USER  MOD reduce.3.24.130724 H: found=0, std=0, add=177, rem=0, adj=4
USER  MOD reduce.3.24.130724 removed 177 hydrogens (0 hets)
USER  MOD -----------------------------------------------------------------
USER  MOD scores for adjustable sidechains, with "set" totals for H,N and Q
USER  MOD "o" means original, "f" means flipped, "180deg" is methyl default
USER  MOD "!" flags a clash with an overlap of 0.40A or greater
USER  MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip
USER  MOD Set 1.1: A  14 ASN     :      amide:sc=   0.313  K(o=0.65,f=0)
USER  MOD Set 1.2: A  15 SER OG  :   rot   79:sc=   0.337
USER  MOD Single : A  11 LYS NZ  :NH3+    141:sc=   0.883   (180deg=0.151)
USER  MOD Single : A  12 HIS     :     no HD1:sc=   -1.64  X(o=-1.6,f=-1.7)
USER  MOD Single : A  16 MET CE  :methyl  180:sc=       0   (180deg=0)
USER  MOD Single : A  24 LYS NZ  :NH3+   -146:sc=   0.322   (180deg=0.00224)
USER  MOD Single : A  25 LYS NZ  :NH3+   -140:sc=   0.565   (180deg=-0.306)
USER  MOD Single : A  27 GLN     :      amide:sc=  -0.599  K(o=-0.6,f=-4!)
USER  MOD -----------------------------------------------------------------
ATOM    158  N   LYS A  11      -2.301   7.340   4.605  1.00  0.00           N
ATOM    159  CA  LYS A  11      -3.506   7.463   5.508  1.00  0.00           C
ATOM    160  C   LYS A  11      -4.657   6.553   5.026  1.00  0.00           C
ATOM    161  O   LYS A  11      -5.570   6.265   5.782  1.00  0.00           O
ATOM    162  CB  LYS A  11      -3.970   8.929   5.560  1.00  0.00           C
ATOM    163  CG  LYS A  11      -4.739   9.190   6.863  1.00  0.00           C
ATOM    164  CD  LYS A  11      -6.245   9.278   6.572  1.00  0.00           C
ATOM    165  CE  LYS A  11      -7.041   8.855   7.815  1.00  0.00           C
ATOM    166  NZ  LYS A  11      -7.435   7.417   7.703  1.00  0.00           N
ATOM      0  HA  LYS A  11      -3.221   7.140   6.509  1.00  0.00           H   new
ATOM      0  HB2 LYS A  11      -3.109   9.594   5.497  1.00  0.00           H   new
ATOM      0  HB3 LYS A  11      -4.606   9.149   4.702  1.00  0.00           H   new
ATOM      0  HG2 LYS A  11      -4.544   8.390   7.577  1.00  0.00           H   new
ATOM      0  HG3 LYS A  11      -4.393  10.117   7.320  1.00  0.00           H   new
ATOM      0  HD2 LYS A  11      -6.511  10.296   6.288  1.00  0.00           H   new
ATOM      0  HD3 LYS A  11      -6.500   8.635   5.730  1.00  0.00           H   new
ATOM      0  HE2 LYS A  11      -6.440   9.007   8.711  1.00  0.00           H   new
ATOM      0  HE3 LYS A  11      -7.930   9.478   7.917  1.00  0.00           H   new
ATOM      0  HZ1 LYS A  11      -7.349   6.960   8.633  1.00  0.00           H   new
ATOM      0  HZ2 LYS A  11      -8.420   7.351   7.374  1.00  0.00           H   new
ATOM      0  HZ3 LYS A  11      -6.811   6.938   7.023  1.00  0.00           H   new
ATOM    180  N   HIS A  12      -4.573   6.036   3.815  1.00  0.00           N
ATOM    181  CA  HIS A  12      -5.610   5.066   3.308  1.00  0.00           C
ATOM    182  C   HIS A  12      -5.194   3.614   3.686  1.00  0.00           C
ATOM    183  O   HIS A  12      -5.815   2.653   3.260  1.00  0.00           O
ATOM    184  CB  HIS A  12      -5.778   5.201   1.772  1.00  0.00           C
ATOM    185  CG  HIS A  12      -4.462   4.977   1.050  1.00  0.00           C
ATOM    186  ND1 HIS A  12      -3.881   3.722   0.923  1.00  0.00           N
ATOM    187  CD2 HIS A  12      -3.607   5.847   0.422  1.00  0.00           C
ATOM    188  CE1 HIS A  12      -2.730   3.874   0.245  1.00  0.00           C
ATOM    189  NE2 HIS A  12      -2.516   5.149  -0.085  1.00  0.00           N
