat=1140,1120, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   36 CYT   H6     35 ADE  H4'       6.0
 &rst
  ixpk= 0, nxpk= 0, iat=1140,1101, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   36 CYT   H5     35 ADE  H2'       5.0
 &rst
  ixpk= 0, nxpk= 0, iat=1142,1122, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   36 CYT   H5     35 ADE  H3'       5.0
 &rst
  ixpk= 0, nxpk= 0, iat=1142,1120, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   36 CYT   H1'    35 ADE  H2'       5.0
 &rst
  ixpk= 0, nxpk= 0, iat=1137,1122, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   36 CYT   H6     37 CYT  H5        5.0
 &rst
  ixpk= 0, nxpk= 0, iat=1140,1173, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   36 CYT   H5     37 CYT  H5        5.0
 &rst
  ixpk= 0, nxpk= 0, iat=1142,1173, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   36 CYT   H5     37 CYT  H6        6.0
 &rst
  ixpk= 0, nxpk= 0, iat=1142,1171, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   37 CYT   H6     37 CYT  H1'       4.5
 &rst
  ixpk= 0, nxpk= 0, iat=1171,1168, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   37 CYT   H6     37 CYT  H2'       4.5
 &rst
  ixpk= 0, nxpk= 0, iat=1171,1184, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   37 CYT   H6     37 CYT  H3'       3.5
 &rst
  ixpk= 0, nxpk= 0, iat=1171,1182, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   37 CYT   H6     37 CYT  H4'       5.0
 &rst
  ixpk= 0, nxpk= 0, iat=1171,1165, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   37 CYT   H5     37 CYT  H3'       5.0
 &rst
  ixpk= 0, nxpk= 0, iat=1173,1182, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   37 CYT   H1'    37 CYT  H2'       3.0
 &rst
  ixpk= 0, nxpk= 0, iat=1168,1184, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   37 CYT   H1'    37 CYT  H3'       4.0
 &rst
  ixpk= 0, nxpk= 0, iat=1168,1182, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   37 CYT   H1'    37 CYT  H4'       4.0
 &rst
  ixpk= 0, nxpk= 0, iat=1168,1165, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   37 CYT   H6     36 CYT  H1'       4.5
 &rst
  ixpk= 0, nxpk= 0, iat=1171,1137, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   37 CYT   H6     36 CYT  H2'       2.4
 &rst
  ixpk= 0, nxpk= 0, iat=1171,1153, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90,  &end
#
#   37 CYT   H6     36 CYT  H3'       3.5
 &rst
  ixpk= 0, nxpk= 0, iat=1171,1151, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   37 CYT   H5     36 CYT  H2'       5.0
 &rst
  ixpk= 0, nxpk= 0, iat=1173,1153, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   37 CYT   H5     36 CYT  H3'       5.0
 &rst
  ixpk= 0, nxpk= 0, iat=1173,1151, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   37 CYT   H1'    36 CYT  H2'       5.0
 &rst
  ixpk= 0, nxpk= 0, iat=1168,1153, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   37 CYT   H1'    36 CYT  H3'       6.5
 &rst
  ixpk= 0, nxpk= 0, iat=1168,1151, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,  &end
#
#   38 CYT   H6     38 CYT  H1'       5.0
 &rst
  ixpk= 0, nxpk= 0, iat=1202,1199, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   38 CYT   H6     38 CYT  H2'       5.0
 &rst
  ixpk= 0, nxpk= 0, iat=1202,1215, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   38 CYT   H6     38 CYT  H3'       4.0
 &rst
  ixpk= 0, nxpk= 0, iat=1202,1213, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   38 CYT   H6     38 CYT  H4'       5.0
 &rst
  ixpk= 0, nxpk= 0, iat=1202,1196, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   38 CYT   H1'    38 CYT  H2'       3.0
 &rst
  ixpk= 0, nxpk= 0, iat=1199,1215, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   38 CYT   H1'    38 CYT  H3'       4.0
 &rst
  ixpk= 0, nxpk= 0, iat=1199,1213, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   38 CYT   H1'    38 CYT  H4'       4.0
