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+   -120:sc=   -0.01   (180deg=-0.211)
USER  MOD Single : A   6 MET CE  :methyl  170:sc=-0.00428   (180deg=-0.0404)
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=   -0.16  K(o=-0.16,f=-2.5!)
USER  MOD Single : A  12 SER OG  :   rot   72:sc=   0.103
USER  MOD Single : A  13 ASN     :      amide:sc=   -1.01! C(o=-1!,f=-5.9!)
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  -90:sc=    -0.4
USER  MOD Single : A  23 SER OG  :   rot  180:sc=       0
USER  MOD Single : A  26 LYS NZ  :NH3+   -148:sc= -0.0592   (180deg=-0.885)
USER  MOD -----------------------------------------------------------------
ATOM     35  N   LYS A   4      -4.783   1.552   3.944  1.00  0.00           N
ATOM     36  CA  LYS A   4      -3.565   1.672   4.791  1.00  0.00           C
ATOM     37  C   LYS A   4      -2.815   0.339   4.789  1.00  0.00           C
ATOM     38  O   LYS A   4      -3.365  -0.682   4.433  1.00  0.00           O
ATOM     39  CB  LYS A   4      -4.087   1.999   6.191  1.00  0.00           C
ATOM     40  CG  LYS A   4      -2.997   2.720   6.984  1.00  0.00           C
ATOM     41  CD  LYS A   4      -2.109   1.687   7.680  1.00  0.00           C
ATOM     42  CE  LYS A   4      -2.109   1.947   9.188  1.00  0.00           C
ATOM     43  NZ  LYS A   4      -3.468   1.547   9.646  1.00  0.00           N
ATOM      0  HA  LYS A   4      -2.873   2.435   4.434  1.00  0.00           H   new
ATOM      0  HB2 LYS A   4      -4.977   2.625   6.122  1.00  0.00           H   new
ATOM      0  HB3 LYS A   4      -4.381   1.084   6.705  1.00  0.00           H   new
ATOM      0  HG2 LYS A   4      -2.398   3.341   6.318  1.00  0.00           H   new
ATOM      0  HG3 LYS A   4      -3.447   3.385   7.721  1.00  0.00           H   new
ATOM      0  HD2 LYS A   4      -2.473   0.681   7.474  1.00  0.00           H   new
ATOM      0  HD3 LYS A   4      -1.093   1.744   7.290  1.00  0.00           H   new
ATOM      0  HE2 LYS A   4      -1.336   1.365   9.689  1.00  0.00           H   new
ATOM      0  HE3 LYS A   4      -1.911   2.996   9.408  1.00  0.00           H   new
ATOM      0  HZ1 LYS A   4      -3.944   2.365  10.076  1.00  0.00           H   new
ATOM      0  HZ2 LYS A   4      -4.023   1.211   8.833  1.00  0.00           H   new
ATOM      0  HZ3 LYS A   4      -3.387   0.785  10.349  1.00  0.00           H   new
ATOM     57  N   PHE A   5      -1.565   0.333   5.166  1.00  0.00           N
ATOM     58  CA  PHE A   5      -0.797  -0.945   5.162  1.00  0.00           C
ATOM     59  C   PHE A   5      -1.659  -2.093   5.688  1.00  0.00           C
ATOM     60  O   PHE A   5      -2.460  -1.921   6.585  1.00  0.00           O
ATOM     61  CB  PHE A   5       0.389  -0.711   6.096  1.00  0.00           C
ATOM     62  CG  PHE A   5       1.370  -1.856   5.965  1.00  0.00           C
ATOM     63  CD1 PHE A   5       1.875  -2.204   4.707  1.00  0.00           C
ATOM     64  CD2 PHE A   5       1.783  -2.561   7.103  1.00  0.00           C