ATOM      0  H   HIS A  12      -3.826   6.246   3.152  1.00  0.00           H   new
ATOM      0  HA  HIS A  12      -6.569   5.295   3.774  1.00  0.00           H   new
ATOM      0  HB2 HIS A  12      -6.515   4.479   1.420  1.00  0.00           H   new
ATOM      0  HB3 HIS A  12      -6.162   6.192   1.532  1.00  0.00           H   new
ATOM      0  HD2 HIS A  12      -3.758   6.913   0.335  1.00  0.00           H   new
ATOM      0  HE1 HIS A  12      -2.061   3.063  -0.002  1.00  0.00           H   new
ATOM      0  HE2 HIS A  12      -1.722   5.530  -0.599  1.00  0.00           H   new
ATOM    197  N   LEU A  13      -4.147   3.472   4.485  1.00  0.00           N
ATOM    198  CA  LEU A  13      -3.640   2.148   4.928  1.00  0.00           C
ATOM    199  C   LEU A  13      -3.029   2.317   6.343  1.00  0.00           C
ATOM    200  O   LEU A  13      -2.973   3.427   6.859  1.00  0.00           O
ATOM    201  CB  LEU A  13      -2.601   1.663   3.885  1.00  0.00           C
ATOM    202  CG  LEU A  13      -1.220   2.314   4.061  1.00  0.00           C
ATOM    203  CD1 LEU A  13      -0.345   1.439   4.970  1.00  0.00           C
ATOM    204  CD2 LEU A  13      -0.562   2.426   2.685  1.00  0.00           C
ATOM      0  H   LEU A  13      -3.614   4.260   4.853  1.00  0.00           H   new
ATOM      0  HA  LEU A  13      -4.429   1.398   4.992  1.00  0.00           H   new
ATOM      0  HB2 LEU A  13      -2.498   0.581   3.960  1.00  0.00           H   new
ATOM      0  HB3 LEU A  13      -2.973   1.879   2.883  1.00  0.00           H   new
ATOM      0  HG  LEU A  13      -1.329   3.300   4.513  1.00  0.00           H   new
ATOM      0 HD11 LEU A  13       0.633   1.905   5.092  1.00  0.00           H   new
ATOM      0 HD12 LEU A  13      -0.822   1.336   5.945  1.00  0.00           H   new
ATOM      0 HD13 LEU A  13      -0.224   0.454   4.520  1.00  0.00           H   new
ATOM      0 HD21 LEU A  13       0.421   2.886   2.788  1.00  0.00           H   new
ATOM      0 HD22 LEU A  13      -0.453   1.432   2.252  1.00  0.00           H   new
ATOM      0 HD23 LEU A  13      -1.184   3.040   2.033  1.00  0.00           H   new
ATOM    216  N   ASN A  14      -2.574   1.254   6.985  1.00  0.00           N
ATOM    217  CA  ASN A  14      -1.979   1.422   8.353  1.00  0.00           C
ATOM    218  C   ASN A  14      -1.116   0.202   8.742  1.00  0.00           C
ATOM    219  O   ASN A  14       0.098   0.311   8.779  1.00  0.00           O
ATOM    220  CB  ASN A  14      -3.114   1.682   9.369  1.00  0.00           C
ATOM    221  CG  ASN A  14      -2.557   1.737  10.800  1.00  0.00           C
ATOM    222  OD1 ASN A  14      -2.724   0.805  11.561  1.00  0.00           O
ATOM    223  ND2 ASN A  14      -1.893   2.788  11.200  1.00  0.00           N
ATOM      0  H   ASN A  14      -2.590   0.299   6.626  1.00  0.00           H   new
ATOM      0  HA  ASN A  14      -1.309   2.282   8.355  1.00  0.00           H   new
ATOM      0  HB2 ASN A  14      -3.614   2.621   9.131  1.00  0.00           H   new
ATOM      0  HB3 ASN A  14      -3.863   0.894   9.295  1.00  0.00           H   new
ATOM      0 HD21 ASN A  14      -1.517   2.824  12.148  1.00  0.00           H   new
ATOM      0 HD22 ASN A  14      -1.750   3.573  10.565  1.00  0.00           H   new
ATOM    230  N   SER A  15      -1.716  -0.940   9.043  1.00  0.00           N
ATOM    231  CA  SER A  15      -0.903  -2.146   9.446  1.00  0.00           C
ATOM    232  C   SER A  15      -1.243  -3.340   8.545  1.00  0.00           C
ATOM    233  O   SER A  15      -0.365  -3.908   7.926  1.00  0.00           O
ATOM    234  CB  SER A  15      -1.188  -2.494  10.912  1.00  0.00           C