 &rst
  ixpk= 0, nxpk= 0, iat=1199,1196, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   38 CYT   H6     37 CYT  H1'       6.0
 &rst
  ixpk= 0, nxpk= 0, iat=1202,1168, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   38 CYT   H6     37 CYT  H2'       3.5
 &rst
  ixpk= 0, nxpk= 0, iat=1202,1184, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   38 CYT   H6     37 CYT  H3'       4.0
 &rst
  ixpk= 0, nxpk= 0, iat=1202,1182, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   38 CYT   H5     37 CYT  H2'       4.0
 &rst
  ixpk= 0, nxpk= 0, iat=1204,1184, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   38 CYT   H5     37 CYT  H3'       5.0
 &rst
  ixpk= 0, nxpk= 0, iat=1204,1182, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   39 RU    H6     39 RU   H1'       4.5
 &rst
  ixpk= 0, nxpk= 0, iat=1233,1230, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   39 RU    H6     39 RU   H2'       4.5
 &rst
  ixpk= 0, nxpk= 0, iat=1233,1245, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   39 RU    H6     39 RU   H3'       3.5
 &rst
  ixpk= 0, nxpk= 0, iat=1233,1243, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   39 RU    H6     39 RU   H4'       5.0
 &rst
  ixpk= 0, nxpk= 0, iat=1233,1227, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   39 RU    H6     39 RU   Q5'       5.0
 &rst
  ixpk= 0, nxpk= 0, iat=1233,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=1224,1225,
 &end
#
#   39 RU    H5     39 RU   H3'       5.0
 &rst
  ixpk= 0, nxpk= 0, iat=1235,1243, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   39 RU    H1'    39 RU   H2'       3.0
 &rst
  ixpk= 0, nxpk= 0, iat=1230,1245, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   39 RU    H1'    39 RU   H3'       4.0
 &rst
  ixpk= 0, nxpk= 0, iat=1230,1243, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   39 RU    H1'    39 RU   H4'       4.0
 &rst
  ixpk= 0, nxpk= 0, iat=1230,1227, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   39 RU    H1'    39 RU   Q5'       6.0
 &rst
  ixpk= 0, nxpk= 0, iat=1230,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2=1224,1225,
 &end
#
#   39 RU    H6     38 CYT  H1'       5.0
 &rst
  ixpk= 0, nxpk= 0, iat=1233,1199, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   39 RU    H6     38 CYT  H2'       3.5
 &rst
  ixpk= 0, nxpk= 0, iat=1233,1215, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   39 RU    H6     38 CYT  H3'       4.0
 &rst
  ixpk= 0, nxpk= 0, iat=1233,1213, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   39 RU    H5     38 CYT  H2'       5.0
 &rst
  ixpk= 0, nxpk= 0, iat=1235,1215, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   39 RU    H5     38 CYT  H3'       5.0
 &rst
  ixpk= 0, nxpk= 0, iat=1235,1213, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   39 RU    H5     40 GUA  H8        5.0
 &rst
  ixpk= 0, nxpk= 0, iat=1235,1263, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   40 GUA   H8     40 GUA  H1'       4.5
 &rst
  ixpk= 0, nxpk= 0, iat=1263,1260, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   40 GUA   H8     40 GUA  H2'       4.5
 &rst
  ixpk= 0, nxpk= 0, iat=1263,1279, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   40 GUA   H8     40 GUA  H3'       3.5
 &rst
  ixpk= 0, nxpk= 0, iat=1263,1277, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   40 GUA   H8     40 GUA  H4'       5.0
 &rst
  ixpk= 0, nxpk= 0, iat=1263,1257, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   40 GUA   H1'    40 GUA  H2'       3.0
 &rst
  ixpk= 0, nxpk= 0, iat=1260,1279, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   40 GUA   H1'    40 GUA  H3'       4.0
 &rst
  ixpk= 0, nxpk= 0, iat=1260,1277, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   40 GUA   H8     39 RU   H1'       4.5
 &rst
  ixpk= 0, nxpk= 0, iat=1263,1230, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   40 GUA   H8     39 RU   H2'       2.4
