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+   -143:sc= -0.0722   (180deg=-0.704)
USER  MOD Single : A   6 MET CE  :methyl -141:sc=   -9.06!  (180deg=-17.6!)
USER  MOD Single : A   8 LYS NZ  :NH3+    180:sc=       0   (180deg=0)
USER  MOD Single : A  10 LYS NZ  :NH3+    149:sc=  -0.153   (180deg=-0.96)
USER  MOD Single : A  11 ASN     :      amide:sc=       0  X(o=0,f=-0.026)
USER  MOD Single : A  12 SER OG  :   rot   74:sc=   0.239
USER  MOD Single : A  13 ASN     :      amide:sc=       0  X(o=0,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  -80:sc=  -0.883
USER  MOD Single : A  23 SER OG  :   rot  180:sc=       0
USER  MOD Single : A  26 LYS NZ  :NH3+    180:sc=       0   (180deg=0)
USER  MOD -----------------------------------------------------------------
ATOM     35  N   LYS A   4      -4.863   1.774   4.224  1.00  0.00           N
ATOM     36  CA  LYS A   4      -3.633   1.803   5.060  1.00  0.00           C
ATOM     37  C   LYS A   4      -2.915   0.455   4.962  1.00  0.00           C
ATOM     38  O   LYS A   4      -3.438  -0.495   4.415  1.00  0.00           O
ATOM     39  CB  LYS A   4      -4.132   2.052   6.484  1.00  0.00           C
ATOM     40  CG  LYS A   4      -3.292   3.152   7.134  1.00  0.00           C
ATOM     41  CD  LYS A   4      -2.465   2.555   8.273  1.00  0.00           C
ATOM     42  CE  LYS A   4      -3.204   2.759   9.597  1.00  0.00           C
ATOM     43  NZ  LYS A   4      -3.070   4.213   9.892  1.00  0.00           N
ATOM      0  HA  LYS A   4      -2.924   2.568   4.744  1.00  0.00           H   new
ATOM      0  HB2 LYS A   4      -5.182   2.344   6.467  1.00  0.00           H   new
ATOM      0  HB3 LYS A   4      -4.066   1.135   7.070  1.00  0.00           H   new
ATOM      0  HG2 LYS A   4      -2.635   3.608   6.394  1.00  0.00           H   new
ATOM      0  HG3 LYS A   4      -3.939   3.942   7.515  1.00  0.00           H   new
ATOM      0  HD2 LYS A   4      -2.297   1.492   8.097  1.00  0.00           H   new
ATOM      0  HD3 LYS A   4      -1.485   3.030   8.314  1.00  0.00           H   new
ATOM      0  HE2 LYS A   4      -4.251   2.468   9.514  1.00  0.00           H   new
ATOM      0  HE3 LYS A   4      -2.767   2.153  10.391  1.00  0.00           H   new
ATOM      0  HZ1 LYS A   4      -2.949   4.350  10.916  1.00  0.00           H   new
ATOM      0  HZ2 LYS A   4      -2.242   4.594   9.392  1.00  0.00           H   new
ATOM      0  HZ3 LYS A   4      -3.926   4.712   9.575  1.00  0.00           H   new
ATOM     57  N   PHE A   5      -1.717   0.362   5.467  1.00  0.00           N
ATOM     58  CA  PHE A   5      -0.976  -0.925   5.378  1.00  0.00           C
ATOM     59  C   PHE A   5      -1.880  -2.100   5.747  1.00  0.00           C
ATOM     60  O   PHE A   5      -2.756  -1.988   6.579  1.00  0.00           O
ATOM     61  CB  PHE A   5       0.170  -0.809   6.382  1.00  0.00           C
ATOM     62  CG  PHE A   5       1.106  -1.989   6.223  1.00  0.00           C
ATOM     63  CD1 PHE A   5       1.690  -2.260   4.977  1.00  0.00           C
ATOM     64  CD2 PHE A   5       1.404  -2.803   7.324  1.00  0.00           C
ATOM     65  CE1 PHE A   5       2.567  -3.344   4.836  1.00  0.00           C
ATOM     66  CE2 PHE A   5       2.284  -3.882   7.180  1.00  0.00           C
ATOM     67  CZ  PHE A   5       2.863  -4.150   5.936  1.00  0.00           C
ATOM      0  H   PHE A   5      -1.221   1.120   5.936  1.00  0.00           H   new
ATOM      0  HA  PHE A   5      -0.617  -1.107   4.365  1.00  0.00           H   new
ATOM      0  HB2 PHE A   5       0.713   0.123   6.223  1.00  0.00           H   new
ATOM      0  HB3 PHE A   5      -0.225  -0.779   7.398  1.00  0.00           H   new
ATOM      0  HD1 PHE A   5       1.464  -1.634   4.127  1.00  0.00           H   new
ATOM      0  HD2 PHE A   5       0.954  -2.598   8.284  1.00  0.00           H   new
ATOM      0  HE1 PHE A   5       3.014  -3.556   3.876  1.00  0.00           H   new
ATOM      0  HE2 PHE A   5       2.516  -4.507   8.030  1.00  0.00           H   new
ATOM      0  HZ  PHE A   5       3.541  -4.983   5.826  1.00  0.00           H   new
ATOM     77  N   MET A   6      -1.653  -3.227   5.132  1.00  0.00           N
ATOM     78  CA  MET A   6      -2.460  -4.449   5.421  1.00  0.00           C
ATOM     79  C   MET A   6      -3.887  -4.321   4.881  1.00  0.00           C
ATOM     80  O   MET A   6      -4.757  -5.096   5.224  1.00  0.00           O
ATOM     81  CB  MET A   6      -2.463  -4.602   6.946  1.00  0.00           C
ATOM     82  CG  MET A   6      -1.030  -4.496   7.473  1.00  0.00           C
ATOM     83  SD  MET A   6      -0.847  -5.538   8.943  1.00  0.00           S
