USER  MOD reduce.3.24.130724 H: found=0, std=0, add=221, rem=0, adj=7
USER  MOD reduce.3.24.130724 removed 221 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 Single : A   4 LYS NZ  :NH3+    180:sc=       0   (180deg=0)
USER  MOD Single : A   6 MET CE  :methyl  150:sc=   -4.88!  (180deg=-7.37!)
USER  MOD Single : A   8 LYS NZ  :NH3+    180:sc=       0   (180deg=0)
USER  MOD Single : A  10 LYS NZ  :NH3+    180:sc=       0   (180deg=0)
USER  MOD Single : A  11 ASN     :FLIP  amide:sc= -0.0439  F(o=-0.79,f=-0.044)
USER  MOD Single : A  12 SER OG  :   rot  -51:sc=    1.24
USER  MOD Single : A  13 ASN     :      amide:sc= -0.0624  X(o=-0.062,f=0)
USER  MOD Single : A  16 CYS SG  :   rot  180:sc=       0
USER  MOD Single : A  17 LYS NZ  :NH3+    180:sc=       0   (180deg=0)
USER  MOD Single : A  22 SER OG  :   rot  160:sc=       0
USER  MOD Single : A  23 SER OG  :   rot  180:sc=       0
USER  MOD Single : A  26 LYS NZ  :NH3+   -143:sc=   -1.05   (180deg=-2.02!)
USER  MOD -----------------------------------------------------------------
ATOM     35  N   LYS A   4      -5.103   1.958   4.608  1.00  0.00           N
ATOM     36  CA  LYS A   4      -3.974   1.746   5.558  1.00  0.00           C
ATOM     37  C   LYS A   4      -3.214   0.472   5.185  1.00  0.00           C
ATOM     38  O   LYS A   4      -3.743  -0.404   4.530  1.00  0.00           O
ATOM     39  CB  LYS A   4      -4.635   1.589   6.927  1.00  0.00           C
ATOM     40  CG  LYS A   4      -3.894   2.444   7.957  1.00  0.00           C
ATOM     41  CD  LYS A   4      -2.917   1.565   8.740  1.00  0.00           C
ATOM     42  CE  LYS A   4      -3.513   1.234  10.109  1.00  0.00           C
ATOM     43  NZ  LYS A   4      -3.195  -0.204  10.330  1.00  0.00           N
ATOM      0  HA  LYS A   4      -3.257   2.567   5.543  1.00  0.00           H   new
ATOM      0  HB2 LYS A   4      -5.681   1.891   6.874  1.00  0.00           H   new
ATOM      0  HB3 LYS A   4      -4.621   0.542   7.231  1.00  0.00           H   new
ATOM      0  HG2 LYS A   4      -3.355   3.249   7.457  1.00  0.00           H   new
ATOM      0  HG3 LYS A   4      -4.606   2.911   8.638  1.00  0.00           H   new
ATOM      0  HD2 LYS A   4      -2.715   0.647   8.188  1.00  0.00           H   new
ATOM      0  HD3 LYS A   4      -1.964   2.081   8.861  1.00  0.00           H   new
ATOM      0  HE2 LYS A   4      -3.079   1.859  10.890  1.00  0.00           H   new
ATOM      0  HE3 LYS A   4      -4.589   1.407  10.123  1.00  0.00           H   new
ATOM      0  HZ1 LYS A   4      -3.572  -0.505  11.251  1.00  0.00           H   new
ATOM      0  HZ2 LYS A   4      -3.626  -0.775   9.575  1.00  0.00           H   new
ATOM      0  HZ3 LYS A   4      -2.164  -0.337  10.318  1.00  0.00           H   new
ATOM     57  N   PHE A   5      -1.982   0.356   5.594  1.00  0.00           N
ATOM     58  CA  PHE A   5      -1.203  -0.865   5.258  1.00  0.00           C
ATOM     59  C   PHE A   5      -2.017  -2.117   5.580  1.00  0.00           C
ATOM     60  O   PHE A   5      -2.953  -2.084   6.355  1.00  0.00           O
ATOM     61  CB  PHE A   5       0.040  -0.806   6.144  1.00  0.00           C
ATOM     62  CG  PHE A   5       0.948  -1.982   5.851  1.00  0.00           C
ATOM     63  CD1 PHE A   5       0.681  -3.245   6.405  1.00  0.00           C
ATOM     64  CD2 PHE A   5       2.076  -1.802   5.041  1.00  0.00           C
ATOM     65  CE1 PHE A   5       1.543  -4.318   6.144  1.00  0.00           C
ATOM     66  CE2 PHE A   5       2.937  -2.874   4.787  1.00  0.00           C
ATOM     67  CZ  PHE A   5       2.672  -4.131   5.336  1.00  0.00           C
ATOM      0  H   PHE A   5      -1.482   1.053   6.146  1.00  0.00           H   new
ATOM      0  HA  PHE A   5      -0.950  -0.907   4.199  1.00  0.00           H   new
ATOM      0  HB2 PHE A   5       0.575   0.128   5.971  1.00  0.00           H   new
ATOM      0  HB3 PHE A   5      -0.252  -0.816   7.194  1.00  0.00           H   new
ATOM      0  HD1 PHE A   5      -0.187  -3.389   7.031  1.00  0.00           H   new
ATOM      0  HD2 PHE A   5       2.281  -0.833   4.611  1.00  0.00           H   new
ATOM      0  HE1 PHE A   5       1.337  -5.290   6.566  1.00  0.00           H   new
ATOM      0  HE2 PHE A   5       3.808  -2.730   4.165  1.00  0.00           H   new
ATOM      0  HZ  PHE A   5       3.337  -4.958   5.138  1.00  0.00           H   new
ATOM     77  N   MET A   6      -1.651  -3.222   5.001  1.00  0.00           N
ATOM     78  CA  MET A   6      -2.372  -4.498   5.270  1.00  0.00           C
ATOM     79  C   MET A   6      -3.748  -4.514   4.596  1.00  0.00           C
ATOM     80  O   MET A   6      -4.552  -5.394   4.834  1.00  0.00           O