 &rst
  ixpk= 0, nxpk= 0, iat=1263,1245, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90,  &end
#
#   40 GUA   H8     39 RU   H3'       3.5
 &rst
  ixpk= 0, nxpk= 0, iat=1263,1243, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   40 GUA   H1'    39 RU   H2'       5.0
 &rst
  ixpk= 0, nxpk= 0, iat=1260,1245, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   41 CYT   H6     41 CYT  H1'       4.5
 &rst
  ixpk= 0, nxpk= 0, iat=1297,1294, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   41 CYT   H6     41 CYT  H2'       4.5
 &rst
  ixpk= 0, nxpk= 0, iat=1297,1310, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   41 CYT   H6     41 CYT  H3'       3.5
 &rst
  ixpk= 0, nxpk= 0, iat=1297,1308, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   41 CYT   H5     41 CYT  H3'       5.0
 &rst
  ixpk= 0, nxpk= 0, iat=1299,1308, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   41 CYT   H1'    41 CYT  H2'       3.0
 &rst
  ixpk= 0, nxpk= 0, iat=1294,1310, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   41 CYT   H1'    41 CYT  H3'       4.0
 &rst
  ixpk= 0, nxpk= 0, iat=1294,1308, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   41 CYT   H6     40 GUA  H1'       4.5
 &rst
  ixpk= 0, nxpk= 0, iat=1297,1260, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   41 CYT   H6     40 GUA  H2'       2.4
 &rst
  ixpk= 0, nxpk= 0, iat=1297,1279, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90,  &end
#
#   41 CYT   H6     40 GUA  H3'       3.5
 &rst
  ixpk= 0, nxpk= 0, iat=1297,1277, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   41 CYT   H5     40 GUA  H2'       5.0
 &rst
  ixpk= 0, nxpk= 0, iat=1299,1279, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   41 CYT   H5     40 GUA  H3'       5.0
 &rst
  ixpk= 0, nxpk= 0, iat=1299,1277, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   41 CYT   H1'    40 GUA  H2'       5.0
 &rst
  ixpk= 0, nxpk= 0, iat=1294,1279, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   41 CYT   H5     42 CYT  H5        6.0
 &rst
  ixpk= 0, nxpk= 0, iat=1299,1330, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   41 CYT   H6     42 CYT  H6        5.0
 &rst
  ixpk= 0, nxpk= 0, iat=1297,1328, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   41 CYT   H1'    42 CYT  H1'       5.0
 &rst
  ixpk= 0, nxpk= 0, iat=1294,1325, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   42 CYT   H6     42 CYT  H1'       4.5
 &rst
  ixpk= 0, nxpk= 0, iat=1328,1325, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   42 CYT   H6     42 CYT  H2'       4.5
 &rst
  ixpk= 0, nxpk= 0, iat=1328,1341, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   42 CYT   H6     42 CYT  H3'       3.5
 &rst
  ixpk= 0, nxpk= 0, iat=1328,1339, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   42 CYT   H6     42 CYT  H4'       5.0
 &rst
  ixpk= 0, nxpk= 0, iat=1328,1322, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   42 CYT   H6     42 CYT  Q5'       5.0
 &rst
  ixpk= 0, nxpk= 0, iat=1328,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=1319,1320,
 &end
#
#   42 CYT   H5     42 CYT  H3'       5.0
 &rst
  ixpk= 0, nxpk= 0, iat=1330,1339, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   42 CYT   H1'    42 CYT  H2'       3.0
 &rst
  ixpk= 0, nxpk= 0, iat=1325,1341, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   42 CYT   H1'    42 CYT  H3'       4.0
 &rst
  ixpk= 0, nxpk= 0, iat=1325,1339, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   42 CYT   H1'    42 CYT  H4'       4.0
 &rst
  ixpk= 0, nxpk= 0, iat=1325,1322, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   42 CYT   H1'    42 CYT  Q5'       6.0
 &rst
  ixpk= 0, nxpk= 0, iat=1325,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2=1319,1320,
 &end
#
#   42 CYT   H6     41 CYT  H1'       4.5
 &rst