ATOM     65  CE1 PHE A   5       2.797  -3.253   4.587  1.00  0.00           C
ATOM     66  CE2 PHE A   5       2.701  -3.612   6.981  1.00  0.00           C
ATOM     67  CZ  PHE A   5       3.209  -3.955   5.723  1.00  0.00           C
ATOM      0  H   PHE A   5      -1.044   1.154   5.475  1.00  0.00           H   new
ATOM      0  HA  PHE A   5      -0.479  -1.218   4.156  1.00  0.00           H   new
ATOM      0  HB2 PHE A   5       0.879   0.231   5.850  1.00  0.00           H   new
ATOM      0  HB3 PHE A   5       0.043  -0.631   7.127  1.00  0.00           H   new
ATOM      0  HD1 PHE A   5       1.554  -1.664   3.828  1.00  0.00           H   new
ATOM      0  HD2 PHE A   5       1.394  -2.294   8.074  1.00  0.00           H   new
ATOM      0  HE1 PHE A   5       3.189  -3.519   3.616  1.00  0.00           H   new
ATOM      0  HE2 PHE A   5       3.017  -4.158   7.858  1.00  0.00           H   new
ATOM      0  HZ  PHE A   5       3.920  -4.763   5.630  1.00  0.00           H   new
ATOM     77  N   MET A   6      -1.490  -3.260   5.131  1.00  0.00           N
ATOM     78  CA  MET A   6      -2.275  -4.451   5.576  1.00  0.00           C
ATOM     79  C   MET A   6      -3.715  -4.385   5.054  1.00  0.00           C
ATOM     80  O   MET A   6      -4.559  -5.164   5.451  1.00  0.00           O
ATOM     81  CB  MET A   6      -2.259  -4.423   7.111  1.00  0.00           C
ATOM     82  CG  MET A   6      -0.867  -4.027   7.614  1.00  0.00           C
ATOM     83  SD  MET A   6      -0.613  -4.704   9.274  1.00  0.00           S
ATOM     84  CE  MET A   6      -0.106  -6.365   8.768  1.00  0.00           C
ATOM      0  H   MET A   6      -0.831  -3.444   4.374  1.00  0.00           H   new
ATOM      0  HA  MET A   6      -1.842  -5.373   5.188  1.00  0.00           H   new
ATOM      0  HB2 MET A   6      -3.002  -3.715   7.478  1.00  0.00           H   new
ATOM      0  HB3 MET A   6      -2.531  -5.403   7.504  1.00  0.00           H   new
ATOM      0  HG2 MET A   6      -0.102  -4.403   6.935  1.00  0.00           H   new
ATOM      0  HG3 MET A   6      -0.770  -2.941   7.633  1.00  0.00           H   new
ATOM      0  HE1 MET A   6       0.273  -6.909   9.633  1.00  0.00           H   new
ATOM      0  HE2 MET A   6      -0.962  -6.896   8.352  1.00  0.00           H   new
ATOM      0  HE3 MET A   6       0.677  -6.292   8.013  1.00  0.00           H   new
ATOM     94  N   TRP A   7      -4.008  -3.468   4.172  1.00  0.00           N
ATOM     95  CA  TRP A   7      -5.400  -3.371   3.639  1.00  0.00           C
ATOM     96  C   TRP A   7      -5.531  -4.112   2.304  1.00  0.00           C
ATOM     97  O   TRP A   7      -4.768  -3.897   1.383  1.00  0.00           O
ATOM     98  CB  TRP A   7      -5.654  -1.880   3.433  1.00  0.00           C
ATOM     99  CG  TRP A   7      -6.081  -1.265   4.723  1.00  0.00           C
ATOM    100  CD1 TRP A   7      -5.545  -1.540   5.933  1.00  0.00           C
ATOM    101  CD2 TRP A   7      -7.124  -0.281   4.950  1.00  0.00           C