ATOM    235  OG  SER A  15      -0.676  -1.461  11.749  1.00  0.00           O
ATOM      0  H   SER A  15      -2.725  -1.086   9.027  1.00  0.00           H   new
ATOM      0  HA  SER A  15       0.156  -1.915   9.332  1.00  0.00           H   new
ATOM      0  HB2 SER A  15      -2.261  -2.607  11.069  1.00  0.00           H   new
ATOM      0  HB3 SER A  15      -0.726  -3.448  11.168  1.00  0.00           H   new
ATOM      0  HG  SER A  15      -1.295  -0.702  11.747  1.00  0.00           H   new
ATOM    241  N   MET A  16      -2.512  -3.698   8.430  1.00  0.00           N
ATOM    242  CA  MET A  16      -2.906  -4.828   7.516  1.00  0.00           C
ATOM    243  C   MET A  16      -2.990  -4.328   6.059  1.00  0.00           C
ATOM    244  O   MET A  16      -3.124  -5.117   5.138  1.00  0.00           O
ATOM    245  CB  MET A  16      -4.258  -5.417   7.952  1.00  0.00           C
ATOM    246  CG  MET A  16      -4.140  -6.007   9.361  1.00  0.00           C
ATOM    247  SD  MET A  16      -5.573  -7.059   9.703  1.00  0.00           S
ATOM    248  CE  MET A  16      -5.341  -7.186  11.494  1.00  0.00           C
ATOM      0  H   MET A  16      -3.285  -3.257   8.928  1.00  0.00           H   new
ATOM      0  HA  MET A  16      -2.148  -5.608   7.577  1.00  0.00           H   new
ATOM      0  HB2 MET A  16      -5.024  -4.642   7.936  1.00  0.00           H   new
ATOM      0  HB3 MET A  16      -4.571  -6.190   7.250  1.00  0.00           H   new
ATOM      0  HG2 MET A  16      -3.222  -6.588   9.447  1.00  0.00           H   new
ATOM      0  HG3 MET A  16      -4.081  -5.206  10.098  1.00  0.00           H   new
ATOM      0  HE1 MET A  16      -6.131  -7.804  11.920  1.00  0.00           H   new
ATOM      0  HE2 MET A  16      -4.372  -7.639  11.704  1.00  0.00           H   new
ATOM      0  HE3 MET A  16      -5.380  -6.191  11.937  1.00  0.00           H   new
ATOM    258  N   GLU A  17      -2.867  -3.031   5.856  1.00  0.00           N
ATOM    259  CA  GLU A  17      -2.889  -2.434   4.496  1.00  0.00           C
ATOM    260  C   GLU A  17      -1.491  -1.845   4.187  1.00  0.00           C
ATOM    261  O   GLU A  17      -1.335  -1.064   3.270  1.00  0.00           O
ATOM    262  CB  GLU A  17      -3.978  -1.330   4.424  1.00  0.00           C
ATOM    263  CG  GLU A  17      -5.204  -1.659   5.310  1.00  0.00           C
ATOM    264  CD  GLU A  17      -5.122  -0.870   6.633  1.00  0.00           C
ATOM    265  OE1 GLU A  17      -4.487  -1.352   7.560  1.00  0.00           O
ATOM    266  OE2 GLU A  17      -5.693   0.205   6.695  1.00  0.00           O
ATOM      0  H   GLU A  17      -2.749  -2.351   6.607  1.00  0.00           H   new
ATOM      0  HA  GLU A  17      -3.128  -3.197   3.755  1.00  0.00           H   new
ATOM      0  HB2 GLU A  17      -3.550  -0.378   4.739  1.00  0.00           H   new
ATOM      0  HB3 GLU A  17      -4.301  -1.208   3.390  1.00  0.00           H   new
ATOM      0  HG2 GLU A  17      -6.124  -1.406   4.782  1.00  0.00           H   new
ATOM      0  HG3 GLU A  17      -5.238  -2.729   5.516  1.00  0.00           H   new
ATOM    273  N   ARG A  18      -0.470  -2.240   4.944  1.00  0.00           N
ATOM    274  CA  ARG A  18       0.924  -1.738   4.727  1.00  0.00           C
ATOM    275  C   ARG A  18       1.883  -2.881   4.331  1.00  0.00           C
ATOM    276  O   ARG A  18       2.992  -2.639   3.891  1.00  0.00           O
ATOM    277  CB  ARG A  18       1.390  -1.065   6.034  1.00  0.00           C
ATOM    278  CG  ARG A  18       1.804  -2.087   7.111  1.00  0.00           C
ATOM    279  CD  ARG A  18       3.229  -1.796   7.595  1.00  0.00           C