ATOM     81  CB  MET A   6      -2.513  -4.583   6.792  1.00  0.00           C
ATOM     82  CG  MET A   6      -1.869  -5.879   7.290  1.00  0.00           C
ATOM     83  SD  MET A   6      -1.199  -5.623   8.951  1.00  0.00           S
ATOM     84  CE  MET A   6       0.440  -6.329   8.651  1.00  0.00           C
ATOM      0  H   MET A   6      -0.874  -3.299   4.345  1.00  0.00           H   new
ATOM      0  HA  MET A   6      -1.826  -5.351   4.867  1.00  0.00           H   new
ATOM      0  HB2 MET A   6      -2.035  -3.723   7.261  1.00  0.00           H   new
ATOM      0  HB3 MET A   6      -3.566  -4.556   7.073  1.00  0.00           H   new
ATOM      0  HG2 MET A   6      -2.606  -6.682   7.304  1.00  0.00           H   new
ATOM      0  HG3 MET A   6      -1.075  -6.187   6.610  1.00  0.00           H   new
ATOM      0  HE1 MET A   6       1.171  -5.837   9.292  1.00  0.00           H   new
ATOM      0  HE2 MET A   6       0.423  -7.396   8.873  1.00  0.00           H   new
ATOM      0  HE3 MET A   6       0.715  -6.180   7.607  1.00  0.00           H   new
ATOM     94  N   TRP A   7      -4.029  -3.559   3.757  1.00  0.00           N
ATOM     95  CA  TRP A   7      -5.355  -3.541   3.078  1.00  0.00           C
ATOM     96  C   TRP A   7      -5.346  -4.449   1.843  1.00  0.00           C
ATOM     97  O   TRP A   7      -4.416  -4.441   1.061  1.00  0.00           O
ATOM     98  CB  TRP A   7      -5.574  -2.086   2.669  1.00  0.00           C
ATOM     99  CG  TRP A   7      -6.248  -1.362   3.782  1.00  0.00           C
ATOM    100  CD1 TRP A   7      -5.988  -1.543   5.097  1.00  0.00           C
ATOM    101  CD2 TRP A   7      -7.286  -0.350   3.705  1.00  0.00           C
ATOM    102  NE1 TRP A   7      -6.810  -0.704   5.830  1.00  0.00           N
ATOM    103  CE2 TRP A   7      -7.624   0.048   5.016  1.00  0.00           C
ATOM    104  CE3 TRP A   7      -7.960   0.252   2.632  1.00  0.00           C
ATOM    105  CZ2 TRP A   7      -8.596   1.010   5.260  1.00  0.00           C
ATOM    106  CZ3 TRP A   7      -8.944   1.226   2.871  1.00  0.00           C
ATOM    107  CH2 TRP A   7      -9.262   1.604   4.184  1.00  0.00           C
ATOM      0  H   TRP A   7      -3.402  -2.793   3.512  1.00  0.00           H   new
ATOM      0  HA  TRP A   7      -6.148  -3.908   3.729  1.00  0.00           H   new
ATOM      0  HB2 TRP A   7      -4.620  -1.613   2.437  1.00  0.00           H   new
ATOM      0  HB3 TRP A   7      -6.182  -2.037   1.766  1.00  0.00           H   new
ATOM      0  HD1 TRP A   7      -5.260  -2.228   5.507  1.00  0.00           H   new
ATOM      0  HE1 TRP A   7      -6.812  -0.650   6.849  1.00  0.00           H   new
ATOM      0  HE3 TRP A   7      -7.722  -0.034   1.618  1.00  0.00           H   new
ATOM      0  HZ2 TRP A   7      -8.835   1.297   6.273  1.00  0.00           H   new
ATOM      0  HZ3 TRP A   7      -9.458   1.686   2.040  1.00  0.00           H   new
ATOM      0  HH2 TRP A   7     -10.020   2.352   4.363  1.00  0.00           H   new
ATOM    118  N   LYS A   8      -6.382  -5.223   1.660  1.00  0.00           N
ATOM    119  CA  LYS A   8      -6.445  -6.124   0.471  1.00  0.00           C
ATOM    120  C   LYS A   8      -6.995  -5.351  -0.731  1.00  0.00           C
ATOM    121  O   LYS A   8      -8.086  -4.819  -0.691  1.00  0.00           O
ATOM    122  CB  LYS A   8      -7.402  -7.248   0.871  1.00  0.00           C
ATOM    123  CG  LYS A   8      -8.710  -6.646   1.389  1.00  0.00           C
ATOM    124  CD  LYS A   8      -9.883  -7.184   0.569  1.00  0.00           C
ATOM    125  CE  LYS A   8     -10.733  -8.110   1.443  1.00  0.00           C
ATOM    126  NZ  LYS A   8     -12.093  -7.504   1.438  1.00  0.00           N
ATOM      0  H   LYS A   8      -7.188  -5.271   2.283  1.00  0.00           H   new
ATOM      0  HA  LYS A   8      -5.466  -6.512   0.188  1.00  0.00           H   new
ATOM      0  HB2 LYS A   8      -7.600  -7.893   0.015  1.00  0.00           H   new
ATOM      0  HB3 LYS A   8      -6.946  -7.871   1.641  1.00  0.00           H   new
ATOM      0  HG2 LYS A   8      -8.845  -6.895   2.442  1.00  0.00           H   new
ATOM      0  HG3 LYS A   8      -8.674  -5.559   1.321  1.00  0.00           H   new
ATOM      0  HD2 LYS A   8     -10.490  -6.358   0.197  1.00  0.00           H   new
ATOM      0  HD3 LYS A   8      -9.514  -7.726  -0.302  1.00  0.00           H   new
ATOM      0  HE2 LYS A   8     -10.751  -9.124   1.043  1.00  0.00           H   new
ATOM      0  HE3 LYS A   8     -10.333  -8.174   2.455  1.00  0.00           H   new
ATOM      0  HZ1 LYS A   8     -12.733  -8.084   2.017  1.00  0.00           H   new