ATOM    102  NE1 TRP A   7      -6.201  -0.782   6.890  1.00  0.00           N
ATOM    103  CE2 TRP A   7      -7.179   0.006   6.331  1.00  0.00           C
ATOM    104  CE3 TRP A   7      -8.017   0.383   4.098  1.00  0.00           C
ATOM    105  CZ2 TRP A   7      -8.086   0.918   6.853  1.00  0.00           C
ATOM    106  CZ3 TRP A   7      -8.940   1.309   4.618  1.00  0.00           C
ATOM    107  CH2 TRP A   7      -8.974   1.575   5.995  1.00  0.00           C
ATOM      0  H   TRP A   7      -3.349  -2.785   3.798  1.00  0.00           H   new
ATOM      0  HA  TRP A   7      -6.117  -3.823   4.324  1.00  0.00           H   new
ATOM      0  HB2 TRP A   7      -4.750  -1.393   3.068  1.00  0.00           H   new
ATOM      0  HB3 TRP A   7      -6.424  -1.733   2.675  1.00  0.00           H   new
ATOM      0  HD1 TRP A   7      -4.740  -2.235   6.122  1.00  0.00           H   new
ATOM      0  HE1 TRP A   7      -5.985  -0.806   7.887  1.00  0.00           H   new
ATOM      0  HE3 TRP A   7      -7.997   0.183   3.037  1.00  0.00           H   new
ATOM      0  HZ2 TRP A   7      -8.106   1.119   7.914  1.00  0.00           H   new
ATOM      0  HZ3 TRP A   7      -9.625   1.817   3.955  1.00  0.00           H   new
ATOM      0  HH2 TRP A   7      -9.684   2.285   6.392  1.00  0.00           H   new
ATOM    118  N   LYS A   8      -6.508  -4.976   2.193  1.00  0.00           N
ATOM    119  CA  LYS A   8      -6.710  -5.725   0.919  1.00  0.00           C
ATOM    120  C   LYS A   8      -6.821  -4.741  -0.247  1.00  0.00           C
ATOM    121  O   LYS A   8      -7.512  -3.745  -0.169  1.00  0.00           O
ATOM    122  CB  LYS A   8      -8.025  -6.484   1.107  1.00  0.00           C
ATOM    123  CG  LYS A   8      -7.848  -7.935   0.657  1.00  0.00           C
ATOM    124  CD  LYS A   8      -7.215  -8.748   1.788  1.00  0.00           C
ATOM    125  CE  LYS A   8      -8.277  -9.635   2.441  1.00  0.00           C
ATOM    126  NZ  LYS A   8      -7.579 -10.919   2.730  1.00  0.00           N
ATOM      0  H   LYS A   8      -7.175  -5.194   2.933  1.00  0.00           H   new
ATOM      0  HA  LYS A   8      -5.883  -6.399   0.696  1.00  0.00           H   new
ATOM      0  HB2 LYS A   8      -8.329  -6.452   2.153  1.00  0.00           H   new
ATOM      0  HB3 LYS A   8      -8.817  -6.008   0.530  1.00  0.00           H   new
ATOM      0  HG2 LYS A   8      -8.813  -8.362   0.384  1.00  0.00           H   new
ATOM      0  HG3 LYS A   8      -7.218  -7.977  -0.232  1.00  0.00           H   new
ATOM      0  HD2 LYS A   8      -6.404  -9.363   1.397  1.00  0.00           H   new
ATOM      0  HD3 LYS A   8      -6.779  -8.079   2.530  1.00  0.00           H   new
ATOM      0  HE2 LYS A   8      -8.664  -9.182   3.354  1.00  0.00           H   new
ATOM      0  HE3 LYS A   8      -9.127  -9.788   1.776  1.00  0.00           H   new
ATOM      0  HZ1 LYS A   8      -8.243 -11.581   3.180  1.00  0.00           H   new
