USER  MOD reduce.3.24.130724 H: found=0, std=0, add=221, rem=0, adj=5
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  152:sc=   -3.34!  (180deg=-4.32!)
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     :      amide:sc= -0.0907  X(o=-0.091,f=-0.0028)
USER  MOD Single : A  12 SER OG  :   rot   70:sc=    0.66
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 -140:sc=  -0.175!
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      -4.996   1.899   4.541  1.00  0.00           N
ATOM     36  CA  LYS A   4      -3.778   1.788   5.392  1.00  0.00           C
ATOM     37  C   LYS A   4      -3.056   0.471   5.096  1.00  0.00           C
ATOM     38  O   LYS A   4      -3.644  -0.468   4.598  1.00  0.00           O
ATOM     39  CB  LYS A   4      -4.296   1.804   6.830  1.00  0.00           C
ATOM     40  CG  LYS A   4      -3.137   1.533   7.790  1.00  0.00           C
ATOM     41  CD  LYS A   4      -2.169   2.716   7.771  1.00  0.00           C
ATOM     42  CE  LYS A   4      -0.905   2.357   8.555  1.00  0.00           C
ATOM     43  NZ  LYS A   4      -0.177   3.646   8.727  1.00  0.00           N
ATOM      0  HA  LYS A   4      -3.067   2.593   5.209  1.00  0.00           H   new
ATOM      0  HB2 LYS A   4      -4.750   2.769   7.054  1.00  0.00           H   new
ATOM      0  HB3 LYS A   4      -5.072   1.049   6.957  1.00  0.00           H   new
ATOM      0  HG2 LYS A   4      -3.517   1.377   8.800  1.00  0.00           H   new
ATOM      0  HG3 LYS A   4      -2.617   0.620   7.500  1.00  0.00           H   new
ATOM      0  HD2 LYS A   4      -1.911   2.972   6.743  1.00  0.00           H   new
ATOM      0  HD3 LYS A   4      -2.643   3.594   8.209  1.00  0.00           H   new
ATOM      0  HE2 LYS A   4      -1.152   1.912   9.519  1.00  0.00           H   new
ATOM      0  HE3 LYS A   4      -0.298   1.631   8.014  1.00  0.00           H   new
ATOM      0  HZ1 LYS A   4       0.702   3.480   9.257  1.00  0.00           H   new
ATOM      0  HZ2 LYS A   4       0.051   4.043   7.793  1.00  0.00           H   new
ATOM      0  HZ3 LYS A   4      -0.776   4.316   9.251  1.00  0.00           H   new
ATOM     57  N   PHE A   5      -1.788   0.394   5.397  1.00  0.00           N
ATOM     58  CA  PHE A   5      -1.038  -0.864   5.127  1.00  0.00           C
ATOM     59  C   PHE A   5      -1.877  -2.076   5.526  1.00  0.00           C
ATOM     60  O   PHE A   5      -2.792  -1.979   6.319  1.00  0.00           O
ATOM     61  CB  PHE A   5       0.217  -0.780   5.996  1.00  0.00           C
ATOM     62  CG  PHE A   5       1.082  -2.003   5.768  1.00  0.00           C
ATOM     63  CD1 PHE A   5       0.750  -3.228   6.365  1.00  0.00           C
ATOM     64  CD2 PHE A   5       2.228  -1.905   4.970  1.00  0.00           C
ATOM     65  CE1 PHE A   5       1.565  -4.349   6.162  1.00  0.00           C
ATOM     66  CE2 PHE A   5       3.040  -3.026   4.766  1.00  0.00           C
ATOM     67  CZ  PHE A   5       2.711  -4.246   5.363  1.00  0.00           C
ATOM      0  H   PHE A   5      -1.241   1.146   5.817  1.00  0.00           H   new
ATOM      0  HA  PHE A   5      -0.795  -0.975   4.070  1.00  0.00           H   new
ATOM      0  HB2 PHE A   5       0.778   0.123   5.755  1.00  0.00           H   new
ATOM      0  HB3 PHE A   5      -0.062  -0.711   7.048  1.00  0.00           H   new
ATOM      0  HD1 PHE A   5      -0.134  -3.307   6.981  1.00  0.00           H   new
ATOM      0  HD2 PHE A   5       2.486  -0.962   4.511  1.00  0.00           H   new
ATOM      0  HE1 PHE A   5       1.310  -5.293   6.621  1.00  0.00           H   new
ATOM      0  HE2 PHE A   5       3.921  -2.948   4.147  1.00  0.00           H   new
ATOM      0  HZ  PHE A   5       3.341  -5.110   5.208  1.00  0.00           H   new
ATOM     77  N   MET A   6      -1.564  -3.214   4.978  1.00  0.00           N
ATOM     78  CA  MET A   6      -2.321  -4.455   5.310  1.00  0.00           C
ATOM     79  C   MET A   6      -3.740  -4.400   4.736  1.00  0.00           C
ATOM     80  O   MET A   6      -4.530  -5.302   4.933  1.00  0.00           O
ATOM     81  CB  MET A   6      -2.361  -4.521   6.840  1.00  0.00           C
ATOM     82  CG  MET A   6      -1.543  -5.723   7.321  1.00  0.00           C
ATOM     83  SD  MET A   6      -0.923  -5.398   8.992  1.00  0.00           S
ATOM     84  CE  MET A   6       0.642  -6.295   8.837  1.00  0.00           C
ATOM      0  H   MET A   6      -0.807  -3.341   4.306  1.00  0.00           H   new
ATOM      0  HA  MET A   6      -1.845  -5.337   4.881  1.00  0.00           H   new
ATOM      0  HB2 MET A   6      -1.960  -3.601   7.265  1.00  0.00           H   new