ATOM      0  HZ2 LYS A   8     -12.046  -6.542   1.831  1.00  0.00           H   new
ATOM      0  HZ3 LYS A   8     -12.451  -7.462   0.462  1.00  0.00           H   new
ATOM    140  N   CYS A   9      -6.239  -5.265  -1.791  1.00  0.00           N
ATOM    141  CA  CYS A   9      -6.709  -4.504  -2.985  1.00  0.00           C
ATOM    142  C   CYS A   9      -6.502  -5.318  -4.263  1.00  0.00           C
ATOM    143  O   CYS A   9      -6.270  -6.510  -4.229  1.00  0.00           O
ATOM    144  CB  CYS A   9      -5.865  -3.217  -3.033  1.00  0.00           C
ATOM    145  SG  CYS A   9      -4.417  -3.324  -1.945  1.00  0.00           S
ATOM      0  H   CYS A   9      -5.316  -5.689  -1.883  1.00  0.00           H   new
ATOM      0  HA  CYS A   9      -7.774  -4.284  -2.914  1.00  0.00           H   new
ATOM      0  HB2 CYS A   9      -5.538  -3.034  -4.057  1.00  0.00           H   new
ATOM      0  HB3 CYS A   9      -6.480  -2.367  -2.738  1.00  0.00           H   new
ATOM    150  N   LYS A  10      -6.602  -4.674  -5.394  1.00  0.00           N
ATOM    151  CA  LYS A  10      -6.431  -5.391  -6.693  1.00  0.00           C
ATOM    152  C   LYS A  10      -4.960  -5.426  -7.121  1.00  0.00           C
ATOM    153  O   LYS A  10      -4.465  -6.436  -7.581  1.00  0.00           O
ATOM    154  CB  LYS A  10      -7.267  -4.589  -7.696  1.00  0.00           C
ATOM    155  CG  LYS A  10      -6.670  -3.188  -7.870  1.00  0.00           C
ATOM    156  CD  LYS A  10      -7.732  -2.246  -8.438  1.00  0.00           C
ATOM    157  CE  LYS A  10      -7.636  -2.227  -9.964  1.00  0.00           C
ATOM    158  NZ  LYS A  10      -9.000  -2.591 -10.438  1.00  0.00           N
ATOM      0  H   LYS A  10      -6.796  -3.676  -5.476  1.00  0.00           H   new
ATOM      0  HA  LYS A  10      -6.749  -6.431  -6.625  1.00  0.00           H   new
ATOM      0  HB2 LYS A  10      -7.293  -5.105  -8.656  1.00  0.00           H   new
ATOM      0  HB3 LYS A  10      -8.297  -4.514  -7.347  1.00  0.00           H   new
ATOM      0  HG2 LYS A  10      -6.311  -2.813  -6.912  1.00  0.00           H   new
ATOM      0  HG3 LYS A  10      -5.810  -3.228  -8.538  1.00  0.00           H   new
ATOM      0  HD2 LYS A  10      -8.725  -2.573  -8.130  1.00  0.00           H   new
ATOM      0  HD3 LYS A  10      -7.590  -1.240  -8.042  1.00  0.00           H   new
ATOM      0  HE2 LYS A  10      -7.340  -1.243 -10.329  1.00  0.00           H   new
ATOM      0  HE3 LYS A  10      -6.891  -2.937 -10.322  1.00  0.00           H   new
ATOM      0  HZ1 LYS A  10      -9.015  -2.599 -11.478  1.00  0.00           H   new
ATOM      0  HZ2 LYS A  10      -9.252  -3.535 -10.080  1.00  0.00           H   new
ATOM      0  HZ3 LYS A  10      -9.687  -1.893 -10.087  1.00  0.00           H   new
ATOM    172  N   ASN A  11      -4.257  -4.337  -6.984  1.00  0.00           N
ATOM    173  CA  ASN A  11      -2.822  -4.321  -7.397  1.00  0.00           C
ATOM    174  C   ASN A  11      -2.115  -3.083  -6.843  1.00  0.00           C
ATOM    175  O   ASN A  11      -1.030  -3.164  -6.304  1.00  0.00           O
ATOM    176  CB  ASN A  11      -2.852  -4.278  -8.924  1.00  0.00           C
ATOM    177  CG  ASN A  11      -2.269  -5.578  -9.485  1.00  0.00           C
ATOM    178  OD1 ASN A  11      -1.012  -5.618  -9.836  1.00  0.00           O   flip
ATOM    179  ND2 ASN A  11      -2.965  -6.566  -9.606  1.00  0.00           N   flip
ATOM      0  H   ASN A  11      -4.611  -3.458  -6.605  1.00  0.00           H   new
ATOM      0  HA  ASN A  11      -2.279  -5.187  -7.019  1.00  0.00           H   new
ATOM      0  HB2 ASN A  11      -3.876  -4.146  -9.274  1.00  0.00           H   new
ATOM      0  HB3 ASN A  11      -2.278  -3.424  -9.285  1.00  0.00           H   new
ATOM      0 HD21 ASN A  11      -3.947  -6.535  -9.332  1.00  0.00           H   new
ATOM      0 HD22 ASN A  11      -2.568  -7.427  -9.982  1.00  0.00           H   new
ATOM    186  N   SER A  12      -2.724  -1.939  -6.972  1.00  0.00           N
ATOM    187  CA  SER A  12      -2.096  -0.695  -6.455  1.00  0.00           C
ATOM    188  C   SER A  12      -2.983   0.516  -6.758  1.00  0.00           C
ATOM    189  O   SER A  12      -2.502   1.614  -6.952  1.00  0.00           O
ATOM    190  CB  SER A  12      -0.761  -0.577  -7.191  1.00  0.00           C
ATOM    191  OG  SER A  12      -0.152   0.665  -6.860  1.00  0.00           O
ATOM      0  H   SER A  12      -3.634  -1.812  -7.415  1.00  0.00           H   new
ATOM      0  HA  SER A  12      -1.961  -0.728  -5.374  1.00  0.00           H   new
ATOM      0  HB2 SER A  12      -0.105  -1.402  -6.914  1.00  0.00           H   new
ATOM      0  HB3 SER A  12      -0.919  -0.643  -8.268  1.00  0.00           H   new