ATOM      0  HZ2 LYS A   8      -7.227 -11.331   1.842  1.00  0.00           H   new
ATOM      0  HZ3 LYS A   8      -6.779 -10.743   3.370  1.00  0.00           H   new
ATOM    140  N   CYS A   9      -6.132  -5.005  -1.320  1.00  0.00           N
ATOM    141  CA  CYS A   9      -6.176  -4.079  -2.485  1.00  0.00           C
ATOM    142  C   CYS A   9      -6.326  -4.867  -3.791  1.00  0.00           C
ATOM    143  O   CYS A   9      -6.379  -6.080  -3.790  1.00  0.00           O
ATOM    144  CB  CYS A   9      -4.832  -3.348  -2.454  1.00  0.00           C
ATOM    145  SG  CYS A   9      -3.511  -4.488  -1.956  1.00  0.00           S
ATOM      0  H   CYS A   9      -5.538  -5.825  -1.441  1.00  0.00           H   new
ATOM      0  HA  CYS A   9      -7.021  -3.392  -2.434  1.00  0.00           H   new
ATOM      0  HB2 CYS A   9      -4.613  -2.933  -3.438  1.00  0.00           H   new
ATOM      0  HB3 CYS A   9      -4.881  -2.510  -1.758  1.00  0.00           H   new
ATOM    150  N   LYS A  10      -6.394  -4.185  -4.904  1.00  0.00           N
ATOM    151  CA  LYS A  10      -6.539  -4.897  -6.208  1.00  0.00           C
ATOM    152  C   LYS A  10      -5.203  -4.907  -6.954  1.00  0.00           C
ATOM    153  O   LYS A  10      -4.926  -5.783  -7.750  1.00  0.00           O
ATOM    154  CB  LYS A  10      -7.609  -4.104  -6.972  1.00  0.00           C
ATOM    155  CG  LYS A  10      -6.988  -2.945  -7.764  1.00  0.00           C
ATOM    156  CD  LYS A  10      -6.960  -3.305  -9.251  1.00  0.00           C
ATOM    157  CE  LYS A  10      -6.444  -2.112 -10.057  1.00  0.00           C
ATOM    158  NZ  LYS A  10      -7.077  -2.250 -11.398  1.00  0.00           N
ATOM      0  H   LYS A  10      -6.356  -3.168  -4.967  1.00  0.00           H   new
ATOM      0  HA  LYS A  10      -6.828  -5.941  -6.090  1.00  0.00           H   new
ATOM      0  HB2 LYS A  10      -8.140  -4.769  -7.653  1.00  0.00           H   new
ATOM      0  HB3 LYS A  10      -8.345  -3.713  -6.270  1.00  0.00           H   new
ATOM      0  HG2 LYS A  10      -7.566  -2.034  -7.610  1.00  0.00           H   new
ATOM      0  HG3 LYS A  10      -5.977  -2.746  -7.407  1.00  0.00           H   new
ATOM      0  HD2 LYS A  10      -6.319  -4.172  -9.414  1.00  0.00           H   new
ATOM      0  HD3 LYS A  10      -7.959  -3.580  -9.588  1.00  0.00           H   new
ATOM      0  HE2 LYS A  10      -6.719  -1.169  -9.586  1.00  0.00           H   new
ATOM      0  HE3 LYS A  10      -5.357  -2.126 -10.131  1.00  0.00           H   new
ATOM      0  HZ1 LYS A  10      -6.770  -1.466 -12.009  1.00  0.00           H   new
ATOM      0  HZ2 LYS A  10      -6.791  -3.154 -11.825  1.00  0.00           H   new
ATOM      0  HZ3 LYS A  10      -8.112  -2.226 -11.297  1.00  0.00           H   new
ATOM    172  N   ASN A  11      -4.376  -3.936  -6.694  1.00  0.00           N
ATOM    173  CA  ASN A  11      -3.052  -3.871  -7.376  1.00  0.00           C
ATOM    174  C   ASN A  11      -2.269  -2.638  -6.913  1.00  0.00           C