ATOM     84  CE  MET A   6       0.845  -6.096   8.616  1.00  0.00           C
ATOM      0  H   MET A   6      -0.928  -3.356   4.427  1.00  0.00           H   new
ATOM      0  HA  MET A   6      -2.031  -5.324   4.932  1.00  0.00           H   new
ATOM      0  HB2 MET A   6      -3.086  -3.830   7.398  1.00  0.00           H   new
ATOM      0  HB3 MET A   6      -2.894  -5.564   7.225  1.00  0.00           H   new
ATOM      0  HG2 MET A   6      -0.324  -4.808   6.703  1.00  0.00           H   new
ATOM      0  HG3 MET A   6      -0.797  -3.460   7.718  1.00  0.00           H   new
ATOM      0  HE1 MET A   6       0.941  -7.146   8.892  1.00  0.00           H   new
ATOM      0  HE2 MET A   6       1.069  -5.977   7.556  1.00  0.00           H   new
ATOM      0  HE3 MET A   6       1.544  -5.501   9.203  1.00  0.00           H   new
ATOM     94  N   TRP A   7      -4.134  -3.365   4.033  1.00  0.00           N
ATOM     95  CA  TRP A   7      -5.507  -3.214   3.472  1.00  0.00           C
ATOM     96  C   TRP A   7      -5.644  -3.998   2.164  1.00  0.00           C
ATOM     97  O   TRP A   7      -4.860  -3.838   1.249  1.00  0.00           O
ATOM     98  CB  TRP A   7      -5.668  -1.722   3.201  1.00  0.00           C
ATOM     99  CG  TRP A   7      -6.184  -1.048   4.423  1.00  0.00           C
ATOM    100  CD1 TRP A   7      -5.698  -1.214   5.673  1.00  0.00           C
ATOM    101  CD2 TRP A   7      -7.274  -0.104   4.527  1.00  0.00           C
ATOM    102  NE1 TRP A   7      -6.436  -0.423   6.540  1.00  0.00           N
ATOM    103  CE2 TRP A   7      -7.416   0.279   5.877  1.00  0.00           C
ATOM    104  CE3 TRP A   7      -8.145   0.450   3.583  1.00  0.00           C
ATOM    105  CZ2 TRP A   7      -8.390   1.182   6.281  1.00  0.00           C
ATOM    106  CZ3 TRP A   7      -9.133   1.366   3.979  1.00  0.00           C
ATOM    107  CH2 TRP A   7      -9.256   1.732   5.329  1.00  0.00           C
ATOM      0  H   TRP A   7      -3.450  -2.684   3.704  1.00  0.00           H   new
ATOM      0  HA  TRP A   7      -6.265  -3.595   4.157  1.00  0.00           H   new
ATOM      0  HB2 TRP A   7      -4.711  -1.289   2.911  1.00  0.00           H   new
ATOM      0  HB3 TRP A   7      -6.354  -1.565   2.369  1.00  0.00           H   new
ATOM      0  HD1 TRP A   7      -4.874  -1.855   5.950  1.00  0.00           H   new
ATOM      0  HE1 TRP A   7      -6.273  -0.368   7.545  1.00  0.00           H   new
ATOM      0  HE3 TRP A   7      -8.057   0.172   2.543  1.00  0.00           H   new
ATOM      0  HZ2 TRP A   7      -8.479   1.458   7.321  1.00  0.00           H   new
ATOM      0  HZ3 TRP A   7      -9.800   1.790   3.243  1.00  0.00           H   new
ATOM      0  HH2 TRP A   7     -10.017   2.436   5.632  1.00  0.00           H   new
ATOM    118  N   LYS A   8      -6.642  -4.833   2.062  1.00  0.00           N
ATOM    119  CA  LYS A   8      -6.833  -5.608   0.804  1.00  0.00           C
ATOM    120  C   LYS A   8      -6.695  -4.667  -0.393  1.00  0.00           C
ATOM    121  O   LYS A   8      -7.274  -3.598  -0.423  1.00  0.00           O
ATOM    122  CB  LYS A   8      -8.254  -6.168   0.890  1.00  0.00           C
ATOM    123  CG  LYS A   8      -8.534  -7.041  -0.334  1.00  0.00           C
ATOM    124  CD  LYS A   8      -9.384  -8.246   0.077  1.00  0.00           C
ATOM    125  CE  LYS A   8     -10.376  -8.571  -1.042  1.00  0.00           C
ATOM    126  NZ  LYS A   8     -11.589  -9.082  -0.346  1.00  0.00           N
ATOM      0  H   LYS A   8      -7.331  -5.011   2.793  1.00  0.00           H   new
ATOM      0  HA  LYS A   8      -6.098  -6.404   0.682  1.00  0.00           H   new
ATOM      0  HB2 LYS A   8      -8.371  -6.754   1.802  1.00  0.00           H   new
ATOM      0  HB3 LYS A   8      -8.975  -5.352   0.941  1.00  0.00           H   new
ATOM      0  HG2 LYS A   8      -9.053  -6.460  -1.096  1.00  0.00           H   new
ATOM      0  HG3 LYS A   8      -7.596  -7.378  -0.775  1.00  0.00           H   new
ATOM      0  HD2 LYS A   8      -8.745  -9.107   0.273  1.00  0.00           H   new
ATOM      0  HD3 LYS A   8      -9.919  -8.030   1.002  1.00  0.00           H   new
ATOM      0  HE2 LYS A   8     -10.605  -7.686  -1.636  1.00  0.00           H   new
ATOM      0  HE3 LYS A   8      -9.970  -9.317  -1.725  1.00  0.00           H   new
ATOM      0  HZ1 LYS A   8     -12.315  -9.326  -1.049  1.00  0.00           H   new
ATOM      0  HZ2 LYS A   8     -11.342  -9.928   0.205  1.00  0.00           H   new
ATOM      0  HZ3 LYS A   8     -11.958  -8.348   0.292  1.00  0.00           H   new
ATOM    140  N   CYS A   9      -5.921  -5.039  -1.370  1.00  0.00           N