ATOM      0  HG  SER A  12      -0.793   1.392  -7.003  1.00  0.00           H   new
ATOM    197  N   ASN A  13      -4.273   0.327  -6.794  1.00  0.00           N
ATOM    198  CA  ASN A  13      -5.182   1.474  -7.077  1.00  0.00           C
ATOM    199  C   ASN A  13      -6.008   1.806  -5.835  1.00  0.00           C
ATOM    200  O   ASN A  13      -6.891   2.641  -5.867  1.00  0.00           O
ATOM    201  CB  ASN A  13      -6.086   0.995  -8.213  1.00  0.00           C
ATOM    202  CG  ASN A  13      -6.010   1.985  -9.378  1.00  0.00           C
ATOM    203  OD1 ASN A  13      -7.019   2.490  -9.829  1.00  0.00           O
ATOM    204  ND2 ASN A  13      -4.846   2.287  -9.888  1.00  0.00           N
ATOM      0  H   ASN A  13      -4.736  -0.569  -6.640  1.00  0.00           H   new
ATOM      0  HA  ASN A  13      -4.637   2.378  -7.348  1.00  0.00           H   new
ATOM      0  HB2 ASN A  13      -5.778   0.003  -8.544  1.00  0.00           H   new
ATOM      0  HB3 ASN A  13      -7.114   0.908  -7.862  1.00  0.00           H   new
ATOM      0 HD21 ASN A  13      -4.785   2.946 -10.664  1.00  0.00           H   new
ATOM      0 HD22 ASN A  13      -3.998   1.864  -9.510  1.00  0.00           H   new
ATOM    211  N   ASP A  14      -5.728   1.159  -4.737  1.00  0.00           N
ATOM    212  CA  ASP A  14      -6.498   1.435  -3.491  1.00  0.00           C
ATOM    213  C   ASP A  14      -5.541   1.696  -2.324  1.00  0.00           C
ATOM    214  O   ASP A  14      -5.958   2.009  -1.226  1.00  0.00           O
ATOM    215  CB  ASP A  14      -7.319   0.169  -3.247  1.00  0.00           C
ATOM    216  CG  ASP A  14      -8.709   0.333  -3.865  1.00  0.00           C
ATOM    217  OD1 ASP A  14      -8.982   1.401  -4.386  1.00  0.00           O
ATOM    218  OD2 ASP A  14      -9.477  -0.614  -3.809  1.00  0.00           O
ATOM      0  H   ASP A  14      -4.999   0.451  -4.649  1.00  0.00           H   new
ATOM      0  HA  ASP A  14      -7.131   2.318  -3.581  1.00  0.00           H   new
ATOM      0  HB2 ASP A  14      -6.815  -0.693  -3.684  1.00  0.00           H   new
ATOM      0  HB3 ASP A  14      -7.405  -0.020  -2.177  1.00  0.00           H   new
ATOM    223  N   CYS A  15      -4.260   1.565  -2.552  1.00  0.00           N
ATOM    224  CA  CYS A  15      -3.277   1.800  -1.457  1.00  0.00           C
ATOM    225  C   CYS A  15      -3.026   3.298  -1.266  1.00  0.00           C
ATOM    226  O   CYS A  15      -3.128   4.080  -2.190  1.00  0.00           O
ATOM    227  CB  CYS A  15      -2.005   1.099  -1.928  1.00  0.00           C
ATOM    228  SG  CYS A  15      -2.296  -0.684  -1.982  1.00  0.00           S
ATOM      0  H   CYS A  15      -3.853   1.305  -3.451  1.00  0.00           H   new
ATOM      0  HA  CYS A  15      -3.630   1.422  -0.497  1.00  0.00           H   new
ATOM      0  HB2 CYS A  15      -1.719   1.463  -2.915  1.00  0.00           H   new
ATOM      0  HB3 CYS A  15      -1.180   1.325  -1.253  1.00  0.00           H   new
ATOM    233  N   CYS A  16      -2.698   3.699  -0.069  1.00  0.00           N
ATOM    234  CA  CYS A  16      -2.435   5.142   0.194  1.00  0.00           C
ATOM    235  C   CYS A  16      -1.162   5.595  -0.525  1.00  0.00           C
ATOM    236  O   CYS A  16      -0.387   4.789  -1.001  1.00  0.00           O
ATOM    237  CB  CYS A  16      -2.254   5.235   1.707  1.00  0.00           C
ATOM    238  SG  CYS A  16      -3.763   5.896   2.451  1.00  0.00           S
ATOM      0  H   CYS A  16      -2.600   3.087   0.741  1.00  0.00           H   new
ATOM      0  HA  CYS A  16      -3.242   5.780  -0.166  1.00  0.00           H   new
ATOM      0  HB2 CYS A  16      -2.033   4.251   2.119  1.00  0.00           H   new
ATOM      0  HB3 CYS A  16      -1.406   5.878   1.944  1.00  0.00           H   new
ATOM      0  HG  CYS A  16      -3.613   5.974   3.740  1.00  0.00           H   new
ATOM    243  N   LYS A  17      -0.937   6.877  -0.608  1.00  0.00           N
ATOM    244  CA  LYS A  17       0.286   7.374  -1.296  1.00  0.00           C
ATOM    245  C   LYS A  17       1.514   6.609  -0.795  1.00  0.00           C
ATOM    246  O   LYS A  17       1.554   6.149   0.329  1.00  0.00           O
ATOM    247  CB  LYS A  17       0.382   8.852  -0.922  1.00  0.00           C
ATOM    248  CG  LYS A  17       1.560   9.490  -1.663  1.00  0.00           C
ATOM    249  CD  LYS A  17       1.033  10.452  -2.730  1.00  0.00           C
ATOM    250  CE  LYS A  17       0.819  11.836  -2.109  1.00  0.00           C
ATOM    251  NZ  LYS A  17      -0.278  12.450  -2.908  1.00  0.00           N
ATOM      0  H   LYS A  17      -1.547   7.601  -0.229  1.00  0.00           H   new