ATOM    175  O   ASN A  11      -1.058  -2.665  -6.819  1.00  0.00           O
ATOM    176  CB  ASN A  11      -3.368  -3.772  -8.868  1.00  0.00           C
ATOM    177  CG  ASN A  11      -2.235  -4.413  -9.670  1.00  0.00           C
ATOM    178  OD1 ASN A  11      -1.531  -5.269  -9.170  1.00  0.00           O
ATOM    179  ND2 ASN A  11      -2.026  -4.033 -10.901  1.00  0.00           N
ATOM      0  H   ASN A  11      -4.560  -3.179  -6.035  1.00  0.00           H   new
ATOM      0  HA  ASN A  11      -2.437  -4.741  -7.148  1.00  0.00           H   new
ATOM      0  HB2 ASN A  11      -4.311  -4.273  -9.085  1.00  0.00           H   new
ATOM      0  HB3 ASN A  11      -3.488  -2.728  -9.157  1.00  0.00           H   new
ATOM      0 HD21 ASN A  11      -1.272  -4.454 -11.444  1.00  0.00           H   new
ATOM      0 HD22 ASN A  11      -2.617  -3.315 -11.320  1.00  0.00           H   new
ATOM    186  N   SER A  12      -2.943  -1.555  -6.625  1.00  0.00           N
ATOM    187  CA  SER A  12      -2.221  -0.330  -6.170  1.00  0.00           C
ATOM    188  C   SER A  12      -3.161   0.879  -6.127  1.00  0.00           C
ATOM    189  O   SER A  12      -3.060   1.725  -5.260  1.00  0.00           O
ATOM    190  CB  SER A  12      -1.119  -0.107  -7.204  1.00  0.00           C
ATOM    191  OG  SER A  12       0.146  -0.128  -6.556  1.00  0.00           O
ATOM      0  H   SER A  12      -3.957  -1.466  -6.685  1.00  0.00           H   new
ATOM      0  HA  SER A  12      -1.824  -0.451  -5.162  1.00  0.00           H   new
ATOM      0  HB2 SER A  12      -1.161  -0.882  -7.970  1.00  0.00           H   new
ATOM      0  HB3 SER A  12      -1.266   0.848  -7.709  1.00  0.00           H   new
ATOM      0  HG  SER A  12       0.358  -1.045  -6.283  1.00  0.00           H   new
ATOM    197  N   ASN A  13      -4.067   0.972  -7.058  1.00  0.00           N
ATOM    198  CA  ASN A  13      -5.006   2.131  -7.076  1.00  0.00           C
ATOM    199  C   ASN A  13      -5.836   2.169  -5.790  1.00  0.00           C
ATOM    200  O   ASN A  13      -6.503   3.143  -5.498  1.00  0.00           O
ATOM    201  CB  ASN A  13      -5.903   1.893  -8.290  1.00  0.00           C
ATOM    202  CG  ASN A  13      -5.038   1.773  -9.546  1.00  0.00           C
ATOM    203  OD1 ASN A  13      -3.835   1.624  -9.458  1.00  0.00           O
ATOM    204  ND2 ASN A  13      -5.604   1.833 -10.719  1.00  0.00           N
ATOM      0  H   ASN A  13      -4.200   0.295  -7.810  1.00  0.00           H   new
ATOM      0  HA  ASN A  13      -4.481   3.084  -7.136  1.00  0.00           H   new
ATOM      0  HB2 ASN A  13      -6.489   0.984  -8.150  1.00  0.00           H   new
ATOM      0  HB3 ASN A  13      -6.611   2.715  -8.400  1.00  0.00           H   new
ATOM      0 HD21 ASN A  13      -5.037   1.755 -11.563  1.00  0.00           H   new
ATOM      0 HD22 ASN A  13      -6.614   1.958 -10.792  1.00  0.00           H   new
ATOM    211  N   ASP A  14      -5.802   1.120  -5.018  1.00  0.00           N