ATOM    141  CA  CYS A   9      -5.738  -4.144  -2.548  1.00  0.00           C
ATOM    142  C   CYS A   9      -6.159  -4.845  -3.840  1.00  0.00           C
ATOM    143  O   CYS A   9      -6.462  -6.022  -3.856  1.00  0.00           O
ATOM    144  CB  CYS A   9      -4.241  -3.846  -2.572  1.00  0.00           C
ATOM    145  SG  CYS A   9      -3.323  -5.405  -2.578  1.00  0.00           S
ATOM      0  H   CYS A   9      -5.408  -5.920  -1.407  1.00  0.00           H   new
ATOM      0  HA  CYS A   9      -6.346  -3.242  -2.474  1.00  0.00           H   new
ATOM      0  HB2 CYS A   9      -3.989  -3.259  -3.455  1.00  0.00           H   new
ATOM      0  HB3 CYS A   9      -3.963  -3.250  -1.703  1.00  0.00           H   new
ATOM    150  N   LYS A  10      -6.169  -4.124  -4.926  1.00  0.00           N
ATOM    151  CA  LYS A  10      -6.554  -4.733  -6.230  1.00  0.00           C
ATOM    152  C   LYS A  10      -5.354  -4.715  -7.171  1.00  0.00           C
ATOM    153  O   LYS A  10      -5.233  -5.529  -8.063  1.00  0.00           O
ATOM    154  CB  LYS A  10      -7.676  -3.842  -6.768  1.00  0.00           C
ATOM    155  CG  LYS A  10      -7.099  -2.525  -7.298  1.00  0.00           C
ATOM    156  CD  LYS A  10      -7.001  -2.588  -8.824  1.00  0.00           C
ATOM    157  CE  LYS A  10      -8.389  -2.376  -9.432  1.00  0.00           C
ATOM    158  NZ  LYS A  10      -8.692  -0.936  -9.200  1.00  0.00           N
ATOM      0  H   LYS A  10      -5.926  -3.134  -4.967  1.00  0.00           H   new
ATOM      0  HA  LYS A  10      -6.877  -5.770  -6.134  1.00  0.00           H   new
ATOM      0  HB2 LYS A  10      -8.211  -4.360  -7.564  1.00  0.00           H   new
ATOM      0  HB3 LYS A  10      -8.399  -3.639  -5.978  1.00  0.00           H   new
ATOM      0  HG2 LYS A  10      -7.733  -1.691  -6.998  1.00  0.00           H   new
ATOM      0  HG3 LYS A  10      -6.114  -2.348  -6.867  1.00  0.00           H   new
ATOM      0  HD2 LYS A  10      -6.313  -1.825  -9.187  1.00  0.00           H   new
ATOM      0  HD3 LYS A  10      -6.600  -3.553  -9.134  1.00  0.00           H   new
ATOM      0  HE2 LYS A  10      -8.395  -2.615 -10.495  1.00  0.00           H   new
ATOM      0  HE3 LYS A  10      -9.131  -3.018  -8.957  1.00  0.00           H   new
ATOM      0  HZ1 LYS A  10      -9.294  -0.580  -9.970  1.00  0.00           H   new
ATOM      0  HZ2 LYS A  10      -9.189  -0.828  -8.293  1.00  0.00           H   new
ATOM      0  HZ3 LYS A  10      -7.805  -0.394  -9.175  1.00  0.00           H   new
ATOM    172  N   ASN A  11      -4.468  -3.783  -6.966  1.00  0.00           N
ATOM    173  CA  ASN A  11      -3.260  -3.681  -7.832  1.00  0.00           C
ATOM    174  C   ASN A  11      -2.418  -2.474  -7.410  1.00  0.00           C
ATOM    175  O   ASN A  11      -1.204  -2.496  -7.476  1.00  0.00           O
ATOM    176  CB  ASN A  11      -3.801  -3.483  -9.248  1.00  0.00           C
ATOM    177  CG  ASN A  11      -2.637  -3.273 -10.217  1.00  0.00           C
ATOM    178  OD1 ASN A  11      -1.711  -4.059 -10.253  1.00  0.00           O
ATOM    179  ND2 ASN A  11      -2.646  -2.238 -11.012  1.00  0.00           N
ATOM      0  H   ASN A  11      -4.529  -3.081  -6.229  1.00  0.00           H   new
ATOM      0  HA  ASN A  11      -2.622  -4.562  -7.760  1.00  0.00           H   new
ATOM      0  HB2 ASN A  11      -4.386  -4.352  -9.549  1.00  0.00           H   new
ATOM      0  HB3 ASN A  11      -4.470  -2.623  -9.276  1.00  0.00           H   new
ATOM      0 HD21 ASN A  11      -1.876  -2.089 -11.664  1.00  0.00           H   new
ATOM      0 HD22 ASN A  11      -3.423  -1.578 -10.982  1.00  0.00           H   new
ATOM    186  N   SER A  12      -3.055  -1.420  -6.974  1.00  0.00           N
ATOM    187  CA  SER A  12      -2.303  -0.208  -6.546  1.00  0.00           C
ATOM    188  C   SER A  12      -3.260   0.970  -6.339  1.00  0.00           C
ATOM    189  O   SER A  12      -2.988   1.877  -5.579  1.00  0.00           O
ATOM    190  CB  SER A  12      -1.338   0.089  -7.693  1.00  0.00           C
ATOM    191  OG  SER A  12       0.000  -0.023  -7.223  1.00  0.00           O
ATOM      0  H   SER A  12      -4.069  -1.348  -6.896  1.00  0.00           H   new
ATOM      0  HA  SER A  12      -1.782  -0.364  -5.602  1.00  0.00           H   new
ATOM      0  HB2 SER A  12      -1.506  -0.607  -8.515  1.00  0.00           H   new
ATOM      0  HB3 SER A  12      -1.516   1.091  -8.083  1.00  0.00           H   new
ATOM      0  HG  SER A  12       0.225  -0.969  -7.098  1.00  0.00           H   new
ATOM    197  N   ASN A  13      -4.378   0.965  -7.014  1.00  0.00           N