ATOM      0  HA  LYS A  17       0.241   7.234  -2.376  1.00  0.00           H   new
ATOM      0  HB2 LYS A  17      -0.545   9.365  -1.180  1.00  0.00           H   new
ATOM      0  HB3 LYS A  17       0.515   8.958   0.155  1.00  0.00           H   new
ATOM      0  HG2 LYS A  17       2.199  10.025  -0.960  1.00  0.00           H   new
ATOM      0  HG3 LYS A  17       2.173   8.717  -2.126  1.00  0.00           H   new
ATOM      0  HD2 LYS A  17       1.740  10.518  -3.557  1.00  0.00           H   new
ATOM      0  HD3 LYS A  17       0.096  10.077  -3.142  1.00  0.00           H   new
ATOM      0  HE2 LYS A  17       0.546  11.759  -1.057  1.00  0.00           H   new
ATOM      0  HE3 LYS A  17       1.728  12.436  -2.159  1.00  0.00           H   new
ATOM      0  HZ1 LYS A  17      -0.483  13.402  -2.543  1.00  0.00           H   new
ATOM      0  HZ2 LYS A  17       0.013  12.517  -3.904  1.00  0.00           H   new
ATOM      0  HZ3 LYS A  17      -1.132  11.861  -2.836  1.00  0.00           H   new
ATOM    265  N   ASP A  18       2.513   6.462  -1.622  1.00  0.00           N
ATOM    266  CA  ASP A  18       3.731   5.718  -1.191  1.00  0.00           C
ATOM    267  C   ASP A  18       3.340   4.314  -0.732  1.00  0.00           C
ATOM    268  O   ASP A  18       4.092   3.633  -0.063  1.00  0.00           O
ATOM    269  CB  ASP A  18       4.307   6.527  -0.029  1.00  0.00           C
ATOM    270  CG  ASP A  18       5.145   7.682  -0.579  1.00  0.00           C
ATOM    271  OD1 ASP A  18       4.609   8.464  -1.348  1.00  0.00           O
ATOM    272  OD2 ASP A  18       6.309   7.764  -0.223  1.00  0.00           O
ATOM      0  H   ASP A  18       2.539   6.824  -2.575  1.00  0.00           H   new
ATOM      0  HA  ASP A  18       4.457   5.604  -1.996  1.00  0.00           H   new
ATOM      0  HB2 ASP A  18       3.501   6.913   0.594  1.00  0.00           H   new
ATOM      0  HB3 ASP A  18       4.921   5.887   0.605  1.00  0.00           H   new
ATOM    277  N   LEU A  19       2.167   3.875  -1.095  1.00  0.00           N
ATOM    278  CA  LEU A  19       1.716   2.514  -0.695  1.00  0.00           C
ATOM    279  C   LEU A  19       1.217   1.761  -1.928  1.00  0.00           C
ATOM    280  O   LEU A  19       0.537   2.314  -2.770  1.00  0.00           O
ATOM    281  CB  LEU A  19       0.575   2.750   0.297  1.00  0.00           C
ATOM    282  CG  LEU A  19       0.474   1.565   1.259  1.00  0.00           C
ATOM    283  CD1 LEU A  19       1.703   1.530   2.169  1.00  0.00           C
ATOM    284  CD2 LEU A  19      -0.785   1.716   2.118  1.00  0.00           C
ATOM      0  H   LEU A  19       1.498   4.404  -1.655  1.00  0.00           H   new
ATOM      0  HA  LEU A  19       2.513   1.917  -0.252  1.00  0.00           H   new
ATOM      0  HB2 LEU A  19       0.750   3.670   0.855  1.00  0.00           H   new
ATOM      0  HB3 LEU A  19      -0.366   2.877  -0.239  1.00  0.00           H   new
ATOM      0  HG  LEU A  19       0.422   0.639   0.686  1.00  0.00           H   new
ATOM      0 HD11 LEU A  19       1.626   0.684   2.852  1.00  0.00           H   new
ATOM      0 HD12 LEU A  19       2.602   1.425   1.562  1.00  0.00           H   new
ATOM      0 HD13 LEU A  19       1.758   2.455   2.742  1.00  0.00           H   new
ATOM      0 HD21 LEU A  19      -0.860   0.873   2.805  1.00  0.00           H   new
ATOM      0 HD22 LEU A  19      -0.728   2.644   2.687  1.00  0.00           H   new
ATOM      0 HD23 LEU A  19      -1.664   1.739   1.474  1.00  0.00           H   new
ATOM    296  N   VAL A  20       1.557   0.511  -2.051  1.00  0.00           N
ATOM    297  CA  VAL A  20       1.106  -0.262  -3.242  1.00  0.00           C
ATOM    298  C   VAL A  20       0.686  -1.674  -2.836  1.00  0.00           C
ATOM    299  O   VAL A  20       1.290  -2.293  -1.985  1.00  0.00           O
ATOM    300  CB  VAL A  20       2.329  -0.314  -4.156  1.00  0.00           C
ATOM    301  CG1 VAL A  20       2.810   1.107  -4.451  1.00  0.00           C
ATOM    302  CG2 VAL A  20       3.445  -1.096  -3.462  1.00  0.00           C
ATOM      0  H   VAL A  20       2.125  -0.009  -1.382  1.00  0.00           H   new
ATOM      0  HA  VAL A  20       0.244   0.195  -3.728  1.00  0.00           H   new
ATOM      0  HB  VAL A  20       2.064  -0.806  -5.092  1.00  0.00           H   new
ATOM      0 HG11 VAL A  20       3.683   1.068  -5.103  1.00  0.00           H   new
ATOM      0 HG12 VAL A  20       2.014   1.666  -4.943  1.00  0.00           H   new
ATOM      0 HG13 VAL A  20       3.077   1.602  -3.517  1.00  0.00           H   new
ATOM      0 HG21 VAL A  20       4.320  -1.135  -4.111  1.00  0.00           H   new