ATOM    212  CA  ASP A  14      -6.590   1.102  -3.754  1.00  0.00           C
ATOM    213  C   ASP A  14      -5.702   1.501  -2.568  1.00  0.00           C
ATOM    214  O   ASP A  14      -6.185   1.840  -1.506  1.00  0.00           O
ATOM    215  CB  ASP A  14      -7.064  -0.343  -3.608  1.00  0.00           C
ATOM    216  CG  ASP A  14      -7.721  -0.795  -4.913  1.00  0.00           C
ATOM    217  OD1 ASP A  14      -7.947   0.052  -5.762  1.00  0.00           O
ATOM    218  OD2 ASP A  14      -7.987  -1.979  -5.042  1.00  0.00           O
ATOM      0  H   ASP A  14      -5.263   0.275  -5.207  1.00  0.00           H   new
ATOM      0  HA  ASP A  14      -7.422   1.805  -3.775  1.00  0.00           H   new
ATOM      0  HB2 ASP A  14      -6.221  -0.992  -3.368  1.00  0.00           H   new
ATOM      0  HB3 ASP A  14      -7.773  -0.424  -2.784  1.00  0.00           H   new
ATOM    223  N   CYS A  15      -4.409   1.453  -2.741  1.00  0.00           N
ATOM    224  CA  CYS A  15      -3.491   1.816  -1.625  1.00  0.00           C
ATOM    225  C   CYS A  15      -3.309   3.333  -1.526  1.00  0.00           C
ATOM    226  O   CYS A  15      -3.662   4.077  -2.420  1.00  0.00           O
ATOM    227  CB  CYS A  15      -2.172   1.147  -1.996  1.00  0.00           C
ATOM    228  SG  CYS A  15      -2.456  -0.624  -2.211  1.00  0.00           S
ATOM      0  H   CYS A  15      -3.949   1.178  -3.609  1.00  0.00           H   new
ATOM      0  HA  CYS A  15      -3.875   1.494  -0.657  1.00  0.00           H   new
ATOM      0  HB2 CYS A  15      -1.775   1.580  -2.914  1.00  0.00           H   new
ATOM      0  HB3 CYS A  15      -1.430   1.318  -1.216  1.00  0.00           H   new
ATOM    233  N   CYS A  16      -2.749   3.790  -0.437  1.00  0.00           N
ATOM    234  CA  CYS A  16      -2.525   5.258  -0.261  1.00  0.00           C
ATOM    235  C   CYS A  16      -1.131   5.659  -0.744  1.00  0.00           C
ATOM    236  O   CYS A  16      -0.353   4.839  -1.192  1.00  0.00           O
ATOM    237  CB  CYS A  16      -2.649   5.513   1.237  1.00  0.00           C
ATOM    238  SG  CYS A  16      -3.952   6.732   1.545  1.00  0.00           S
ATOM      0  H   CYS A  16      -2.436   3.209   0.341  1.00  0.00           H   new
ATOM      0  HA  CYS A  16      -3.242   5.840  -0.840  1.00  0.00           H   new
ATOM      0  HB2 CYS A  16      -2.879   4.582   1.756  1.00  0.00           H   new
ATOM      0  HB3 CYS A  16      -1.700   5.873   1.634  1.00  0.00           H   new
ATOM      0  HG  CYS A  16      -4.055   6.944   2.824  1.00  0.00           H   new
ATOM    243  N   LYS A  17      -0.812   6.922  -0.653  1.00  0.00           N
ATOM    244  CA  LYS A  17       0.523   7.398  -1.098  1.00  0.00           C
ATOM    245  C   LYS A  17       1.630   6.596  -0.410  1.00  0.00           C
ATOM    246  O   LYS A  17       1.440   6.050   0.659  1.00  0.00           O
ATOM    247  CB  LYS A  17       0.579   8.862  -0.664  1.00  0.00           C