ATOM    198  CA  ASN A  13      -5.348   2.089  -6.861  1.00  0.00           C
ATOM    199  C   ASN A  13      -6.049   2.010  -5.501  1.00  0.00           C
ATOM    200  O   ASN A  13      -6.847   2.859  -5.155  1.00  0.00           O
ATOM    201  CB  ASN A  13      -6.357   1.894  -7.993  1.00  0.00           C
ATOM    202  CG  ASN A  13      -6.056   2.882  -9.121  1.00  0.00           C
ATOM    203  OD1 ASN A  13      -6.916   3.640  -9.525  1.00  0.00           O
ATOM    204  ND2 ASN A  13      -4.865   2.904  -9.653  1.00  0.00           N
ATOM      0  H   ASN A  13      -4.662   0.232  -7.664  1.00  0.00           H   new
ATOM      0  HA  ASN A  13      -4.860   3.062  -6.908  1.00  0.00           H   new
ATOM      0  HB2 ASN A  13      -6.306   0.872  -8.368  1.00  0.00           H   new
ATOM      0  HB3 ASN A  13      -7.370   2.047  -7.622  1.00  0.00           H   new
ATOM      0 HD21 ASN A  13      -4.656   3.557 -10.408  1.00  0.00           H   new
ATOM      0 HD22 ASN A  13      -4.143   2.268  -9.314  1.00  0.00           H   new
ATOM    211  N   ASP A  14      -5.763   0.998  -4.729  1.00  0.00           N
ATOM    212  CA  ASP A  14      -6.420   0.868  -3.396  1.00  0.00           C
ATOM    213  C   ASP A  14      -5.463   1.303  -2.283  1.00  0.00           C
ATOM    214  O   ASP A  14      -5.871   1.557  -1.167  1.00  0.00           O
ATOM    215  CB  ASP A  14      -6.748  -0.620  -3.262  1.00  0.00           C
ATOM    216  CG  ASP A  14      -8.221  -0.855  -3.601  1.00  0.00           C
ATOM    217  OD1 ASP A  14      -8.825   0.033  -4.179  1.00  0.00           O
ATOM    218  OD2 ASP A  14      -8.720  -1.920  -3.277  1.00  0.00           O
ATOM      0  H   ASP A  14      -5.104   0.256  -4.962  1.00  0.00           H   new
ATOM      0  HA  ASP A  14      -7.308   1.495  -3.314  1.00  0.00           H   new
ATOM      0  HB2 ASP A  14      -6.114  -1.204  -3.929  1.00  0.00           H   new
ATOM      0  HB3 ASP A  14      -6.540  -0.958  -2.247  1.00  0.00           H   new
ATOM    223  N   CYS A  15      -4.195   1.381  -2.574  1.00  0.00           N
ATOM    224  CA  CYS A  15      -3.211   1.785  -1.534  1.00  0.00           C
ATOM    225  C   CYS A  15      -3.055   3.306  -1.496  1.00  0.00           C
ATOM    226  O   CYS A  15      -3.389   4.000  -2.436  1.00  0.00           O
ATOM    227  CB  CYS A  15      -1.916   1.116  -1.972  1.00  0.00           C
ATOM    228  SG  CYS A  15      -2.233  -0.646  -2.220  1.00  0.00           S
ATOM      0  H   CYS A  15      -3.797   1.181  -3.492  1.00  0.00           H   new
ATOM      0  HA  CYS A  15      -3.515   1.489  -0.530  1.00  0.00           H   new
ATOM      0  HB2 CYS A  15      -1.550   1.568  -2.894  1.00  0.00           H   new
ATOM      0  HB3 CYS A  15      -1.142   1.259  -1.218  1.00  0.00           H   new
ATOM    233  N   CYS A  16      -2.547   3.827  -0.413  1.00  0.00           N
ATOM    234  CA  CYS A  16      -2.365   5.307  -0.309  1.00  0.00           C
ATOM    235  C   CYS A  16      -0.937   5.709  -0.680  1.00  0.00           C
ATOM    236  O   CYS A  16      -0.082   4.876  -0.907  1.00  0.00           O
ATOM    237  CB  CYS A  16      -2.649   5.659   1.147  1.00  0.00           C
ATOM    238  SG  CYS A  16      -3.993   6.872   1.229  1.00  0.00           S
ATOM      0  H   CYS A  16      -2.250   3.295   0.405  1.00  0.00           H   new
ATOM      0  HA  CYS A  16      -3.030   5.835  -0.992  1.00  0.00           H   new
ATOM      0  HB2 CYS A  16      -2.922   4.761   1.702  1.00  0.00           H   new
ATOM      0  HB3 CYS A  16      -1.752   6.063   1.615  1.00  0.00           H   new
ATOM      0  HG  CYS A  16      -4.235   7.169   2.471  1.00  0.00           H   new
ATOM    243  N   LYS A  17      -0.676   6.987  -0.740  1.00  0.00           N
ATOM    244  CA  LYS A  17       0.689   7.458  -1.094  1.00  0.00           C
ATOM    245  C   LYS A  17       1.741   6.609  -0.379  1.00  0.00           C
ATOM    246  O   LYS A  17       1.541   6.165   0.734  1.00  0.00           O
ATOM    247  CB  LYS A  17       0.743   8.906  -0.608  1.00  0.00           C
ATOM    248  CG  LYS A  17       1.986   9.589  -1.182  1.00  0.00           C
ATOM    249  CD  LYS A  17       1.946   9.518  -2.709  1.00  0.00           C
ATOM    250  CE  LYS A  17       2.692  10.718  -3.295  1.00  0.00           C
ATOM    251  NZ  LYS A  17       3.152  10.263  -4.637  1.00  0.00           N
ATOM      0  H   LYS A  17      -1.354   7.727  -0.558  1.00  0.00           H   new
ATOM      0  HA  LYS A  17       0.892   7.379  -2.162  1.00  0.00           H   new
ATOM      0  HB2 LYS A  17      -0.155   9.439  -0.920  1.00  0.00           H   new