ATOM      0 HG22 VAL A  20       3.709  -0.601  -2.527  1.00  0.00           H   new
ATOM      0 HG23 VAL A  20       3.103  -2.109  -3.252  1.00  0.00           H   new
ATOM    312  N   CYS A  21      -0.343  -2.192  -3.447  1.00  0.00           N
ATOM    313  CA  CYS A  21      -0.795  -3.568  -3.104  1.00  0.00           C
ATOM    314  C   CYS A  21       0.235  -4.586  -3.596  1.00  0.00           C
ATOM    315  O   CYS A  21       0.710  -4.510  -4.712  1.00  0.00           O
ATOM    316  CB  CYS A  21      -2.124  -3.738  -3.839  1.00  0.00           C
ATOM    317  SG  CYS A  21      -3.250  -4.716  -2.819  1.00  0.00           S
ATOM      0  H   CYS A  21      -0.890  -1.722  -4.168  1.00  0.00           H   new
ATOM      0  HA  CYS A  21      -0.907  -3.721  -2.031  1.00  0.00           H   new
ATOM      0  HB2 CYS A  21      -2.562  -2.763  -4.052  1.00  0.00           H   new
ATOM      0  HB3 CYS A  21      -1.962  -4.231  -4.798  1.00  0.00           H   new
ATOM    322  N   SER A  22       0.595  -5.532  -2.773  1.00  0.00           N
ATOM    323  CA  SER A  22       1.607  -6.538  -3.204  1.00  0.00           C
ATOM    324  C   SER A  22       1.112  -7.960  -2.935  1.00  0.00           C
ATOM    325  O   SER A  22       0.577  -8.257  -1.879  1.00  0.00           O
ATOM    326  CB  SER A  22       2.844  -6.237  -2.362  1.00  0.00           C
ATOM    327  OG  SER A  22       4.010  -6.484  -3.137  1.00  0.00           O
ATOM      0  H   SER A  22       0.235  -5.652  -1.826  1.00  0.00           H   new
ATOM      0  HA  SER A  22       1.809  -6.477  -4.273  1.00  0.00           H   new
ATOM      0  HB2 SER A  22       2.828  -5.199  -2.029  1.00  0.00           H   new
ATOM      0  HB3 SER A  22       2.849  -6.859  -1.467  1.00  0.00           H   new
ATOM      0  HG  SER A  22       4.771  -6.006  -2.745  1.00  0.00           H   new
ATOM    333  N   SER A  23       1.293  -8.840  -3.887  1.00  0.00           N
ATOM    334  CA  SER A  23       0.850 -10.245  -3.713  1.00  0.00           C
ATOM    335  C   SER A  23       1.728 -10.947  -2.675  1.00  0.00           C
ATOM    336  O   SER A  23       1.338 -11.936  -2.086  1.00  0.00           O
ATOM    337  CB  SER A  23       1.026 -10.888  -5.089  1.00  0.00           C
ATOM    338  OG  SER A  23       2.353 -11.386  -5.206  1.00  0.00           O
ATOM      0  H   SER A  23       1.734  -8.637  -4.784  1.00  0.00           H   new
ATOM      0  HA  SER A  23      -0.179 -10.316  -3.360  1.00  0.00           H   new
ATOM      0  HB2 SER A  23       0.308 -11.698  -5.220  1.00  0.00           H   new
ATOM      0  HB3 SER A  23       0.829 -10.157  -5.873  1.00  0.00           H   new
ATOM      0  HG  SER A  23       2.470 -11.801  -6.086  1.00  0.00           H   new
ATOM    344  N   ARG A  24       2.907 -10.438  -2.442  1.00  0.00           N
ATOM    345  CA  ARG A  24       3.803 -11.072  -1.436  1.00  0.00           C
ATOM    346  C   ARG A  24       3.357 -10.654  -0.039  1.00  0.00           C
ATOM    347  O   ARG A  24       3.246 -11.461   0.863  1.00  0.00           O
ATOM    348  CB  ARG A  24       5.198 -10.525  -1.742  1.00  0.00           C
ATOM    349  CG  ARG A  24       6.252 -11.548  -1.315  1.00  0.00           C
ATOM    350  CD  ARG A  24       6.719 -11.239   0.108  1.00  0.00           C
ATOM    351  NE  ARG A  24       8.133 -10.793  -0.040  1.00  0.00           N
ATOM    352  CZ  ARG A  24       9.023 -11.603  -0.546  1.00  0.00           C
ATOM    353  NH1 ARG A  24       8.982 -12.876  -0.263  1.00  0.00           N
ATOM    354  NH2 ARG A  24       9.955 -11.138  -1.335  1.00  0.00           N
ATOM      0  H   ARG A  24       3.287  -9.612  -2.904  1.00  0.00           H   new
ATOM      0  HA  ARG A  24       3.785 -12.161  -1.478  1.00  0.00           H   new
ATOM      0  HB2 ARG A  24       5.292 -10.313  -2.807  1.00  0.00           H   new
ATOM      0  HB3 ARG A  24       5.355  -9.584  -1.215  1.00  0.00           H   new
ATOM      0  HG2 ARG A  24       5.836 -12.555  -1.362  1.00  0.00           H   new
ATOM      0  HG3 ARG A  24       7.099 -11.521  -2.001  1.00  0.00           H   new
ATOM      0  HD2 ARG A  24       6.106 -10.462   0.565  1.00  0.00           H   new
ATOM      0  HD3 ARG A  24       6.647 -12.119   0.747  1.00  0.00           H   new
ATOM      0  HE  ARG A  24       8.405  -9.855   0.254  1.00  0.00           H   new
ATOM      0 HH11 ARG A  24       8.255 -13.238   0.354  1.00  0.00           H   new
ATOM      0 HH12 ARG A  24       9.677 -13.509  -0.658  1.00  0.00           H   new
ATOM      0 HH21 ARG A  24       9.987 -10.143  -1.555  1.00  0.00           H   new
ATOM      0 HH22 ARG A  24      10.651 -11.770  -1.731  1.00  0.00           H   new