ATOM    280  NE  ARG A  18       4.215  -2.283   6.580  1.00  0.00           N
ATOM    281  CZ  ARG A  18       5.065  -3.230   6.881  1.00  0.00           C
ATOM    282  NH1 ARG A  18       4.655  -4.474   6.972  1.00  0.00           N
ATOM    283  NH2 ARG A  18       6.327  -2.931   7.074  1.00  0.00           N
ATOM      0  H   ARG A  18      -0.560  -2.902   5.714  1.00  0.00           H   new
ATOM      0  HA  ARG A  18       0.932  -1.023   3.904  1.00  0.00           H   new
ATOM      0  HB2 ARG A  18       2.232  -0.407   5.820  1.00  0.00           H   new
ATOM      0  HB3 ARG A  18       0.587  -0.438   6.422  1.00  0.00           H   new
ATOM      0  HG2 ARG A  18       1.110  -2.043   7.951  1.00  0.00           H   new
ATOM      0  HG3 ARG A  18       1.749  -3.097   6.705  1.00  0.00           H   new
ATOM      0  HD2 ARG A  18       3.357  -0.726   7.757  1.00  0.00           H   new
ATOM      0  HD3 ARG A  18       3.406  -2.286   8.552  1.00  0.00           H   new
ATOM      0  HE  ARG A  18       4.224  -1.873   5.646  1.00  0.00           H   new
ATOM      0 HH11 ARG A  18       3.674  -4.701   6.808  1.00  0.00           H   new
ATOM      0 HH12 ARG A  18       5.317  -5.213   7.207  1.00  0.00           H   new
ATOM      0 HH21 ARG A  18       6.641  -1.964   6.989  1.00  0.00           H   new
ATOM      0 HH22 ARG A  18       6.995  -3.665   7.309  1.00  0.00           H   new
ATOM    297  N   VAL A  19       1.449  -4.105   4.498  1.00  0.00           N
ATOM    298  CA  VAL A  19       2.285  -5.305   4.170  1.00  0.00           C
ATOM    299  C   VAL A  19       2.038  -5.673   2.707  1.00  0.00           C
ATOM    300  O   VAL A  19       2.969  -5.818   1.934  1.00  0.00           O
ATOM    301  CB  VAL A  19       2.003  -6.480   5.183  1.00  0.00           C
ATOM    302  CG1 VAL A  19       1.108  -6.027   6.354  1.00  0.00           C
ATOM    303  CG2 VAL A  19       1.347  -7.704   4.513  1.00  0.00           C
ATOM      0  H   VAL A  19       0.522  -4.330   4.859  1.00  0.00           H   new
ATOM      0  HA  VAL A  19       3.347  -5.086   4.283  1.00  0.00           H   new
ATOM      0  HB  VAL A  19       2.984  -6.771   5.560  1.00  0.00           H   new
ATOM      0 HG11 VAL A  19       0.938  -6.867   7.028  1.00  0.00           H   new
ATOM      0 HG12 VAL A  19       1.600  -5.220   6.897  1.00  0.00           H   new
ATOM      0 HG13 VAL A  19       0.152  -5.674   5.966  1.00  0.00           H   new
ATOM      0 HG21 VAL A  19       1.177  -8.480   5.259  1.00  0.00           H   new
ATOM      0 HG22 VAL A  19       0.395  -7.410   4.072  1.00  0.00           H   new
ATOM      0 HG23 VAL A  19       2.005  -8.088   3.734  1.00  0.00           H   new
ATOM    313  N   GLU A  20       0.793  -5.750   2.323  1.00  0.00           N
ATOM    314  CA  GLU A  20       0.443  -6.021   0.884  1.00  0.00           C
ATOM    315  C   GLU A  20       0.692  -4.745   0.042  1.00  0.00           C
ATOM    316  O   GLU A  20       0.886  -4.812  -1.162  1.00  0.00           O
ATOM    317  CB  GLU A  20      -1.025  -6.467   0.750  1.00  0.00           C
ATOM    318  CG  GLU A  20      -1.098  -7.848   0.071  1.00  0.00           C
ATOM    319  CD  GLU A  20      -0.466  -7.796  -1.331  1.00  0.00           C
ATOM    320  OE1 GLU A  20      -1.082  -7.238  -2.225  1.00  0.00           O
ATOM    321  OE2 GLU A  20       0.628  -8.314  -1.483  1.00  0.00           O
ATOM      0  H   GLU A  20      -0.008  -5.637   2.944  1.00  0.00           H   new
ATOM      0  HA  GLU A  20       1.076  -6.829   0.516  1.00  0.00           H   new