ATOM      0  HB3 LYS A  17       0.769   8.935   0.481  1.00  0.00           H   new
ATOM      0  HG2 LYS A  17       2.026  10.628  -0.856  1.00  0.00           H   new
ATOM      0  HG3 LYS A  17       2.887   9.103  -0.808  1.00  0.00           H   new
ATOM      0  HD2 LYS A  17       2.402   8.590  -3.053  1.00  0.00           H   new
ATOM      0  HD3 LYS A  17       0.913   9.513  -3.057  1.00  0.00           H   new
ATOM      0  HE2 LYS A  17       2.040  11.588  -3.374  1.00  0.00           H   new
ATOM      0  HE3 LYS A  17       3.534  11.006  -2.665  1.00  0.00           H   new
ATOM      0  HZ1 LYS A  17       3.674  11.032  -5.104  1.00  0.00           H   new
ATOM      0  HZ2 LYS A  17       3.775   9.438  -4.529  1.00  0.00           H   new
ATOM      0  HZ3 LYS A  17       2.329  10.002  -5.216  1.00  0.00           H   new
ATOM    265  N   ASP A  18       2.856   6.375  -1.011  1.00  0.00           N
ATOM    266  CA  ASP A  18       3.912   5.548  -0.364  1.00  0.00           C
ATOM    267  C   ASP A  18       3.364   4.155  -0.053  1.00  0.00           C
ATOM    268  O   ASP A  18       3.863   3.460   0.810  1.00  0.00           O
ATOM    269  CB  ASP A  18       4.263   6.289   0.924  1.00  0.00           C
ATOM    270  CG  ASP A  18       5.544   7.100   0.718  1.00  0.00           C
ATOM    271  OD1 ASP A  18       6.139   6.972  -0.339  1.00  0.00           O
ATOM    272  OD2 ASP A  18       5.908   7.834   1.622  1.00  0.00           O
ATOM      0  H   ASP A  18       3.082   6.719  -1.944  1.00  0.00           H   new
ATOM      0  HA  ASP A  18       4.785   5.413  -1.002  1.00  0.00           H   new
ATOM      0  HB2 ASP A  18       3.445   6.950   1.210  1.00  0.00           H   new
ATOM      0  HB3 ASP A  18       4.398   5.578   1.739  1.00  0.00           H   new
ATOM    277  N   LEU A  19       2.338   3.741  -0.749  1.00  0.00           N
ATOM    278  CA  LEU A  19       1.760   2.391  -0.490  1.00  0.00           C
ATOM    279  C   LEU A  19       1.215   1.785  -1.785  1.00  0.00           C
ATOM    280  O   LEU A  19       0.644   2.467  -2.612  1.00  0.00           O
ATOM    281  CB  LEU A  19       0.637   2.624   0.521  1.00  0.00           C
ATOM    282  CG  LEU A  19       0.483   1.392   1.417  1.00  0.00           C
ATOM    283  CD1 LEU A  19       1.738   1.212   2.281  1.00  0.00           C
ATOM    284  CD2 LEU A  19      -0.730   1.578   2.330  1.00  0.00           C
ATOM      0  H   LEU A  19       1.877   4.278  -1.483  1.00  0.00           H   new
ATOM      0  HA  LEU A  19       2.504   1.691  -0.110  1.00  0.00           H   new
ATOM      0  HB2 LEU A  19       0.858   3.502   1.128  1.00  0.00           H   new
ATOM      0  HB3 LEU A  19      -0.299   2.825  -0.001  1.00  0.00           H   new
ATOM      0  HG  LEU A  19       0.346   0.511   0.791  1.00  0.00           H   new
ATOM      0 HD11 LEU A  19       1.620   0.333   2.915  1.00  0.00           H   new
ATOM      0 HD12 LEU A  19       2.607   1.080   1.637  1.00  0.00           H   new
ATOM      0 HD13 LEU A  19       1.879   2.094   2.906  1.00  0.00           H   new
ATOM      0 HD21 LEU A  19      -0.842   0.702   2.969  1.00  0.00           H   new
ATOM      0 HD22 LEU A  19      -0.587   2.463   2.949  1.00  0.00           H   new
ATOM      0 HD23 LEU A  19      -1.627   1.701   1.723  1.00  0.00           H   new
ATOM    296  N   VAL A  20       1.395   0.503  -1.966  1.00  0.00           N
ATOM    297  CA  VAL A  20       0.897  -0.156  -3.207  1.00  0.00           C
ATOM    298  C   VAL A  20       0.493  -1.604  -2.923  1.00  0.00           C
ATOM    299  O   VAL A  20       0.960  -2.218  -1.983  1.00  0.00           O
ATOM    300  CB  VAL A  20       2.076  -0.117  -4.178  1.00  0.00           C
ATOM    301  CG1 VAL A  20       2.307   1.320  -4.645  1.00  0.00           C
ATOM    302  CG2 VAL A  20       3.336  -0.632  -3.477  1.00  0.00           C
ATOM      0  H   VAL A  20       1.866  -0.116  -1.306  1.00  0.00           H   new
ATOM      0  HA  VAL A  20       0.016   0.345  -3.608  1.00  0.00           H   new
ATOM      0  HB  VAL A  20       1.855  -0.749  -5.038  1.00  0.00           H   new
ATOM      0 HG11 VAL A  20       3.148   1.347  -5.338  1.00  0.00           H   new
ATOM      0 HG12 VAL A  20       1.412   1.688  -5.147  1.00  0.00           H   new
ATOM      0 HG13 VAL A  20       2.526   1.952  -3.784  1.00  0.00           H   new
ATOM      0 HG21 VAL A  20       4.176  -0.603  -4.171  1.00  0.00           H   new
ATOM      0 HG22 VAL A  20       3.556  -0.002  -2.615  1.00  0.00           H   new