ATOM    368  N   TRP A  25       3.074  -9.396   0.134  1.00  0.00           N
ATOM    369  CA  TRP A  25       2.604  -8.912   1.457  1.00  0.00           C
ATOM    370  C   TRP A  25       1.086  -9.090   1.544  1.00  0.00           C
ATOM    371  O   TRP A  25       0.494  -8.966   2.596  1.00  0.00           O
ATOM    372  CB  TRP A  25       2.996  -7.436   1.500  1.00  0.00           C
ATOM    373  CG  TRP A  25       4.465  -7.312   1.252  1.00  0.00           C
ATOM    374  CD1 TRP A  25       5.029  -6.800   0.132  1.00  0.00           C
ATOM    375  CD2 TRP A  25       5.567  -7.701   2.120  1.00  0.00           C
ATOM    376  NE1 TRP A  25       6.403  -6.848   0.264  1.00  0.00           N
ATOM    377  CE2 TRP A  25       6.781  -7.393   1.466  1.00  0.00           C
ATOM    378  CE3 TRP A  25       5.633  -8.284   3.398  1.00  0.00           C
ATOM    379  CZ2 TRP A  25       8.013  -7.650   2.049  1.00  0.00           C
ATOM    380  CZ3 TRP A  25       6.878  -8.546   3.994  1.00  0.00           C
ATOM    381  CH2 TRP A  25       8.067  -8.230   3.319  1.00  0.00           C
ATOM      0  H   TRP A  25       3.149  -8.679  -0.588  1.00  0.00           H   new
ATOM      0  HA  TRP A  25       3.039  -9.457   2.295  1.00  0.00           H   new
ATOM      0  HB2 TRP A  25       2.439  -6.877   0.748  1.00  0.00           H   new
ATOM      0  HB3 TRP A  25       2.741  -7.007   2.469  1.00  0.00           H   new
ATOM      0  HD1 TRP A  25       4.493  -6.417  -0.724  1.00  0.00           H   new
ATOM      0  HE1 TRP A  25       7.058  -6.518  -0.446  1.00  0.00           H   new
ATOM      0  HE3 TRP A  25       4.723  -8.531   3.924  1.00  0.00           H   new
ATOM      0  HZ2 TRP A  25       8.924  -7.403   1.525  1.00  0.00           H   new
ATOM      0  HZ3 TRP A  25       6.920  -8.993   4.976  1.00  0.00           H   new
ATOM      0  HH2 TRP A  25       9.022  -8.435   3.780  1.00  0.00           H   new
ATOM    392  N   LYS A  26       0.460  -9.399   0.436  1.00  0.00           N
ATOM    393  CA  LYS A  26      -1.015  -9.616   0.423  1.00  0.00           C
ATOM    394  C   LYS A  26      -1.769  -8.321   0.741  1.00  0.00           C
ATOM    395  O   LYS A  26      -2.879  -8.355   1.232  1.00  0.00           O
ATOM    396  CB  LYS A  26      -1.257 -10.702   1.493  1.00  0.00           C
ATOM    397  CG  LYS A  26      -1.783 -10.095   2.809  1.00  0.00           C
ATOM    398  CD  LYS A  26      -1.071 -10.724   4.009  1.00  0.00           C
ATOM    399  CE  LYS A  26      -0.871 -12.227   3.780  1.00  0.00           C
ATOM    400  NZ  LYS A  26       0.581 -12.381   3.492  1.00  0.00           N
ATOM      0  H   LYS A  26       0.916  -9.511  -0.470  1.00  0.00           H   new
ATOM      0  HA  LYS A  26      -1.381  -9.925  -0.556  1.00  0.00           H   new
ATOM      0  HB2 LYS A  26      -1.974 -11.432   1.116  1.00  0.00           H   new
ATOM      0  HB3 LYS A  26      -0.328 -11.238   1.685  1.00  0.00           H   new
ATOM      0  HG2 LYS A  26      -1.624  -9.017   2.808  1.00  0.00           H   new
ATOM      0  HG3 LYS A  26      -2.858 -10.259   2.889  1.00  0.00           H   new
ATOM      0  HD2 LYS A  26      -0.106 -10.241   4.162  1.00  0.00           H   new
ATOM      0  HD3 LYS A  26      -1.656 -10.562   4.914  1.00  0.00           H   new
ATOM      0  HE2 LYS A  26      -1.163 -12.803   4.658  1.00  0.00           H   new
ATOM      0  HE3 LYS A  26      -1.479 -12.584   2.949  1.00  0.00           H   new
ATOM      0  HZ1 LYS A  26       0.715 -13.116   2.768  1.00  0.00           H   new
ATOM      0  HZ2 LYS A  26       0.964 -11.479   3.144  1.00  0.00           H   new
ATOM      0  HZ3 LYS A  26       1.080 -12.656   4.362  1.00  0.00           H   new
ATOM    414  N   TRP A  27      -1.192  -7.182   0.474  1.00  0.00           N
ATOM    415  CA  TRP A  27      -1.912  -5.918   0.786  1.00  0.00           C
ATOM    416  C   TRP A  27      -1.080  -4.690   0.411  1.00  0.00           C
ATOM    417  O   TRP A  27      -0.044  -4.789  -0.215  1.00  0.00           O
ATOM    418  CB  TRP A  27      -2.153  -5.957   2.304  1.00  0.00           C
ATOM    419  CG  TRP A  27      -0.860  -6.180   3.041  1.00  0.00           C
ATOM    420  CD1 TRP A  27       0.303  -5.533   2.797  1.00  0.00           C
ATOM    421  CD2 TRP A  27      -0.589  -7.075   4.167  1.00  0.00           C
ATOM    422  NE1 TRP A  27       1.267  -5.993   3.672  1.00  0.00           N
ATOM    423  CE2 TRP A  27       0.769  -6.935   4.534  1.00  0.00           C
ATOM    424  CE3 TRP A  27      -1.375  -7.988   4.891  1.00  0.00           C
ATOM    425  CZ2 TRP A  27       1.330  -7.666   5.573  1.00  0.00           C