ATOM    248  CG  LYS A  17       1.869   9.501  -1.178  1.00  0.00           C
ATOM    249  CD  LYS A  17       1.620  10.110  -2.558  1.00  0.00           C
ATOM    250  CE  LYS A  17       0.937  11.470  -2.398  1.00  0.00           C
ATOM    251  NZ  LYS A  17       0.360  11.767  -3.740  1.00  0.00           N
ATOM      0  H   LYS A  17      -1.427   7.648  -0.286  1.00  0.00           H   new
ATOM      0  HA  LYS A  17       0.667   7.280  -2.172  1.00  0.00           H   new
ATOM      0  HB2 LYS A  17      -0.285   9.400  -1.053  1.00  0.00           H   new
ATOM      0  HB3 LYS A  17       0.535   8.931   0.423  1.00  0.00           H   new
ATOM      0  HG2 LYS A  17       2.208  10.271  -0.485  1.00  0.00           H   new
ATOM      0  HG3 LYS A  17       2.660   8.753  -1.236  1.00  0.00           H   new
ATOM      0  HD2 LYS A  17       2.563  10.225  -3.092  1.00  0.00           H   new
ATOM      0  HD3 LYS A  17       0.995   9.445  -3.154  1.00  0.00           H   new
ATOM      0  HE2 LYS A  17       0.161  11.435  -1.633  1.00  0.00           H   new
ATOM      0  HE3 LYS A  17       1.650  12.237  -2.095  1.00  0.00           H   new
ATOM      0  HZ1 LYS A  17      -0.127  12.686  -3.713  1.00  0.00           H   new
ATOM      0  HZ2 LYS A  17       1.123  11.800  -4.446  1.00  0.00           H   new
ATOM      0  HZ3 LYS A  17      -0.319  11.023  -3.998  1.00  0.00           H   new
ATOM    265  N   ASP A  18       2.785   6.519  -1.013  1.00  0.00           N
ATOM    266  CA  ASP A  18       3.895   5.747  -0.388  1.00  0.00           C
ATOM    267  C   ASP A  18       3.405   4.341  -0.045  1.00  0.00           C
ATOM    268  O   ASP A  18       3.889   3.704   0.870  1.00  0.00           O
ATOM    269  CB  ASP A  18       4.249   6.518   0.884  1.00  0.00           C
ATOM    270  CG  ASP A  18       5.251   7.626   0.548  1.00  0.00           C
ATOM    271  OD1 ASP A  18       5.608   7.739  -0.612  1.00  0.00           O
ATOM    272  OD2 ASP A  18       5.641   8.341   1.457  1.00  0.00           O
ATOM      0  H   ASP A  18       3.007   6.956  -1.908  1.00  0.00           H   new
ATOM      0  HA  ASP A  18       4.757   5.641  -1.046  1.00  0.00           H   new
ATOM      0  HB2 ASP A  18       3.349   6.948   1.324  1.00  0.00           H   new
ATOM      0  HB3 ASP A  18       4.674   5.842   1.626  1.00  0.00           H   new
ATOM    277  N   LEU A  19       2.436   3.860  -0.774  1.00  0.00           N
ATOM    278  CA  LEU A  19       1.897   2.501  -0.498  1.00  0.00           C
ATOM    279  C   LEU A  19       1.447   1.828  -1.799  1.00  0.00           C
ATOM    280  O   LEU A  19       0.880   2.456  -2.671  1.00  0.00           O
ATOM    281  CB  LEU A  19       0.704   2.742   0.424  1.00  0.00           C
ATOM    282  CG  LEU A  19       0.405   1.469   1.214  1.00  0.00           C
ATOM    283  CD1 LEU A  19       1.512   1.234   2.241  1.00  0.00           C
ATOM    284  CD2 LEU A  19      -0.933   1.626   1.937  1.00  0.00           C