ATOM      0  HB3 MET A   6      -3.392  -4.608   7.184  1.00  0.00           H   new
ATOM      0  HG2 MET A   6      -2.160  -6.621   7.318  1.00  0.00           H   new
ATOM      0  HG3 MET A   6      -0.711  -5.906   6.641  1.00  0.00           H   new
ATOM      0  HE1 MET A   6       1.383  -5.851   9.502  1.00  0.00           H   new
ATOM      0  HE2 MET A   6       0.491  -7.340   9.108  1.00  0.00           H   new
ATOM      0  HE3 MET A   6       0.996  -6.235   7.808  1.00  0.00           H   new
ATOM     94  N   TRP A   7      -4.073  -3.356   4.030  1.00  0.00           N
ATOM     95  CA  TRP A   7      -5.444  -3.257   3.455  1.00  0.00           C
ATOM     96  C   TRP A   7      -5.573  -4.112   2.189  1.00  0.00           C
ATOM     97  O   TRP A   7      -4.677  -4.166   1.368  1.00  0.00           O
ATOM     98  CB  TRP A   7      -5.628  -1.783   3.107  1.00  0.00           C
ATOM     99  CG  TRP A   7      -6.278  -1.080   4.246  1.00  0.00           C
ATOM    100  CD1 TRP A   7      -5.925  -1.199   5.546  1.00  0.00           C
ATOM    101  CD2 TRP A   7      -7.387  -0.150   4.206  1.00  0.00           C
ATOM    102  NE1 TRP A   7      -6.763  -0.398   6.307  1.00  0.00           N
ATOM    103  CE2 TRP A   7      -7.677   0.265   5.523  1.00  0.00           C
ATOM    104  CE3 TRP A   7      -8.161   0.365   3.160  1.00  0.00           C
ATOM    105  CZ2 TRP A   7      -8.703   1.161   5.797  1.00  0.00           C
ATOM    106  CZ3 TRP A   7      -9.201   1.272   3.425  1.00  0.00           C
ATOM    107  CH2 TRP A   7      -9.471   1.669   4.744  1.00  0.00           C
ATOM      0  H   TRP A   7      -3.457  -2.569   3.826  1.00  0.00           H   new
ATOM      0  HA  TRP A   7      -6.196  -3.617   4.157  1.00  0.00           H   new
ATOM      0  HB2 TRP A   7      -4.662  -1.327   2.888  1.00  0.00           H   new
ATOM      0  HB3 TRP A   7      -6.238  -1.684   2.209  1.00  0.00           H   new
ATOM      0  HD1 TRP A   7      -5.124  -1.815   5.928  1.00  0.00           H   new
ATOM      0  HE1 TRP A   7      -6.708  -0.312   7.322  1.00  0.00           H   new
ATOM      0  HE3 TRP A   7      -7.958   0.064   2.143  1.00  0.00           H   new
ATOM      0  HZ2 TRP A   7      -8.906   1.463   6.814  1.00  0.00           H   new
ATOM      0  HZ3 TRP A   7      -9.794   1.665   2.612  1.00  0.00           H   new
ATOM      0  HH2 TRP A   7     -10.271   2.366   4.946  1.00  0.00           H   new
ATOM    118  N   LYS A   8      -6.694  -4.764   2.025  1.00  0.00           N
ATOM    119  CA  LYS A   8      -6.914  -5.605   0.813  1.00  0.00           C
ATOM    120  C   LYS A   8      -6.787  -4.740  -0.442  1.00  0.00           C
ATOM    121  O   LYS A   8      -7.327  -3.654  -0.511  1.00  0.00           O
ATOM    122  CB  LYS A   8      -8.345  -6.128   0.953  1.00  0.00           C
ATOM    123  CG  LYS A   8      -8.321  -7.629   1.247  1.00  0.00           C
ATOM    124  CD  LYS A   8      -7.525  -7.887   2.526  1.00  0.00           C
ATOM    125  CE  LYS A   8      -6.581  -9.070   2.303  1.00  0.00           C
ATOM    126  NZ  LYS A   8      -6.232  -9.548   3.669  1.00  0.00           N
ATOM      0  H   LYS A   8      -7.472  -4.749   2.684  1.00  0.00           H   new
ATOM      0  HA  LYS A   8      -6.189  -6.415   0.727  1.00  0.00           H   new
ATOM      0  HB2 LYS A   8      -8.859  -5.599   1.756  1.00  0.00           H   new
ATOM      0  HB3 LYS A   8      -8.903  -5.936   0.037  1.00  0.00           H   new
ATOM      0  HG2 LYS A   8      -9.338  -8.005   1.357  1.00  0.00           H   new
ATOM      0  HG3 LYS A   8      -7.872  -8.166   0.412  1.00  0.00           H   new
ATOM      0  HD2 LYS A   8      -6.955  -6.999   2.799  1.00  0.00           H   new
ATOM      0  HD3 LYS A   8      -8.202  -8.098   3.353  1.00  0.00           H   new
ATOM      0  HE2 LYS A   8      -7.063  -9.856   1.721  1.00  0.00           H   new
ATOM      0  HE3 LYS A   8      -5.691  -8.766   1.752  1.00  0.00           H   new
ATOM      0  HZ1 LYS A   8      -5.586 -10.360   3.598  1.00  0.00           H   new
ATOM      0  HZ2 LYS A   8      -5.768  -8.781   4.197  1.00  0.00           H   new
ATOM      0  HZ3 LYS A   8      -7.098  -9.837   4.167  1.00  0.00           H   new
ATOM    140  N   CYS A   9      -6.072  -5.199  -1.429  1.00  0.00           N
ATOM    141  CA  CYS A   9      -5.912  -4.383  -2.662  1.00  0.00           C
ATOM    142  C   CYS A   9      -5.979  -5.261  -3.913  1.00  0.00           C
ATOM    143  O   CYS A   9      -6.354  -6.415  -3.862  1.00  0.00           O