ATOM      0  HB2 GLU A  20      -1.491  -6.512   1.734  1.00  0.00           H   new
ATOM      0  HB3 GLU A  20      -1.584  -5.736   0.166  1.00  0.00           H   new
ATOM      0  HG2 GLU A  20      -0.580  -8.587   0.682  1.00  0.00           H   new
ATOM      0  HG3 GLU A  20      -2.137  -8.168  -0.004  1.00  0.00           H   new
ATOM    328  N   TRP A  21       0.734  -3.600   0.699  1.00  0.00           N
ATOM    329  CA  TRP A  21       1.015  -2.290   0.032  1.00  0.00           C
ATOM    330  C   TRP A  21       2.493  -2.267  -0.347  1.00  0.00           C
ATOM    331  O   TRP A  21       2.825  -2.235  -1.516  1.00  0.00           O
ATOM    332  CB  TRP A  21       0.726  -1.174   1.038  1.00  0.00           C
ATOM    333  CG  TRP A  21       0.892   0.161   0.403  1.00  0.00           C
ATOM    334  CD1 TRP A  21       0.012   0.731  -0.432  1.00  0.00           C
ATOM    335  CD2 TRP A  21       1.996   1.086   0.540  1.00  0.00           C
ATOM    336  NE1 TRP A  21       0.494   1.970  -0.813  1.00  0.00           N
ATOM    337  CE2 TRP A  21       1.722   2.232  -0.238  1.00  0.00           C
ATOM    338  CE3 TRP A  21       3.195   1.039   1.264  1.00  0.00           C
ATOM    339  CZ2 TRP A  21       2.614   3.301  -0.294  1.00  0.00           C
ATOM    340  CZ3 TRP A  21       4.092   2.111   1.211  1.00  0.00           C
ATOM    341  CH2 TRP A  21       3.804   3.242   0.434  1.00  0.00           C
ATOM      0  H   TRP A  21       0.579  -3.525   1.704  1.00  0.00           H   new
ATOM      0  HA  TRP A  21       0.399  -2.154  -0.857  1.00  0.00           H   new
ATOM      0  HB2 TRP A  21      -0.289  -1.277   1.421  1.00  0.00           H   new
ATOM      0  HB3 TRP A  21       1.399  -1.263   1.891  1.00  0.00           H   new
ATOM      0  HD1 TRP A  21      -0.921   0.294  -0.755  1.00  0.00           H   new
ATOM      0  HE1 TRP A  21       0.005   2.609  -1.439  1.00  0.00           H   new
ATOM      0  HE3 TRP A  21       3.427   0.172   1.865  1.00  0.00           H   new
ATOM      0  HZ2 TRP A  21       2.387   4.168  -0.896  1.00  0.00           H   new
ATOM      0  HZ3 TRP A  21       5.013   2.067   1.773  1.00  0.00           H   new
ATOM      0  HH2 TRP A  21       4.501   4.066   0.399  1.00  0.00           H   new
ATOM    352  N   LEU A  22       3.369  -2.327   0.653  1.00  0.00           N
ATOM    353  CA  LEU A  22       4.854  -2.362   0.400  1.00  0.00           C
ATOM    354  C   LEU A  22       5.195  -3.544  -0.547  1.00  0.00           C
ATOM    355  O   LEU A  22       6.186  -3.496  -1.257  1.00  0.00           O
ATOM    356  CB  LEU A  22       5.625  -2.483   1.744  1.00  0.00           C
ATOM    357  CG  LEU A  22       5.589  -3.918   2.320  1.00  0.00           C
ATOM    358  CD1 LEU A  22       6.703  -4.780   1.699  1.00  0.00           C
ATOM    359  CD2 LEU A  22       5.795  -3.866   3.837  1.00  0.00           C
ATOM      0  H   LEU A  22       3.108  -2.353   1.639  1.00  0.00           H   new
ATOM      0  HA  LEU A  22       5.161  -1.433  -0.081  1.00  0.00           H   new
ATOM      0  HB2 LEU A  22       6.662  -2.181   1.593  1.00  0.00           H   new
ATOM      0  HB3 LEU A  22       5.195  -1.793   2.470  1.00  0.00           H   new
ATOM      0  HG  LEU A  22       4.621  -4.359   2.084  1.00  0.00           H   new
ATOM      0 HD11 LEU A  22       6.661  -5.786   2.117  1.00  0.00           H   new
ATOM      0 HD12 LEU A  22       6.565  -4.830   0.619  1.00  0.00           H   new
ATOM      0 HD13 LEU A  22       7.673  -4.335   1.921  1.00  0.00           H   new
ATOM      0 HD21 LEU A  22       5.770  -4.877   4.243  1.00  0.00           H   new