ATOM      0 HG23 VAL A  20       3.174  -1.658  -3.145  1.00  0.00           H   new
ATOM    312  N   CYS A  21      -0.368  -2.156  -3.733  1.00  0.00           N
ATOM    313  CA  CYS A  21      -0.803  -3.565  -3.518  1.00  0.00           C
ATOM    314  C   CYS A  21       0.399  -4.506  -3.613  1.00  0.00           C
ATOM    315  O   CYS A  21       1.262  -4.335  -4.452  1.00  0.00           O
ATOM    316  CB  CYS A  21      -1.790  -3.846  -4.651  1.00  0.00           C
ATOM    317  SG  CYS A  21      -2.511  -5.488  -4.423  1.00  0.00           S
ATOM      0  H   CYS A  21      -0.790  -1.691  -4.537  1.00  0.00           H   new
ATOM      0  HA  CYS A  21      -1.251  -3.717  -2.536  1.00  0.00           H   new
ATOM      0  HB2 CYS A  21      -2.575  -3.090  -4.661  1.00  0.00           H   new
ATOM      0  HB3 CYS A  21      -1.282  -3.790  -5.614  1.00  0.00           H   new
ATOM    322  N   SER A  22       0.472  -5.498  -2.766  1.00  0.00           N
ATOM    323  CA  SER A  22       1.629  -6.431  -2.832  1.00  0.00           C
ATOM    324  C   SER A  22       1.165  -7.876  -2.645  1.00  0.00           C
ATOM    325  O   SER A  22       0.800  -8.286  -1.559  1.00  0.00           O
ATOM    326  CB  SER A  22       2.545  -6.009  -1.686  1.00  0.00           C
ATOM    327  OG  SER A  22       3.821  -5.662  -2.208  1.00  0.00           O
ATOM      0  H   SER A  22      -0.214  -5.700  -2.038  1.00  0.00           H   new
ATOM      0  HA  SER A  22       2.135  -6.387  -3.797  1.00  0.00           H   new
ATOM      0  HB2 SER A  22       2.114  -5.161  -1.154  1.00  0.00           H   new
ATOM      0  HB3 SER A  22       2.643  -6.821  -0.965  1.00  0.00           H   new
ATOM      0  HG  SER A  22       4.338  -6.477  -2.377  1.00  0.00           H   new
ATOM    333  N   SER A  23       1.182  -8.649  -3.700  1.00  0.00           N
ATOM    334  CA  SER A  23       0.754 -10.067  -3.595  1.00  0.00           C
ATOM    335  C   SER A  23       1.676 -10.808  -2.625  1.00  0.00           C
ATOM    336  O   SER A  23       1.333 -11.841  -2.088  1.00  0.00           O
ATOM    337  CB  SER A  23       0.886 -10.626  -5.013  1.00  0.00           C
ATOM    338  OG  SER A  23       1.808 -11.709  -5.015  1.00  0.00           O
ATOM      0  H   SER A  23       1.476  -8.354  -4.631  1.00  0.00           H   new
ATOM      0  HA  SER A  23      -0.262 -10.176  -3.217  1.00  0.00           H   new
ATOM      0  HB2 SER A  23      -0.086 -10.962  -5.374  1.00  0.00           H   new
ATOM      0  HB3 SER A  23       1.226  -9.845  -5.693  1.00  0.00           H   new
ATOM      0  HG  SER A  23       1.890 -12.067  -5.924  1.00  0.00           H   new
ATOM    344  N   ARG A  24       2.845 -10.274  -2.394  1.00  0.00           N
ATOM    345  CA  ARG A  24       3.795 -10.931  -1.452  1.00  0.00           C
ATOM    346  C   ARG A  24       3.385 -10.608  -0.018  1.00  0.00           C
ATOM    347  O   ARG A  24       3.264 -11.478   0.821  1.00  0.00           O
ATOM    348  CB  ARG A  24       5.156 -10.311  -1.773  1.00  0.00           C
ATOM    349  CG  ARG A  24       6.266 -11.150  -1.139  1.00  0.00           C
ATOM    350  CD  ARG A  24       6.135 -11.102   0.387  1.00  0.00           C
ATOM    351  NE  ARG A  24       7.536 -11.089   0.891  1.00  0.00           N
ATOM    352  CZ  ARG A  24       7.934 -12.000   1.735  1.00  0.00           C
ATOM    353  NH1 ARG A  24       7.498 -13.225   1.627  1.00  0.00           N
ATOM    354  NH2 ARG A  24       8.772 -11.688   2.686  1.00  0.00           N
ATOM      0  H   ARG A  24       3.183  -9.410  -2.818  1.00  0.00           H   new
ATOM      0  HA  ARG A  24       3.812 -12.016  -1.552  1.00  0.00           H   new
ATOM      0  HB2 ARG A  24       5.297 -10.259  -2.853  1.00  0.00           H   new
ATOM      0  HB3 ARG A  24       5.199  -9.289  -1.396  1.00  0.00           H   new
ATOM      0  HG2 ARG A  24       6.202 -12.181  -1.488  1.00  0.00           H   new
ATOM      0  HG3 ARG A  24       7.242 -10.771  -1.443  1.00  0.00           H   new
ATOM      0  HD2 ARG A  24       5.591 -10.214   0.709  1.00  0.00           H   new
ATOM      0  HD3 ARG A  24       5.587 -11.966   0.764  1.00  0.00           H   new
ATOM      0  HE  ARG A  24       8.185 -10.367   0.576  1.00  0.00           H   new
ATOM      0 HH11 ARG A  24       6.846 -13.470   0.882  1.00  0.00           H   new
ATOM      0 HH12 ARG A  24       7.810 -13.937   2.287  1.00  0.00           H   new
ATOM      0 HH21 ARG A  24       9.116 -10.731   2.769  1.00  0.00           H   new
ATOM      0 HH22 ARG A  24       9.083 -12.401   3.346  1.00  0.00           H   new
ATOM    368  N   TRP A  25       3.159  -9.358   0.257  1.00  0.00           N