ATOM    144  CB  CYS A   9      -4.526  -3.770  -2.527  1.00  0.00           C
ATOM    145  SG  CYS A   9      -3.332  -5.078  -2.157  1.00  0.00           S
ATOM      0  H   CYS A   9      -5.594  -6.100  -1.436  1.00  0.00           H   new
ATOM      0  HA  CYS A   9      -6.700  -3.637  -2.766  1.00  0.00           H   new
ATOM      0  HB2 CYS A   9      -4.250  -3.259  -3.449  1.00  0.00           H   new
ATOM      0  HB3 CYS A   9      -4.522  -3.022  -1.734  1.00  0.00           H   new
ATOM    150  N   LYS A  10      -5.615  -4.709  -5.038  1.00  0.00           N
ATOM    151  CA  LYS A  10      -5.648  -5.491  -6.307  1.00  0.00           C
ATOM    152  C   LYS A  10      -4.339  -5.312  -7.082  1.00  0.00           C
ATOM    153  O   LYS A  10      -3.924  -6.178  -7.827  1.00  0.00           O
ATOM    154  CB  LYS A  10      -6.817  -4.903  -7.094  1.00  0.00           C
ATOM    155  CG  LYS A  10      -6.468  -3.490  -7.566  1.00  0.00           C
ATOM    156  CD  LYS A  10      -7.711  -2.604  -7.492  1.00  0.00           C
ATOM    157  CE  LYS A  10      -8.647  -2.936  -8.656  1.00  0.00           C
ATOM    158  NZ  LYS A  10      -9.850  -2.088  -8.433  1.00  0.00           N
ATOM      0  H   LYS A  10      -5.295  -3.745  -5.133  1.00  0.00           H   new
ATOM      0  HA  LYS A  10      -5.764  -6.560  -6.130  1.00  0.00           H   new
ATOM      0  HB2 LYS A  10      -7.045  -5.536  -7.951  1.00  0.00           H   new
ATOM      0  HB3 LYS A  10      -7.711  -4.877  -6.470  1.00  0.00           H   new
ATOM      0  HG2 LYS A  10      -5.675  -3.074  -6.945  1.00  0.00           H   new
ATOM      0  HG3 LYS A  10      -6.090  -3.520  -8.588  1.00  0.00           H   new
ATOM      0  HD2 LYS A  10      -8.225  -2.759  -6.543  1.00  0.00           H   new
ATOM      0  HD3 LYS A  10      -7.424  -1.553  -7.531  1.00  0.00           H   new
ATOM      0  HE2 LYS A  10      -8.179  -2.714  -9.615  1.00  0.00           H   new
ATOM      0  HE3 LYS A  10      -8.906  -3.995  -8.665  1.00  0.00           H   new
ATOM      0  HZ1 LYS A  10     -10.541  -2.259  -9.192  1.00  0.00           H   new
ATOM      0  HZ2 LYS A  10     -10.278  -2.327  -7.515  1.00  0.00           H   new
ATOM      0  HZ3 LYS A  10      -9.573  -1.085  -8.436  1.00  0.00           H   new
ATOM    172  N   ASN A  11      -3.689  -4.196  -6.909  1.00  0.00           N
ATOM    173  CA  ASN A  11      -2.407  -3.956  -7.633  1.00  0.00           C
ATOM    174  C   ASN A  11      -1.821  -2.600  -7.234  1.00  0.00           C
ATOM    175  O   ASN A  11      -0.633  -2.460  -7.023  1.00  0.00           O
ATOM    176  CB  ASN A  11      -2.780  -3.962  -9.114  1.00  0.00           C
ATOM    177  CG  ASN A  11      -1.617  -4.525  -9.929  1.00  0.00           C
ATOM    178  OD1 ASN A  11      -1.101  -3.866 -10.810  1.00  0.00           O
ATOM    179  ND2 ASN A  11      -1.178  -5.724  -9.668  1.00  0.00           N
ATOM      0  H   ASN A  11      -3.989  -3.437  -6.297  1.00  0.00           H   new
ATOM      0  HA  ASN A  11      -1.655  -4.709  -7.400  1.00  0.00           H   new
ATOM      0  HB2 ASN A  11      -3.674  -4.564  -9.272  1.00  0.00           H   new
ATOM      0  HB3 ASN A  11      -3.014  -2.950  -9.445  1.00  0.00           H   new
ATOM      0 HD21 ASN A  11      -0.400  -6.110 -10.203  1.00  0.00           H   new
ATOM      0 HD22 ASN A  11      -1.612  -6.276  -8.928  1.00  0.00           H   new
ATOM    186  N   SER A  12      -2.651  -1.604  -7.127  1.00  0.00           N
ATOM    187  CA  SER A  12      -2.162  -0.253  -6.737  1.00  0.00           C
ATOM    188  C   SER A  12      -3.267   0.788  -6.940  1.00  0.00           C
ATOM    189  O   SER A  12      -3.004   1.928  -7.265  1.00  0.00           O
ATOM    190  CB  SER A  12      -0.980   0.030  -7.661  1.00  0.00           C
ATOM    191  OG  SER A  12       0.223   0.023  -6.902  1.00  0.00           O
ATOM      0  H   SER A  12      -3.655  -1.667  -7.294  1.00  0.00           H   new
ATOM      0  HA  SER A  12      -1.872  -0.208  -5.687  1.00  0.00           H   new
ATOM      0  HB2 SER A  12      -0.931  -0.722  -8.448  1.00  0.00           H   new
ATOM      0  HB3 SER A  12      -1.109   0.995  -8.150  1.00  0.00           H   new
ATOM      0  HG  SER A  12       0.425  -0.893  -6.618  1.00  0.00           H   new
ATOM    197  N   ASN A  13      -4.502   0.406  -6.751  1.00  0.00           N
ATOM    198  CA  ASN A  13      -5.618   1.376  -6.937  1.00  0.00           C
ATOM    199  C   ASN A  13      -6.305   1.663  -5.598  1.00  0.00           C
ATOM    200  O   ASN A  13      -7.160   2.521  -5.502  1.00  0.00           O