ATOM      0 HD22 LEU A  22       6.760  -3.411   4.058  1.00  0.00           H   new
ATOM      0 HD23 LEU A  22       5.002  -3.273   4.292  1.00  0.00           H   new
ATOM    371  N   ARG A  23       4.351  -4.584  -0.576  1.00  0.00           N
ATOM    372  CA  ARG A  23       4.576  -5.757  -1.496  1.00  0.00           C
ATOM    373  C   ARG A  23       4.632  -5.267  -2.964  1.00  0.00           C
ATOM    374  O   ARG A  23       5.347  -5.825  -3.773  1.00  0.00           O
ATOM    375  CB  ARG A  23       3.429  -6.770  -1.334  1.00  0.00           C
ATOM    376  CG  ARG A  23       3.984  -8.202  -1.270  1.00  0.00           C
ATOM    377  CD  ARG A  23       4.380  -8.553   0.173  1.00  0.00           C
ATOM    378  NE  ARG A  23       3.162  -8.581   1.041  1.00  0.00           N
ATOM    379  CZ  ARG A  23       2.607  -9.715   1.382  1.00  0.00           C
ATOM    380  NH1 ARG A  23       2.990 -10.321   2.480  1.00  0.00           N
ATOM    381  NH2 ARG A  23       1.664 -10.230   0.633  1.00  0.00           N
ATOM      0  H   ARG A  23       3.517  -4.658   0.006  1.00  0.00           H   new
ATOM      0  HA  ARG A  23       5.521  -6.237  -1.240  1.00  0.00           H   new
ATOM      0  HB2 ARG A  23       2.867  -6.550  -0.426  1.00  0.00           H   new
ATOM      0  HB3 ARG A  23       2.734  -6.679  -2.169  1.00  0.00           H   new
ATOM      0  HG2 ARG A  23       3.235  -8.907  -1.631  1.00  0.00           H   new
ATOM      0  HG3 ARG A  23       4.850  -8.294  -1.925  1.00  0.00           H   new
ATOM      0  HD2 ARG A  23       4.877  -9.523   0.198  1.00  0.00           H   new
ATOM      0  HD3 ARG A  23       5.092  -7.820   0.553  1.00  0.00           H   new
ATOM      0  HE  ARG A  23       2.759  -7.704   1.371  1.00  0.00           H   new
ATOM      0 HH11 ARG A  23       3.717  -9.908   3.063  1.00  0.00           H   new
ATOM      0 HH12 ARG A  23       2.560 -11.206   2.751  1.00  0.00           H   new
ATOM      0 HH21 ARG A  23       1.364  -9.747  -0.214  1.00  0.00           H   new
ATOM      0 HH22 ARG A  23       1.229 -11.114   0.896  1.00  0.00           H   new
ATOM    395  N   LYS A  24       3.895  -4.209  -3.291  1.00  0.00           N
ATOM    396  CA  LYS A  24       3.910  -3.637  -4.679  1.00  0.00           C
ATOM    397  C   LYS A  24       4.655  -2.265  -4.686  1.00  0.00           C
ATOM    398  O   LYS A  24       4.420  -1.431  -5.548  1.00  0.00           O
ATOM    399  CB  LYS A  24       2.452  -3.460  -5.152  1.00  0.00           C
ATOM    400  CG  LYS A  24       2.022  -4.675  -5.990  1.00  0.00           C
ATOM    401  CD  LYS A  24       0.891  -5.435  -5.279  1.00  0.00           C
ATOM    402  CE  LYS A  24       1.478  -6.396  -4.235  1.00  0.00           C
ATOM    403  NZ  LYS A  24       0.947  -7.774  -4.453  1.00  0.00           N
ATOM      0  H   LYS A  24       3.281  -3.720  -2.640  1.00  0.00           H   new
ATOM      0  HA  LYS A  24       4.436  -4.311  -5.355  1.00  0.00           H   new
ATOM      0  HB2 LYS A  24       1.792  -3.349  -4.291  1.00  0.00           H   new
ATOM      0  HB3 LYS A  24       2.360  -2.549  -5.743  1.00  0.00           H   new
ATOM      0  HG2 LYS A  24       1.687  -4.347  -6.974  1.00  0.00           H   new
ATOM      0  HG3 LYS A  24       2.873  -5.338  -6.147  1.00  0.00           H   new
ATOM      0  HD2 LYS A  24       0.215  -4.729  -4.796  1.00  0.00           H   new
ATOM      0  HD3 LYS A  24       0.302  -5.992  -6.008  1.00  0.00           H   new
ATOM      0  HE2 LYS A  24       2.566  -6.401  -4.305  1.00  0.00           H   new
ATOM      0  HE3 LYS A  24       1.225  -6.054  -3.231  1.00  0.00           H   new