ATOM    369  CA  TRP A  25       2.738  -8.957   1.628  1.00  0.00           C
ATOM    370  C   TRP A  25       1.234  -9.186   1.789  1.00  0.00           C
ATOM    371  O   TRP A  25       0.710  -9.164   2.880  1.00  0.00           O
ATOM    372  CB  TRP A  25       3.070  -7.473   1.722  1.00  0.00           C
ATOM    373  CG  TRP A  25       4.547  -7.282   1.574  1.00  0.00           C
ATOM    374  CD1 TRP A  25       5.159  -6.743   0.494  1.00  0.00           C
ATOM    375  CD2 TRP A  25       5.608  -7.621   2.514  1.00  0.00           C
ATOM    376  NE1 TRP A  25       6.522  -6.724   0.714  1.00  0.00           N
ATOM    377  CE2 TRP A  25       6.847  -7.254   1.939  1.00  0.00           C
ATOM    378  CE3 TRP A  25       5.621  -8.201   3.795  1.00  0.00           C
ATOM    379  CZ2 TRP A  25       8.049  -7.451   2.600  1.00  0.00           C
ATOM    380  CZ3 TRP A  25       6.839  -8.404   4.469  1.00  0.00           C
ATOM    381  CH2 TRP A  25       8.051  -8.029   3.872  1.00  0.00           C
ATOM      0  H   TRP A  25       3.247  -8.591  -0.410  1.00  0.00           H   new
ATOM      0  HA  TRP A  25       3.237  -9.532   2.408  1.00  0.00           H   new
ATOM      0  HB2 TRP A  25       2.541  -6.921   0.945  1.00  0.00           H   new
ATOM      0  HB3 TRP A  25       2.735  -7.074   2.680  1.00  0.00           H   new
ATOM      0  HD1 TRP A  25       4.662  -6.386  -0.396  1.00  0.00           H   new
ATOM      0  HE1 TRP A  25       7.204  -6.361   0.048  1.00  0.00           H   new
ATOM      0  HE3 TRP A  25       4.692  -8.492   4.263  1.00  0.00           H   new
ATOM      0  HZ2 TRP A  25       8.979  -7.159   2.135  1.00  0.00           H   new
ATOM      0  HZ3 TRP A  25       6.841  -8.851   5.452  1.00  0.00           H   new
ATOM      0  HH2 TRP A  25       8.983  -8.186   4.394  1.00  0.00           H   new
ATOM    392  N   LYS A  26       0.545  -9.418   0.699  1.00  0.00           N
ATOM    393  CA  LYS A  26      -0.926  -9.674   0.760  1.00  0.00           C
ATOM    394  C   LYS A  26      -1.713  -8.388   1.067  1.00  0.00           C
ATOM    395  O   LYS A  26      -2.783  -8.443   1.638  1.00  0.00           O
ATOM    396  CB  LYS A  26      -1.091 -10.737   1.874  1.00  0.00           C
ATOM    397  CG  LYS A  26      -1.618 -10.111   3.181  1.00  0.00           C
ATOM    398  CD  LYS A  26      -0.895 -10.706   4.396  1.00  0.00           C
ATOM    399  CE  LYS A  26      -0.673 -12.209   4.197  1.00  0.00           C
ATOM    400  NZ  LYS A  26      -0.825 -12.801   5.555  1.00  0.00           N
ATOM      0  H   LYS A  26       0.944  -9.441  -0.239  1.00  0.00           H   new
ATOM      0  HA  LYS A  26      -1.324 -10.022  -0.193  1.00  0.00           H   new
ATOM      0  HB2 LYS A  26      -1.779 -11.513   1.538  1.00  0.00           H   new
ATOM      0  HB3 LYS A  26      -0.132 -11.220   2.062  1.00  0.00           H   new
ATOM      0  HG2 LYS A  26      -1.472  -9.031   3.158  1.00  0.00           H   new
ATOM      0  HG3 LYS A  26      -2.690 -10.286   3.268  1.00  0.00           H   new
ATOM      0  HD2 LYS A  26       0.063 -10.206   4.539  1.00  0.00           H   new
ATOM      0  HD3 LYS A  26      -1.483 -10.534   5.298  1.00  0.00           H   new
ATOM      0  HE2 LYS A  26      -1.399 -12.627   3.500  1.00  0.00           H   new
ATOM      0  HE3 LYS A  26       0.316 -12.411   3.786  1.00  0.00           H   new
ATOM      0  HZ1 LYS A  26      -0.687 -13.830   5.502  1.00  0.00           H   new
ATOM      0  HZ2 LYS A  26      -0.116 -12.389   6.195  1.00  0.00           H   new
ATOM      0  HZ3 LYS A  26      -1.778 -12.598   5.918  1.00  0.00           H   new
ATOM    414  N   TRP A  27      -1.212  -7.239   0.694  1.00  0.00           N
ATOM    415  CA  TRP A  27      -1.964  -5.984   0.987  1.00  0.00           C
ATOM    416  C   TRP A  27      -1.162  -4.754   0.554  1.00  0.00           C
ATOM    417  O   TRP A  27      -0.073  -4.864   0.027  1.00  0.00           O
ATOM    418  CB  TRP A  27      -2.172  -5.971   2.513  1.00  0.00           C
ATOM    419  CG  TRP A  27      -0.862  -6.146   3.236  1.00  0.00           C
ATOM    420  CD1 TRP A  27       0.282  -5.483   2.955  1.00  0.00           C
ATOM    421  CD2 TRP A  27      -0.558  -6.996   4.388  1.00  0.00           C
ATOM    422  NE1 TRP A  27       1.270  -5.893   3.830  1.00  0.00           N
ATOM    423  CE2 TRP A  27       0.803  -6.817   4.730  1.00  0.00           C
ATOM    424  CE3 TRP A  27      -1.314  -7.900   5.155  1.00  0.00           C
ATOM    425  CZ2 TRP A  27       1.393  -7.499   5.784  1.00  0.00           C