ATOM    201  CB  ASN A  13      -6.587   0.685  -7.895  1.00  0.00           C
ATOM    202  CG  ASN A  13      -7.078   1.691  -8.938  1.00  0.00           C
ATOM    203  OD1 ASN A  13      -8.092   2.334  -8.748  1.00  0.00           O
ATOM    204  ND2 ASN A  13      -6.400   1.853 -10.041  1.00  0.00           N
ATOM      0  H   ASN A  13      -4.785  -0.535  -6.476  1.00  0.00           H   new
ATOM      0  HA  ASN A  13      -5.269   2.333  -7.325  1.00  0.00           H   new
ATOM      0  HB2 ASN A  13      -6.093  -0.153  -8.387  1.00  0.00           H   new
ATOM      0  HB3 ASN A  13      -7.433   0.277  -7.342  1.00  0.00           H   new
ATOM      0 HD21 ASN A  13      -6.721   2.519 -10.744  1.00  0.00           H   new
ATOM      0 HD22 ASN A  13      -5.549   1.314 -10.201  1.00  0.00           H   new
ATOM    211  N   ASP A  14      -5.941   0.952  -4.568  1.00  0.00           N
ATOM    212  CA  ASP A  14      -6.577   1.187  -3.238  1.00  0.00           C
ATOM    213  C   ASP A  14      -5.508   1.465  -2.180  1.00  0.00           C
ATOM    214  O   ASP A  14      -5.805   1.643  -1.016  1.00  0.00           O
ATOM    215  CB  ASP A  14      -7.315  -0.112  -2.915  1.00  0.00           C
ATOM    216  CG  ASP A  14      -7.877  -0.038  -1.493  1.00  0.00           C
ATOM    217  OD1 ASP A  14      -8.867   0.650  -1.304  1.00  0.00           O
ATOM    218  OD2 ASP A  14      -7.306  -0.670  -0.618  1.00  0.00           O
ATOM      0  H   ASP A  14      -5.232   0.219  -4.587  1.00  0.00           H   new
ATOM      0  HA  ASP A  14      -7.246   2.047  -3.251  1.00  0.00           H   new
ATOM      0  HB2 ASP A  14      -8.123  -0.271  -3.629  1.00  0.00           H   new
ATOM      0  HB3 ASP A  14      -6.637  -0.961  -3.006  1.00  0.00           H   new
ATOM    223  N   CYS A  15      -4.266   1.498  -2.575  1.00  0.00           N
ATOM    224  CA  CYS A  15      -3.179   1.756  -1.593  1.00  0.00           C
ATOM    225  C   CYS A  15      -3.024   3.257  -1.347  1.00  0.00           C
ATOM    226  O   CYS A  15      -3.068   4.056  -2.261  1.00  0.00           O
ATOM    227  CB  CYS A  15      -1.923   1.182  -2.245  1.00  0.00           C
ATOM    228  SG  CYS A  15      -2.135  -0.601  -2.479  1.00  0.00           S
ATOM      0  H   CYS A  15      -3.957   1.357  -3.537  1.00  0.00           H   new
ATOM      0  HA  CYS A  15      -3.381   1.303  -0.622  1.00  0.00           H   new
ATOM      0  HB2 CYS A  15      -1.742   1.668  -3.204  1.00  0.00           H   new
ATOM      0  HB3 CYS A  15      -1.052   1.378  -1.619  1.00  0.00           H   new
ATOM    233  N   CYS A  16      -2.843   3.642  -0.114  1.00  0.00           N
ATOM    234  CA  CYS A  16      -2.685   5.090   0.201  1.00  0.00           C
ATOM    235  C   CYS A  16      -1.442   5.650  -0.495  1.00  0.00           C
ATOM    236  O   CYS A  16      -0.612   4.914  -0.989  1.00  0.00           O
ATOM    237  CB  CYS A  16      -2.512   5.152   1.717  1.00  0.00           C
ATOM    238  SG  CYS A  16      -4.037   5.752   2.482  1.00  0.00           S
ATOM      0  H   CYS A  16      -2.798   3.016   0.690  1.00  0.00           H   new
ATOM      0  HA  CYS A  16      -3.537   5.678  -0.139  1.00  0.00           H   new
ATOM      0  HB2 CYS A  16      -2.264   4.164   2.105  1.00  0.00           H   new
ATOM      0  HB3 CYS A  16      -1.682   5.812   1.971  1.00  0.00           H   new
ATOM      0  HG  CYS A  16      -3.885   5.801   3.772  1.00  0.00           H   new
ATOM    243  N   LYS A  17      -1.303   6.948  -0.535  1.00  0.00           N
ATOM    244  CA  LYS A  17      -0.109   7.540  -1.193  1.00  0.00           C
ATOM    245  C   LYS A  17       1.159   6.885  -0.642  1.00  0.00           C
ATOM    246  O   LYS A  17       1.195   6.435   0.485  1.00  0.00           O
ATOM    247  CB  LYS A  17      -0.145   9.026  -0.837  1.00  0.00           C
ATOM    248  CG  LYS A  17       1.082   9.720  -1.431  1.00  0.00           C
ATOM    249  CD  LYS A  17       1.107  11.189  -0.997  1.00  0.00           C
ATOM    250  CE  LYS A  17       1.754  11.304   0.385  1.00  0.00           C
ATOM    251  NZ  LYS A  17       0.816  12.145   1.180  1.00  0.00           N
ATOM      0  H   LYS A  17      -1.963   7.619  -0.142  1.00  0.00           H   new
ATOM      0  HA  LYS A  17      -0.111   7.388  -2.272  1.00  0.00           H   new
ATOM      0  HB2 LYS A  17      -1.057   9.482  -1.223  1.00  0.00           H   new
ATOM      0  HB3 LYS A  17      -0.159   9.152   0.246  1.00  0.00           H   new
ATOM      0  HG2 LYS A  17       1.991   9.218  -1.100  1.00  0.00           H   new