  ixpk= 0, nxpk= 0, iat=1328,1294, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   42 CYT   H6     41 CYT  H2'       2.4
 &rst
  ixpk= 0, nxpk= 0, iat=1328,1310, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90,  &end
#
#   42 CYT   H6     41 CYT  H3'       3.5
 &rst
  ixpk= 0, nxpk= 0, iat=1328,1308, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   42 CYT   H6     41 CYT  H4'       5.0
 &rst
  ixpk= 0, nxpk= 0, iat=1328,1291, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   42 CYT   H5     41 CYT  H2'       5.0
 &rst
  ixpk= 0, nxpk= 0, iat=1330,1310, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   42 CYT   H5     41 CYT  H3'       5.0
 &rst
  ixpk= 0, nxpk= 0, iat=1330,1308, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   42 CYT   H1'    41 CYT  H2'       5.0
 &rst
  ixpk= 0, nxpk= 0, iat=1325,1310, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   42 CYT   H1'    41 CYT  H3'       6.0
 &rst
  ixpk= 0, nxpk= 0, iat=1325,1308, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#    2 GUA   H1      3 RU   H1'       5.0
 &rst
  ixpk= 0, nxpk= 0, iat=  53,  78, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    2 GUA   H1     40 GUA  H1        5.0
 &rst
  ixpk= 0, nxpk= 0, iat=  53,1269, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    3 RU    H3     40 GUA  H1        3.0
 &rst
  ixpk= 0, nxpk= 0, iat=  87,1269, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#    3 RU    H3     41 CYT  H1'       6.0
 &rst
  ixpk= 0, nxpk= 0, iat=  87,1294, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#    3 RU    H3      4 ADE  H1'       5.0
 &rst
  ixpk= 0, nxpk= 0, iat=  87, 108, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    6 GUA   H1      7 GUA  H1        5.0
 &rst
  ixpk= 0, nxpk= 0, iat= 183, 217, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    6 GUA   H1      7 GUA  H1'       5.0
 &rst
  ixpk= 0, nxpk= 0, iat= 183, 208, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    7 GUA   H1      8 RU   H3        5.0
 &rst
  ixpk= 0, nxpk= 0, iat= 217, 251, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    7 GUA   H1      8 RU   H1'       5.0
 &rst
  ixpk= 0, nxpk= 0, iat= 217, 242, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    7 GUA   H1     37 CYT  H1'       6.0
 &rst
  ixpk= 0, nxpk= 0, iat= 217,1168, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#    8 RU    H3     35 ADE  H2        2.5
 &rst
  ixpk= 0, nxpk= 0, iat= 251,1116, r1= 1.30, r2= 1.80, r3= 2.50, r4= 3.00,  &end
#
#    9 GUA   H1     10 GUA  H1'       5.0
 &rst
  ixpk= 0, nxpk= 0, iat= 281, 306, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    9 GUA   H1     35 ADE  H1'       6.0
 &rst
  ixpk= 0, nxpk= 0, iat= 281,1104, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#    9 GUA   H1     34 RU   H3        3.0
 &rst
  ixpk= 0, nxpk= 0, iat= 281,1083, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   10 GUA   H1     11 GUA  H1        5.0
 &rst
  ixpk= 0, nxpk= 0, iat= 315, 349, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   10 GUA   H1     34 RU   H3        5.0
 &rst
  ixpk= 0, nxpk= 0, iat= 315,1083, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   10 GUA   H1     11 GUA  H1'       5.0
 &rst
  ixpk= 0, nxpk= 0, iat= 315, 340, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   10 GUA   H1     34 RU   H1'       6.0
 &rst
  ixpk= 0, nxpk= 0, iat= 315,1074, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   11 GUA   H1     12 RU   H3        5.0
 &rst
  ixpk= 0, nxpk= 0, iat= 349, 383, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   11 GUA   H1     12 RU   H1'       5.0
 &rst
  ixpk= 0, nxpk= 0, iat= 349, 374, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   11 GUA   H1     33 CYT  H1'       6.0
 &rst
  ixpk= 0, nxpk= 0, iat= 349,1043, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   12 RU    H3     13 GUA  H1        5.0
 &rst