ATOM      0  HZ1 LYS A  24       0.840  -8.254  -3.537  1.00  0.00           H   new
ATOM      0  HZ2 LYS A  24       0.022  -7.719  -4.925  1.00  0.00           H   new
ATOM      0  HZ3 LYS A  24       1.609  -8.311  -5.049  1.00  0.00           H   new
ATOM    417  N   LYS A  25       5.563  -2.041  -3.739  1.00  0.00           N
ATOM    418  CA  LYS A  25       6.344  -0.749  -3.674  1.00  0.00           C
ATOM    419  C   LYS A  25       7.826  -1.103  -3.488  1.00  0.00           C
ATOM    420  O   LYS A  25       8.203  -1.642  -2.458  1.00  0.00           O
ATOM    421  CB  LYS A  25       5.886   0.127  -2.481  1.00  0.00           C
ATOM    422  CG  LYS A  25       4.356   0.227  -2.410  1.00  0.00           C
ATOM    423  CD  LYS A  25       3.841   1.268  -3.408  1.00  0.00           C
ATOM    424  CE  LYS A  25       2.322   1.113  -3.582  1.00  0.00           C
ATOM    425  NZ  LYS A  25       2.011  -0.133  -4.352  1.00  0.00           N
ATOM      0  H   LYS A  25       5.794  -2.709  -3.004  1.00  0.00           H   new
ATOM      0  HA  LYS A  25       6.178  -0.186  -4.592  1.00  0.00           H   new
ATOM      0  HB2 LYS A  25       6.267  -0.295  -1.551  1.00  0.00           H   new
ATOM      0  HB3 LYS A  25       6.313   1.125  -2.577  1.00  0.00           H   new
ATOM      0  HG2 LYS A  25       3.912  -0.744  -2.627  1.00  0.00           H   new
ATOM      0  HG3 LYS A  25       4.050   0.500  -1.400  1.00  0.00           H   new
ATOM      0  HD2 LYS A  25       4.075   2.272  -3.054  1.00  0.00           H   new
ATOM      0  HD3 LYS A  25       4.341   1.144  -4.368  1.00  0.00           H   new
ATOM      0  HE2 LYS A  25       1.839   1.075  -2.605  1.00  0.00           H   new
ATOM      0  HE3 LYS A  25       1.918   1.981  -4.103  1.00  0.00           H   new
ATOM      0  HZ1 LYS A  25       1.234   0.055  -5.017  1.00  0.00           H   new
ATOM      0  HZ2 LYS A  25       2.854  -0.434  -4.881  1.00  0.00           H   new
ATOM      0  HZ3 LYS A  25       1.729  -0.887  -3.693  1.00  0.00           H   new
ATOM    439  N   LEU A  26       8.641  -0.861  -4.513  1.00  0.00           N
ATOM    440  CA  LEU A  26      10.121  -1.204  -4.514  1.00  0.00           C
ATOM    441  C   LEU A  26      10.265  -2.637  -5.047  1.00  0.00           C
ATOM    442  O   LEU A  26      11.046  -2.888  -5.942  1.00  0.00           O
ATOM    443  CB  LEU A  26      10.770  -1.072  -3.115  1.00  0.00           C
ATOM    444  CG  LEU A  26      12.297  -0.947  -3.249  1.00  0.00           C
ATOM    445  CD1 LEU A  26      12.826   0.069  -2.232  1.00  0.00           C
ATOM    446  CD2 LEU A  26      12.950  -2.309  -2.988  1.00  0.00           C
ATOM      0  H   LEU A  26       8.326  -0.424  -5.379  1.00  0.00           H   new
ATOM      0  HA  LEU A  26      10.648  -0.493  -5.151  1.00  0.00           H   new
ATOM      0  HB2 LEU A  26      10.370  -0.198  -2.601  1.00  0.00           H   new
ATOM      0  HB3 LEU A  26      10.521  -1.941  -2.507  1.00  0.00           H   new
ATOM      0  HG  LEU A  26      12.539  -0.611  -4.257  1.00  0.00           H   new
ATOM      0 HD11 LEU A  26      13.908   0.154  -2.331  1.00  0.00           H   new
ATOM      0 HD12 LEU A  26      12.368   1.041  -2.416  1.00  0.00           H   new
ATOM      0 HD13 LEU A  26      12.579  -0.263  -1.224  1.00  0.00           H   new
ATOM      0 HD21 LEU A  26      14.032  -2.218  -3.084  1.00  0.00           H   new
ATOM      0 HD22 LEU A  26      12.702  -2.645  -1.981  1.00  0.00           H   new
ATOM      0 HD23 LEU A  26      12.581  -3.034  -3.713  1.00  0.00           H   new