ATOM      0  HG3 LYS A  17       1.058   9.653  -2.519  1.00  0.00           H   new
ATOM      0  HD2 LYS A  17       1.664  11.783  -1.721  1.00  0.00           H   new
ATOM      0  HD3 LYS A  17       0.093  11.588  -0.970  1.00  0.00           H   new
ATOM      0  HE2 LYS A  17       1.888  10.323   0.841  1.00  0.00           H   new
ATOM      0  HE3 LYS A  17       2.740  11.764   0.322  1.00  0.00           H   new
ATOM      0  HZ1 LYS A  17       1.191  12.269   2.142  1.00  0.00           H   new
ATOM      0  HZ2 LYS A  17       0.713  13.075   0.726  1.00  0.00           H   new
ATOM      0  HZ3 LYS A  17      -0.112  11.679   1.228  1.00  0.00           H   new
ATOM    265  N   ASP A  18       2.200   6.824  -1.425  1.00  0.00           N
ATOM    266  CA  ASP A  18       3.456   6.192  -0.932  1.00  0.00           C
ATOM    267  C   ASP A  18       3.184   4.743  -0.523  1.00  0.00           C
ATOM    268  O   ASP A  18       3.871   4.180   0.305  1.00  0.00           O
ATOM    269  CB  ASP A  18       3.869   7.026   0.280  1.00  0.00           C
ATOM    270  CG  ASP A  18       4.917   8.059  -0.141  1.00  0.00           C
ATOM    271  OD1 ASP A  18       5.483   7.899  -1.209  1.00  0.00           O
ATOM    272  OD2 ASP A  18       5.134   8.993   0.613  1.00  0.00           O
ATOM      0  H   ASP A  18       2.236   7.182  -2.379  1.00  0.00           H   new
ATOM      0  HA  ASP A  18       4.237   6.168  -1.692  1.00  0.00           H   new
ATOM      0  HB2 ASP A  18       2.998   7.528   0.703  1.00  0.00           H   new
ATOM      0  HB3 ASP A  18       4.273   6.379   1.059  1.00  0.00           H   new
ATOM    277  N   LEU A  19       2.184   4.135  -1.101  1.00  0.00           N
ATOM    278  CA  LEU A  19       1.869   2.720  -0.751  1.00  0.00           C
ATOM    279  C   LEU A  19       1.526   1.931  -2.015  1.00  0.00           C
ATOM    280  O   LEU A  19       0.925   2.444  -2.937  1.00  0.00           O
ATOM    281  CB  LEU A  19       0.659   2.795   0.185  1.00  0.00           C
ATOM    282  CG  LEU A  19       0.573   1.512   1.023  1.00  0.00           C
ATOM    283  CD1 LEU A  19       1.850   1.352   1.850  1.00  0.00           C
ATOM    284  CD2 LEU A  19      -0.624   1.600   1.968  1.00  0.00           C
ATOM      0  H   LEU A  19       1.572   4.556  -1.800  1.00  0.00           H   new
ATOM      0  HA  LEU A  19       2.711   2.215  -0.279  1.00  0.00           H   new
ATOM      0  HB2 LEU A  19       0.746   3.663   0.839  1.00  0.00           H   new
ATOM      0  HB3 LEU A  19      -0.255   2.924  -0.395  1.00  0.00           H   new
ATOM      0  HG  LEU A  19       0.457   0.656   0.358  1.00  0.00           H   new
ATOM      0 HD11 LEU A  19       1.787   0.440   2.444  1.00  0.00           H   new
ATOM      0 HD12 LEU A  19       2.710   1.292   1.183  1.00  0.00           H   new
ATOM      0 HD13 LEU A  19       1.964   2.210   2.513  1.00  0.00           H   new
ATOM      0 HD21 LEU A  19      -0.685   0.689   2.563  1.00  0.00           H   new
ATOM      0 HD22 LEU A  19      -0.503   2.458   2.629  1.00  0.00           H   new
ATOM      0 HD23 LEU A  19      -1.539   1.716   1.387  1.00  0.00           H   new
ATOM    296  N   VAL A  20       1.909   0.686  -2.064  1.00  0.00           N
ATOM    297  CA  VAL A  20       1.609  -0.137  -3.269  1.00  0.00           C
ATOM    298  C   VAL A  20       1.109  -1.523  -2.856  1.00  0.00           C
ATOM    299  O   VAL A  20       1.554  -2.088  -1.877  1.00  0.00           O
ATOM    300  CB  VAL A  20       2.940  -0.249  -4.012  1.00  0.00           C
ATOM    301  CG1 VAL A  20       3.268   1.087  -4.682  1.00  0.00           C
ATOM    302  CG2 VAL A  20       4.050  -0.603  -3.020  1.00  0.00           C
ATOM      0  H   VAL A  20       2.416   0.203  -1.323  1.00  0.00           H   new
ATOM      0  HA  VAL A  20       0.830   0.309  -3.888  1.00  0.00           H   new
ATOM      0  HB  VAL A  20       2.865  -1.028  -4.771  1.00  0.00           H   new
ATOM      0 HG11 VAL A  20       4.217   1.005  -5.211  1.00  0.00           H   new
ATOM      0 HG12 VAL A  20       2.479   1.343  -5.389  1.00  0.00           H   new
ATOM      0 HG13 VAL A  20       3.342   1.866  -3.923  1.00  0.00           H   new
ATOM      0 HG21 VAL A  20       4.999  -0.683  -3.550  1.00  0.00           H   new
ATOM      0 HG22 VAL A  20       4.122   0.176  -2.261  1.00  0.00           H   new
ATOM      0 HG23 VAL A  20       3.820  -1.555  -2.541  1.00  0.00           H   new
ATOM    312  N   CYS A  21       0.186  -2.074  -3.594  1.00  0.00           N