ATOM    426  CZ3 TRP A  27      -0.813  -8.728   5.947  1.00  0.00           C
ATOM    427  CH2 TRP A  27       0.538  -8.567   6.286  1.00  0.00           C
ATOM      0  H   TRP A  27      -0.267  -7.073   0.059  1.00  0.00           H   new
ATOM      0  HA  TRP A  27      -2.840  -5.841   0.219  1.00  0.00           H   new
ATOM      0  HB2 TRP A  27      -2.606  -5.021   2.630  1.00  0.00           H   new
ATOM      0  HB3 TRP A  27      -2.857  -6.753   2.545  1.00  0.00           H   new
ATOM      0  HD1 TRP A  27       0.453  -4.778   2.039  1.00  0.00           H   new
ATOM      0  HE1 TRP A  27       2.235  -5.670   3.676  1.00  0.00           H   new
ATOM      0  HE3 TRP A  27      -2.416  -8.122   4.635  1.00  0.00           H   new
ATOM      0  HZ2 TRP A  27       2.372  -7.538   5.827  1.00  0.00           H   new
ATOM      0  HZ3 TRP A  27      -1.426  -9.424   6.500  1.00  0.00           H   new
ATOM      0  HH2 TRP A  27       0.965  -9.139   7.097  1.00  0.00           H   new
ATOM    438  N   CYS A  28      -1.527  -3.529   0.816  1.00  0.00           N
ATOM    439  CA  CYS A  28      -0.770  -2.280   0.518  1.00  0.00           C
ATOM    440  C   CYS A  28       0.512  -2.256   1.353  1.00  0.00           C
ATOM    441  O   CYS A  28       0.473  -2.348   2.564  1.00  0.00           O
ATOM    442  CB  CYS A  28      -1.708  -1.146   0.937  1.00  0.00           C
ATOM    443  SG  CYS A  28      -3.122  -1.089  -0.184  1.00  0.00           S
ATOM      0  H   CYS A  28      -2.389  -3.394   1.344  1.00  0.00           H   new
ATOM      0  HA  CYS A  28      -0.479  -2.197  -0.529  1.00  0.00           H   new
ATOM      0  HB2 CYS A  28      -2.048  -1.301   1.961  1.00  0.00           H   new
ATOM      0  HB3 CYS A  28      -1.177  -0.194   0.918  1.00  0.00           H   new
ATOM    448  N   VAL A  29       1.647  -2.148   0.724  1.00  0.00           N
ATOM    449  CA  VAL A  29       2.917  -2.138   1.501  1.00  0.00           C
ATOM    450  C   VAL A  29       3.547  -0.748   1.512  1.00  0.00           C
ATOM    451  O   VAL A  29       3.468  -0.009   0.550  1.00  0.00           O
ATOM    452  CB  VAL A  29       3.835  -3.119   0.780  1.00  0.00           C
ATOM    453  CG1 VAL A  29       3.228  -4.521   0.835  1.00  0.00           C
ATOM    454  CG2 VAL A  29       3.993  -2.688  -0.680  1.00  0.00           C
ATOM      0  H   VAL A  29       1.751  -2.067  -0.287  1.00  0.00           H   new
ATOM      0  HA  VAL A  29       2.746  -2.413   2.542  1.00  0.00           H   new
ATOM      0  HB  VAL A  29       4.811  -3.128   1.265  1.00  0.00           H   new
ATOM      0 HG11 VAL A  29       3.884  -5.222   0.320  1.00  0.00           H   new
ATOM      0 HG12 VAL A  29       3.114  -4.828   1.875  1.00  0.00           H   new
ATOM      0 HG13 VAL A  29       2.252  -4.514   0.350  1.00  0.00           H   new
ATOM      0 HG21 VAL A  29       4.649  -3.388  -1.197  1.00  0.00           H   new
ATOM      0 HG22 VAL A  29       3.017  -2.680  -1.165  1.00  0.00           H   new
ATOM      0 HG23 VAL A  29       4.426  -1.688  -0.719  1.00  0.00           H   new
ATOM    464  N   LEU A  30       4.185  -0.395   2.591  1.00  0.00           N
ATOM    465  CA  LEU A  30       4.836   0.939   2.668  1.00  0.00           C
ATOM    466  C   LEU A  30       5.800   1.119   1.491  1.00  0.00           C
ATOM    467  O   LEU A  30       6.979   0.840   1.591  1.00  0.00           O
ATOM    468  CB  LEU A  30       5.593   0.949   4.000  1.00  0.00           C
ATOM    469  CG  LEU A  30       6.332  -0.379   4.205  1.00  0.00           C
ATOM    470  CD1 LEU A  30       7.842  -0.133   4.179  1.00  0.00           C
ATOM    471  CD2 LEU A  30       5.939  -0.969   5.561  1.00  0.00           C
ATOM      0  H   LEU A  30       4.284  -0.975   3.424  1.00  0.00           H   new
ATOM      0  HA  LEU A  30       4.114   1.754   2.616  1.00  0.00           H   new
ATOM      0  HB2 LEU A  30       6.305   1.775   4.015  1.00  0.00           H   new
ATOM      0  HB3 LEU A  30       4.895   1.115   4.821  1.00  0.00           H   new
ATOM      0  HG  LEU A  30       6.063  -1.073   3.409  1.00  0.00           H   new
ATOM      0 HD11 LEU A  30       8.367  -1.077   4.325  1.00  0.00           H   new
ATOM      0 HD12 LEU A  30       8.124   0.295   3.217  1.00  0.00           H   new
ATOM      0 HD13 LEU A  30       8.112   0.559   4.977  1.00  0.00           H   new
ATOM      0 HD21 LEU A  30       6.462  -1.914   5.712  1.00  0.00           H   new
ATOM      0 HD22 LEU A  30       6.212  -0.272   6.354  1.00  0.00           H   new
ATOM      0 HD23 LEU A  30       4.863  -1.142   5.585  1.00  0.00           H   new