  ixpk= 0, nxpk= 0, iat= 383, 413, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   12 RU    H3     13 GUA  H1'       5.0
 &rst
  ixpk= 0, nxpk= 0, iat= 383, 404, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   12 RU    H3     32 CYT  H1'       6.0
 &rst
  ixpk= 0, nxpk= 0, iat= 383,1012, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   12 RU    H3     31 ADE  H2        2.5
 &rst
  ixpk= 0, nxpk= 0, iat= 383, 991, r1= 1.30, r2= 1.80, r3= 2.50, r4= 3.00,  &end
#
#   13 GUA   H1     14 GUA  H1        5.0
 &rst
  ixpk= 0, nxpk= 0, iat= 413, 447, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   13 GUA   H1     14 GUA  H1'       5.0
 &rst
  ixpk= 0, nxpk= 0, iat= 413, 438, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   13 GUA   H1     31 ADE  H1'       6.0
 &rst
  ixpk= 0, nxpk= 0, iat= 413, 979, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   14 GUA   H1     15 ADE  H1'       5.0
 &rst
  ixpk= 0, nxpk= 0, iat= 447, 472, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   14 GUA   H1     30 CYT  H1'       6.0
 &rst
  ixpk= 0, nxpk= 0, iat= 447, 948, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   17 RU    H3     25 GUA  H1        5.0
 &rst
  ixpk= 0, nxpk= 0, iat= 547, 798, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   17 RU    H3     18 CYT  H1'       5.0
 &rst
  ixpk= 0, nxpk= 0, iat= 547, 568, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   17 RU    H3     27 RU   H1'       6.0
 &rst
  ixpk= 0, nxpk= 0, iat= 547, 856, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   17 RU    H3     26 ADE  H2        2.5
 &rst
  ixpk= 0, nxpk= 0, iat= 547, 835, r1= 1.30, r2= 1.80, r3= 2.50, r4= 3.00,  &end
#
#   23 GUA   H1     24 GUA  H1        6.0
 &rst
  ixpk= 0, nxpk= 0, iat= 730, 764, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   23 GUA   H1     24 GUA  H1'       5.0
 &rst
  ixpk= 0, nxpk= 0, iat= 730, 755, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   23 GUA   H1     20 RU   H1'       3.5
 &rst
  ixpk= 0, nxpk= 0, iat= 730, 630, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   23 GUA   H1     20 RU   H2'       3.5
 &rst
  ixpk= 0, nxpk= 0, iat= 730, 645, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   23 GUA   H1     22 CYT  H1'       5.0
 &rst
  ixpk= 0, nxpk= 0, iat= 730, 690, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   23 GUA   H1     22 CYT  H4'       5.0
 &rst
  ixpk= 0, nxpk= 0, iat= 730, 687, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   24 GUA   H1     25 GUA  H1        5.0
 &rst
  ixpk= 0, nxpk= 0, iat= 764, 798, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   24 GUA   H1     25 GUA  H1'       5.0
 &rst
  ixpk= 0, nxpk= 0, iat= 764, 789, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   24 GUA   H1     20 RU   H1'       6.0
 &rst
  ixpk= 0, nxpk= 0, iat= 764, 630, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   25 GUA   H1     26 ADE  H1'       5.0
 &rst
  ixpk= 0, nxpk= 0, iat= 798, 823, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   25 GUA   H1     19 CYT  H1'       6.0
 &rst
  ixpk= 0, nxpk= 0, iat= 798, 599, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   27 RU    H3     17 RU   H1'       6.0
 &rst
  ixpk= 0, nxpk= 0, iat= 865, 538, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   34 RU    H3     35 ADE  H1'       5.0
 &rst
  ixpk= 0, nxpk= 0, iat=1083,1104, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   34 RU    H3     10 GUA  H1'       6.0
 &rst
  ixpk= 0, nxpk= 0, iat=1083, 306, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   40 GUA   H1     41 CYT  H1'       5.0
 &rst
  ixpk= 0, nxpk= 0, iat=1269,1294, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   40 GUA   H1      4 ADE  H1'       6.0
 &rst
  ixpk= 0, nxpk= 0, iat=1269, 108, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end


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