ATOM    313  CA  CYS A  21      -0.344  -3.423  -3.245  1.00  0.00           C
ATOM    314  C   CYS A  21       0.681  -4.504  -3.586  1.00  0.00           C
ATOM    315  O   CYS A  21       1.464  -4.363  -4.504  1.00  0.00           O
ATOM    316  CB  CYS A  21      -1.590  -3.591  -4.107  1.00  0.00           C
ATOM    317  SG  CYS A  21      -2.265  -5.250  -3.859  1.00  0.00           S
ATOM      0  H   CYS A  21      -0.225  -1.648  -4.425  1.00  0.00           H   new
ATOM      0  HA  CYS A  21      -0.561  -3.514  -2.181  1.00  0.00           H   new
ATOM      0  HB2 CYS A  21      -2.334  -2.839  -3.842  1.00  0.00           H   new
ATOM      0  HB3 CYS A  21      -1.343  -3.439  -5.158  1.00  0.00           H   new
ATOM    322  N   SER A  22       0.676  -5.588  -2.861  1.00  0.00           N
ATOM    323  CA  SER A  22       1.648  -6.675  -3.156  1.00  0.00           C
ATOM    324  C   SER A  22       1.017  -8.038  -2.875  1.00  0.00           C
ATOM    325  O   SER A  22       0.571  -8.316  -1.773  1.00  0.00           O
ATOM    326  CB  SER A  22       2.831  -6.420  -2.225  1.00  0.00           C
ATOM    327  OG  SER A  22       3.848  -7.382  -2.478  1.00  0.00           O
ATOM      0  H   SER A  22       0.044  -5.767  -2.081  1.00  0.00           H   new
ATOM      0  HA  SER A  22       1.955  -6.681  -4.202  1.00  0.00           H   new
ATOM      0  HB2 SER A  22       3.220  -5.414  -2.381  1.00  0.00           H   new
ATOM      0  HB3 SER A  22       2.509  -6.480  -1.185  1.00  0.00           H   new
ATOM      0  HG  SER A  22       4.246  -7.668  -1.629  1.00  0.00           H   new
ATOM    333  N   SER A  23       0.972  -8.885  -3.870  1.00  0.00           N
ATOM    334  CA  SER A  23       0.376 -10.232  -3.689  1.00  0.00           C
ATOM    335  C   SER A  23       1.208 -11.038  -2.691  1.00  0.00           C
ATOM    336  O   SER A  23       0.731 -11.974  -2.080  1.00  0.00           O
ATOM    337  CB  SER A  23       0.422 -10.874  -5.076  1.00  0.00           C
ATOM    338  OG  SER A  23      -0.749 -10.515  -5.797  1.00  0.00           O
ATOM      0  H   SER A  23       1.327  -8.695  -4.807  1.00  0.00           H   new
ATOM      0  HA  SER A  23      -0.640 -10.191  -3.297  1.00  0.00           H   new
ATOM      0  HB2 SER A  23       1.310 -10.543  -5.614  1.00  0.00           H   new
ATOM      0  HB3 SER A  23       0.490 -11.958  -4.986  1.00  0.00           H   new
ATOM      0  HG  SER A  23      -0.723 -10.923  -6.688  1.00  0.00           H   new
ATOM    344  N   ARG A  24       2.448 -10.670  -2.512  1.00  0.00           N
ATOM    345  CA  ARG A  24       3.306 -11.404  -1.541  1.00  0.00           C
ATOM    346  C   ARG A  24       2.966 -10.937  -0.132  1.00  0.00           C
ATOM    347  O   ARG A  24       2.767 -11.726   0.770  1.00  0.00           O
ATOM    348  CB  ARG A  24       4.740 -11.020  -1.904  1.00  0.00           C
ATOM    349  CG  ARG A  24       5.708 -12.050  -1.319  1.00  0.00           C
ATOM    350  CD  ARG A  24       6.186 -11.582   0.057  1.00  0.00           C
ATOM    351  NE  ARG A  24       7.223 -10.552  -0.226  1.00  0.00           N
ATOM    352  CZ  ARG A  24       8.475 -10.796   0.048  1.00  0.00           C
ATOM    353  NH1 ARG A  24       8.918 -12.023   0.044  1.00  0.00           N
ATOM    354  NH2 ARG A  24       9.285  -9.811   0.326  1.00  0.00           N
ATOM      0  H   ARG A  24       2.902  -9.895  -2.995  1.00  0.00           H   new
ATOM      0  HA  ARG A  24       3.163 -12.484  -1.578  1.00  0.00           H   new
ATOM      0  HB2 ARG A  24       4.852 -10.974  -2.987  1.00  0.00           H   new
ATOM      0  HB3 ARG A  24       4.971 -10.027  -1.517  1.00  0.00           H   new
ATOM      0  HG2 ARG A  24       5.216 -13.019  -1.234  1.00  0.00           H   new
ATOM      0  HG3 ARG A  24       6.560 -12.183  -1.985  1.00  0.00           H   new
ATOM      0  HD2 ARG A  24       5.364 -11.165   0.640  1.00  0.00           H   new
ATOM      0  HD3 ARG A  24       6.599 -12.410   0.634  1.00  0.00           H   new
ATOM      0  HE  ARG A  24       6.955  -9.656  -0.634  1.00  0.00           H   new
ATOM      0 HH11 ARG A  24       8.285 -12.793  -0.174  1.00  0.00           H   new
ATOM      0 HH12 ARG A  24       9.897 -12.212   0.258  1.00  0.00           H   new
ATOM      0 HH21 ARG A  24       8.939  -8.851   0.329  1.00  0.00           H   new
ATOM      0 HH22 ARG A  24      10.264 -10.001   0.540  1.00  0.00           H   new
ATOM    368  N   TRP A  25       2.872  -9.653   0.052  1.00  0.00           N
ATOM    369  CA  TRP A  25       2.517  -9.119   1.393  1.00  0.00           C