ATOM    458  N   GLN A  27       9.468  -3.559  -4.529  1.00  0.00           N
ATOM    459  CA  GLN A  27       9.474  -4.984  -5.009  1.00  0.00           C
ATOM    460  C   GLN A  27       9.036  -5.056  -6.486  1.00  0.00           C
ATOM    461  O   GLN A  27       9.479  -5.914  -7.232  1.00  0.00           O
ATOM    462  CB  GLN A  27       8.482  -5.794  -4.168  1.00  0.00           C
ATOM    463  CG  GLN A  27       8.830  -5.692  -2.675  1.00  0.00           C
ATOM    464  CD  GLN A  27       8.602  -7.044  -1.987  1.00  0.00           C
ATOM    465  OE1 GLN A  27       7.606  -7.238  -1.322  1.00  0.00           O
ATOM    466  NE2 GLN A  27       9.489  -7.996  -2.116  1.00  0.00           N
ATOM      0  H   GLN A  27       8.802  -3.374  -3.779  1.00  0.00           H   new
ATOM      0  HA  GLN A  27      10.483  -5.385  -4.912  1.00  0.00           H   new
ATOM      0  HB2 GLN A  27       7.469  -5.427  -4.337  1.00  0.00           H   new
ATOM      0  HB3 GLN A  27       8.499  -6.838  -4.481  1.00  0.00           H   new
ATOM      0  HG2 GLN A  27       9.869  -5.385  -2.556  1.00  0.00           H   new
ATOM      0  HG3 GLN A  27       8.215  -4.926  -2.202  1.00  0.00           H   new
ATOM      0 HE21 GLN A  27      10.328  -7.839  -2.674  1.00  0.00           H   new
ATOM      0 HE22 GLN A  27       9.342  -8.896  -1.659  1.00  0.00           H   new
ATOM    475  N   ASP A  28       8.175  -4.142  -6.886  1.00  0.00           N
ATOM    476  CA  ASP A  28       7.659  -4.077  -8.304  1.00  0.00           C
ATOM    477  C   ASP A  28       8.795  -3.874  -9.331  1.00  0.00           C
ATOM    478  O   ASP A  28       8.637  -4.198 -10.493  1.00  0.00           O
ATOM    479  CB  ASP A  28       6.641  -2.926  -8.419  1.00  0.00           C
ATOM    480  CG  ASP A  28       5.273  -3.479  -8.826  1.00  0.00           C
ATOM    481  OD1 ASP A  28       5.057  -3.661 -10.013  1.00  0.00           O
ATOM    482  OD2 ASP A  28       4.465  -3.709  -7.940  1.00  0.00           O
ATOM      0  H   ASP A  28       7.797  -3.419  -6.274  1.00  0.00           H   new
ATOM      0  HA  ASP A  28       7.184  -5.031  -8.532  1.00  0.00           H   new
ATOM      0  HB2 ASP A  28       6.562  -2.402  -7.466  1.00  0.00           H   new
ATOM      0  HB3 ASP A  28       6.983  -2.199  -9.156  1.00  0.00           H   new
ATOM    487  N   VAL A  29       9.922  -3.355  -8.900  1.00  0.00           N
ATOM    488  CA  VAL A  29      11.098  -3.133  -9.819  1.00  0.00           C
ATOM    489  C   VAL A  29      12.340  -3.923  -9.337  1.00  0.00           C
ATOM    490  O   VAL A  29      13.123  -4.403 -10.141  1.00  0.00           O
ATOM    491  CB  VAL A  29      11.392  -1.615  -9.937  1.00  0.00           C
ATOM    492  CG1 VAL A  29      11.924  -1.044  -8.613  1.00  0.00           C
ATOM    493  CG2 VAL A  29      12.426  -1.372 -11.045  1.00  0.00           C
ATOM      0  H   VAL A  29      10.084  -3.070  -7.934  1.00  0.00           H   new
ATOM      0  HA  VAL A  29      10.849  -3.511 -10.811  1.00  0.00           H   new
ATOM      0  HB  VAL A  29      10.457  -1.109 -10.180  1.00  0.00           H   new
ATOM      0 HG11 VAL A  29      12.120   0.022  -8.729  1.00  0.00           H   new
ATOM      0 HG12 VAL A  29      11.182  -1.193  -7.828  1.00  0.00           H   new
ATOM      0 HG13 VAL A  29      12.847  -1.555  -8.341  1.00  0.00           H   new
ATOM      0 HG21 VAL A  29      12.630  -0.304 -11.125  1.00  0.00           H   new
ATOM      0 HG22 VAL A  29      13.348  -1.900 -10.804  1.00  0.00           H   new
ATOM      0 HG23 VAL A  29      12.035  -1.739 -11.994  1.00  0.00           H   new