ATOM    426  CZ3 TRP A  27      -0.722  -8.592   6.226  1.00  0.00           C
ATOM    427  CH2 TRP A  27       0.630  -8.393   6.538  1.00  0.00           C
ATOM      0  H   TRP A  27      -0.325  -7.116   0.205  1.00  0.00           H   new
ATOM      0  HA  TRP A  27      -2.909  -5.953   0.445  1.00  0.00           H   new
ATOM      0  HB2 TRP A  27      -2.635  -5.031   2.813  1.00  0.00           H   new
ATOM      0  HB3 TRP A  27      -2.858  -6.769   2.797  1.00  0.00           H   new
ATOM      0  HD1 TRP A  27       0.404  -4.750   2.172  1.00  0.00           H   new
ATOM      0  HE1 TRP A  27       2.230  -5.550   3.809  1.00  0.00           H   new
ATOM      0  HE3 TRP A  27      -2.355  -8.064   4.920  1.00  0.00           H   new
ATOM      0  HZ2 TRP A  27       2.435  -7.340   6.020  1.00  0.00           H   new
ATOM      0  HZ3 TRP A  27      -1.312  -9.281   6.812  1.00  0.00           H   new
ATOM      0  HH2 TRP A  27       1.081  -8.930   7.360  1.00  0.00           H   new
ATOM    438  N   CYS A  28      -1.685  -3.581   0.796  1.00  0.00           N
ATOM    439  CA  CYS A  28      -0.943  -2.341   0.426  1.00  0.00           C
ATOM    440  C   CYS A  28       0.310  -2.234   1.296  1.00  0.00           C
ATOM    441  O   CYS A  28       0.226  -2.140   2.504  1.00  0.00           O
ATOM    442  CB  CYS A  28      -1.918  -1.197   0.720  1.00  0.00           C
ATOM    443  SG  CYS A  28      -3.212  -1.190  -0.542  1.00  0.00           S
ATOM      0  H   CYS A  28      -2.594  -3.428   1.234  1.00  0.00           H   new
ATOM      0  HA  CYS A  28      -0.619  -2.326  -0.614  1.00  0.00           H   new
ATOM      0  HB2 CYS A  28      -2.358  -1.322   1.710  1.00  0.00           H   new
ATOM      0  HB3 CYS A  28      -1.390  -0.243   0.723  1.00  0.00           H   new
ATOM    448  N   VAL A  29       1.474  -2.277   0.704  1.00  0.00           N
ATOM    449  CA  VAL A  29       2.720  -2.205   1.523  1.00  0.00           C
ATOM    450  C   VAL A  29       3.419  -0.862   1.359  1.00  0.00           C
ATOM    451  O   VAL A  29       3.205  -0.147   0.402  1.00  0.00           O
ATOM    452  CB  VAL A  29       3.611  -3.319   0.986  1.00  0.00           C
ATOM    453  CG1 VAL A  29       2.883  -4.654   1.105  1.00  0.00           C
ATOM    454  CG2 VAL A  29       3.939  -3.047  -0.483  1.00  0.00           C
ATOM      0  H   VAL A  29       1.616  -2.358  -0.303  1.00  0.00           H   new
ATOM      0  HA  VAL A  29       2.500  -2.313   2.585  1.00  0.00           H   new
ATOM      0  HB  VAL A  29       4.535  -3.355   1.564  1.00  0.00           H   new
ATOM      0 HG11 VAL A  29       3.520  -5.451   0.721  1.00  0.00           H   new
ATOM      0 HG12 VAL A  29       2.649  -4.849   2.152  1.00  0.00           H   new
ATOM      0 HG13 VAL A  29       1.959  -4.617   0.527  1.00  0.00           H   new
ATOM      0 HG21 VAL A  29       4.576  -3.844  -0.867  1.00  0.00           H   new
ATOM      0 HG22 VAL A  29       3.016  -3.010  -1.061  1.00  0.00           H   new
ATOM      0 HG23 VAL A  29       4.459  -2.093  -0.569  1.00  0.00           H   new
ATOM    464  N   LEU A  30       4.274  -0.530   2.284  1.00  0.00           N
ATOM    465  CA  LEU A  30       5.014   0.755   2.186  1.00  0.00           C
ATOM    466  C   LEU A  30       5.691   0.842   0.820  1.00  0.00           C
ATOM    467  O   LEU A  30       6.726   0.248   0.589  1.00  0.00           O
ATOM    468  CB  LEU A  30       6.054   0.696   3.305  1.00  0.00           C
ATOM    469  CG  LEU A  30       5.345   0.592   4.656  1.00  0.00           C
ATOM    470  CD1 LEU A  30       6.362   0.225   5.738  1.00  0.00           C
ATOM    471  CD2 LEU A  30       4.703   1.940   4.997  1.00  0.00           C
ATOM      0  H   LEU A  30       4.492  -1.095   3.105  1.00  0.00           H   new
ATOM      0  HA  LEU A  30       4.369   1.628   2.286  1.00  0.00           H   new
ATOM      0  HB2 LEU A  30       6.711  -0.162   3.160  1.00  0.00           H   new
ATOM      0  HB3 LEU A  30       6.682   1.587   3.280  1.00  0.00           H   new
ATOM      0  HG  LEU A  30       4.575  -0.177   4.605  1.00  0.00           H   new
ATOM      0 HD11 LEU A  30       5.857   0.151   6.701  1.00  0.00           H   new
ATOM      0 HD12 LEU A  30       6.823  -0.733   5.495  1.00  0.00           H   new
ATOM      0 HD13 LEU A  30       7.132   0.995   5.790  1.00  0.00           H   new
ATOM      0 HD21 LEU A  30       4.197   1.869   5.960  1.00  0.00           H   new
ATOM      0 HD22 LEU A  30       5.475   2.708   5.049  1.00  0.00           H   new
ATOM      0 HD23 LEU A  30       3.980   2.204   4.225  1.00  0.00           H   new