ATOM    370  C   TRP A  25       1.002  -9.231   1.591  1.00  0.00           C
ATOM    371  O   TRP A  25       0.501  -9.110   2.687  1.00  0.00           O
ATOM    372  CB  TRP A  25       2.962  -7.657   1.375  1.00  0.00           C
ATOM    373  CG  TRP A  25       4.455  -7.592   1.302  1.00  0.00           C
ATOM    374  CD1 TRP A  25       5.166  -7.142   0.242  1.00  0.00           C
ATOM    375  CD2 TRP A  25       5.432  -7.979   2.312  1.00  0.00           C
ATOM    376  NE1 TRP A  25       6.513  -7.230   0.540  1.00  0.00           N
ATOM    377  CE2 TRP A  25       6.726  -7.738   1.797  1.00  0.00           C
ATOM    378  CE3 TRP A  25       5.326  -8.511   3.609  1.00  0.00           C
ATOM    379  CZ2 TRP A  25       7.868  -8.008   2.533  1.00  0.00           C
ATOM    380  CZ3 TRP A  25       6.481  -8.787   4.359  1.00  0.00           C
ATOM    381  CH2 TRP A  25       7.752  -8.537   3.821  1.00  0.00           C
ATOM      0  H   TRP A  25       3.026  -8.949  -0.669  1.00  0.00           H   new
ATOM      0  HA  TRP A  25       2.994  -9.664   2.208  1.00  0.00           H   new
ATOM      0  HB2 TRP A  25       2.523  -7.142   0.521  1.00  0.00           H   new
ATOM      0  HB3 TRP A  25       2.608  -7.147   2.271  1.00  0.00           H   new
ATOM      0  HD1 TRP A  25       4.750  -6.775  -0.684  1.00  0.00           H   new
ATOM      0  HE1 TRP A  25       7.259  -6.951  -0.098  1.00  0.00           H   new
ATOM      0  HE3 TRP A  25       4.352  -8.708   4.031  1.00  0.00           H   new
ATOM      0  HZ2 TRP A  25       8.843  -7.811   2.113  1.00  0.00           H   new
ATOM      0  HZ3 TRP A  25       6.390  -9.194   5.355  1.00  0.00           H   new
ATOM      0  HH2 TRP A  25       8.638  -8.753   4.400  1.00  0.00           H   new
ATOM    392  N   LYS A  26       0.279  -9.484   0.527  1.00  0.00           N
ATOM    393  CA  LYS A  26      -1.205  -9.638   0.626  1.00  0.00           C
ATOM    394  C   LYS A  26      -1.889  -8.309   0.981  1.00  0.00           C
ATOM    395  O   LYS A  26      -2.944  -8.301   1.581  1.00  0.00           O
ATOM    396  CB  LYS A  26      -1.407 -10.703   1.728  1.00  0.00           C
ATOM    397  CG  LYS A  26      -1.818 -10.057   3.067  1.00  0.00           C
ATOM    398  CD  LYS A  26      -1.073 -10.716   4.231  1.00  0.00           C
ATOM    399  CE  LYS A  26      -1.001 -12.231   4.019  1.00  0.00           C
ATOM    400  NZ  LYS A  26      -1.394 -12.821   5.328  1.00  0.00           N
ATOM      0  H   LYS A  26       0.658  -9.591  -0.414  1.00  0.00           H   new
ATOM      0  HA  LYS A  26      -1.654  -9.939  -0.320  1.00  0.00           H   new
ATOM      0  HB2 LYS A  26      -2.173 -11.412   1.414  1.00  0.00           H   new
ATOM      0  HB3 LYS A  26      -0.485 -11.268   1.863  1.00  0.00           H   new
ATOM      0  HG2 LYS A  26      -1.599  -8.989   3.045  1.00  0.00           H   new
ATOM      0  HG3 LYS A  26      -2.894 -10.159   3.212  1.00  0.00           H   new
ATOM      0  HD2 LYS A  26      -0.067 -10.304   4.309  1.00  0.00           H   new
ATOM      0  HD3 LYS A  26      -1.582 -10.496   5.170  1.00  0.00           H   new
ATOM      0  HE2 LYS A  26      -1.674 -12.551   3.224  1.00  0.00           H   new
ATOM      0  HE3 LYS A  26       0.003 -12.542   3.731  1.00  0.00           H   new
ATOM      0  HZ1 LYS A  26      -1.369 -13.859   5.263  1.00  0.00           H   new
ATOM      0  HZ2 LYS A  26      -0.731 -12.504   6.064  1.00  0.00           H   new
ATOM      0  HZ3 LYS A  26      -2.357 -12.513   5.573  1.00  0.00           H   new
ATOM    414  N   TRP A  27      -1.317  -7.193   0.621  1.00  0.00           N
ATOM    415  CA  TRP A  27      -1.974  -5.899   0.966  1.00  0.00           C
ATOM    416  C   TRP A  27      -1.130  -4.713   0.492  1.00  0.00           C
ATOM    417  O   TRP A  27      -0.049  -4.880  -0.037  1.00  0.00           O
ATOM    418  CB  TRP A  27      -2.095  -5.895   2.502  1.00  0.00           C
ATOM    419  CG  TRP A  27      -0.758  -6.138   3.147  1.00  0.00           C
ATOM    420  CD1 TRP A  27       0.390  -5.509   2.819  1.00  0.00           C
ATOM    421  CD2 TRP A  27      -0.422  -7.028   4.260  1.00  0.00           C
ATOM    422  NE1 TRP A  27       1.409  -5.976   3.627  1.00  0.00           N
ATOM    423  CE2 TRP A  27       0.961  -6.907   4.526  1.00  0.00           C
ATOM    424  CE3 TRP A  27      -1.166  -7.928   5.047  1.00  0.00           C
ATOM    425  CZ2 TRP A  27       1.586  -7.638   5.527  1.00  0.00           C
ATOM    426  CZ3 TRP A  27      -0.537  -8.667   6.065  1.00  0.00           C
ATOM    427  CH2 TRP A  27       0.837  -8.523   6.302  1.00  0.00           C
ATOM      0  H   TRP A  27      -0.437  -7.119   0.111  1.00  0.00           H   new
ATOM      0  HA  TRP A  27      -2.945  -5.803   0.481  1.00  0.00           H   new
ATOM      0  HB2 TRP A  27      -2.496  -4.938   2.837  1.00  0.00           H   new
ATOM      0  HB3 TRP A  27      -2.800  -6.664   2.817  1.00  0.00           H   new
ATOM      0  HD1 TRP A  27       0.495  -4.760   2.048  1.00  0.00           H   new
ATOM      0  HE1 TRP A  27       2.378  -5.665   3.562  1.00  0.00           H   new
ATOM      0  HE3 TRP A  27      -2.224  -8.051   4.868  1.00  0.00           H   new
ATOM      0  HZ2 TRP A  27       2.645  -7.522   5.704  1.00  0.00           H   new
ATOM      0  HZ3 TRP A  27      -1.117  -9.350   6.668  1.00  0.00           H   new
ATOM      0  HH2 TRP A  27       1.315  -9.096   7.083  1.00  0.00           H   new
ATOM    438  N   CYS A  28      -1.607  -3.513   0.695  1.00  0.00           N
ATOM    439  CA  CYS A  28      -0.822  -2.316   0.276  1.00  0.00           C
ATOM    440  C   CYS A  28       0.415  -2.184   1.164  1.00  0.00           C
ATOM    441  O   CYS A  28       0.330  -1.786   2.308  1.00  0.00           O
ATOM    442  CB  CYS A  28      -1.776  -1.138   0.472  1.00  0.00           C
ATOM    443  SG  CYS A  28      -3.066  -1.214  -0.793  1.00  0.00           S
ATOM      0  H   CYS A  28      -2.506  -3.311   1.133  1.00  0.00           H   new
ATOM      0  HA  CYS A  28      -0.467  -2.373  -0.753  1.00  0.00           H   new
ATOM      0  HB2 CYS A  28      -2.221  -1.174   1.467  1.00  0.00           H   new
ATOM      0  HB3 CYS A  28      -1.232  -0.196   0.400  1.00  0.00           H   new
ATOM    448  N   VAL A  29       1.562  -2.538   0.651  1.00  0.00           N
ATOM    449  CA  VAL A  29       2.801  -2.456   1.474  1.00  0.00           C
ATOM    450  C   VAL A  29       3.484  -1.104   1.319  1.00  0.00           C
ATOM    451  O   VAL A  29       3.472  -0.504   0.263  1.00  0.00           O
ATOM    452  CB  VAL A  29       3.717  -3.544   0.933  1.00  0.00           C
ATOM    453  CG1 VAL A  29       2.979  -4.884   0.908  1.00  0.00           C
ATOM    454  CG2 VAL A  29       4.158  -3.176  -0.486  1.00  0.00           C
ATOM      0  H   VAL A  29       1.694  -2.880  -0.301  1.00  0.00           H   new
ATOM      0  HA  VAL A  29       2.572  -2.580   2.532  1.00  0.00           H   new
ATOM      0  HB  VAL A  29       4.591  -3.631   1.578  1.00  0.00           H   new
ATOM      0 HG11 VAL A  29       3.642  -5.657   0.519  1.00  0.00           H   new
ATOM      0 HG12 VAL A  29       2.668  -5.147   1.919  1.00  0.00           H   new
ATOM      0 HG13 VAL A  29       2.101  -4.804   0.268  1.00  0.00           H   new
ATOM      0 HG21 VAL A  29       4.814  -3.954  -0.876  1.00  0.00           H   new
ATOM      0 HG22 VAL A  29       3.281  -3.085  -1.127  1.00  0.00           H   new
ATOM      0 HG23 VAL A  29       4.693  -2.226  -0.466  1.00  0.00           H   new
ATOM    464  N   LEU A  30       4.110  -0.637   2.363  1.00  0.00           N
ATOM    465  CA  LEU A  30       4.823   0.661   2.282  1.00  0.00           C
ATOM    466  C   LEU A  30       5.653   0.715   1.000  1.00  0.00           C
ATOM    467  O   LEU A  30       6.330  -0.231   0.650  1.00  0.00           O
ATOM    468  CB  LEU A  30       5.727   0.708   3.519  1.00  0.00           C
ATOM    469  CG  LEU A  30       6.411  -0.649   3.731  1.00  0.00           C
ATOM    470  CD1 LEU A  30       7.905  -0.520   3.429  1.00  0.00           C
ATOM    471  CD2 LEU A  30       6.221  -1.087   5.185  1.00  0.00           C
ATOM      0  H   LEU A  30       4.157  -1.102   3.270  1.00  0.00           H   new
ATOM      0  HA  LEU A  30       4.139   1.509   2.258  1.00  0.00           H   new
ATOM      0  HB2 LEU A  30       6.480   1.487   3.398  1.00  0.00           H   new
ATOM      0  HB3 LEU A  30       5.138   0.967   4.399  1.00  0.00           H   new
ATOM      0  HG  LEU A  30       5.970  -1.390   3.064  1.00  0.00           H   new
ATOM      0 HD11 LEU A  30       8.391  -1.484   3.580  1.00  0.00           H   new
ATOM      0 HD12 LEU A  30       8.041  -0.202   2.395  1.00  0.00           H   new
ATOM      0 HD13 LEU A  30       8.349   0.218   4.097  1.00  0.00           H   new
ATOM      0 HD21 LEU A  30       6.705  -2.051   5.341  1.00  0.00           H   new
ATOM      0 HD22 LEU A  30       6.666  -0.346   5.849  1.00  0.00           H   new
ATOM      0 HD23 LEU A  30       5.157  -1.176   5.402  1.00  0.00           H   new