ATOM      0  H   LEU A  19       1.994   4.352  -1.551  1.00  0.00           H   new
ATOM      0  HA  LEU A  19       2.640   1.842  -0.049  1.00  0.00           H   new
ATOM      0  HB2 LEU A  19       0.919   3.564   1.107  1.00  0.00           H   new
ATOM      0  HB3 LEU A  19      -0.168   3.033  -0.161  1.00  0.00           H   new
ATOM      0  HG  LEU A  19       0.356   0.620   0.532  1.00  0.00           H   new
ATOM      0 HD11 LEU A  19       1.299   0.326   2.805  1.00  0.00           H   new
ATOM      0 HD12 LEU A  19       2.468   1.126   1.728  1.00  0.00           H   new
ATOM      0 HD13 LEU A  19       1.560   2.082   2.924  1.00  0.00           H   new
ATOM      0 HD21 LEU A  19      -1.150   0.719   2.502  1.00  0.00           H   new
ATOM      0 HD22 LEU A  19      -0.881   2.475   2.619  1.00  0.00           H   new
ATOM      0 HD23 LEU A  19      -1.724   1.796   1.206  1.00  0.00           H   new
ATOM    296  N   VAL A  20       1.695   0.552  -1.935  1.00  0.00           N
ATOM    297  CA  VAL A  20       1.280  -0.161  -3.178  1.00  0.00           C
ATOM    298  C   VAL A  20       0.874  -1.602  -2.854  1.00  0.00           C
ATOM    299  O   VAL A  20       1.513  -2.278  -2.075  1.00  0.00           O
ATOM    300  CB  VAL A  20       2.517  -0.151  -4.077  1.00  0.00           C
ATOM    301  CG1 VAL A  20       3.032   1.280  -4.230  1.00  0.00           C
ATOM    302  CG2 VAL A  20       3.609  -1.022  -3.450  1.00  0.00           C
ATOM      0  H   VAL A  20       2.166  -0.026  -1.240  1.00  0.00           H   new
ATOM      0  HA  VAL A  20       0.423   0.315  -3.654  1.00  0.00           H   new
ATOM      0  HB  VAL A  20       2.253  -0.546  -5.058  1.00  0.00           H   new
ATOM      0 HG11 VAL A  20       3.913   1.283  -4.871  1.00  0.00           H   new
ATOM      0 HG12 VAL A  20       2.256   1.900  -4.678  1.00  0.00           H   new
ATOM      0 HG13 VAL A  20       3.295   1.679  -3.250  1.00  0.00           H   new
ATOM      0 HG21 VAL A  20       4.491  -1.016  -4.090  1.00  0.00           H   new
ATOM      0 HG22 VAL A  20       3.870  -0.627  -2.468  1.00  0.00           H   new
ATOM      0 HG23 VAL A  20       3.244  -2.044  -3.345  1.00  0.00           H   new
ATOM    312  N   CYS A  21      -0.182  -2.076  -3.450  1.00  0.00           N
ATOM    313  CA  CYS A  21      -0.630  -3.475  -3.184  1.00  0.00           C
ATOM    314  C   CYS A  21       0.533  -4.453  -3.382  1.00  0.00           C
ATOM    315  O   CYS A  21       1.440  -4.193  -4.147  1.00  0.00           O
ATOM    316  CB  CYS A  21      -1.718  -3.729  -4.227  1.00  0.00           C
ATOM    317  SG  CYS A  21      -2.732  -5.125  -3.702  1.00  0.00           S
ATOM      0  H   CYS A  21      -0.758  -1.556  -4.112  1.00  0.00           H   new
ATOM      0  HA  CYS A  21      -0.988  -3.612  -2.164  1.00  0.00           H   new
ATOM      0  HB2 CYS A  21      -2.337  -2.840  -4.348  1.00  0.00           H   new
ATOM      0  HB3 CYS A  21      -1.267  -3.937  -5.197  1.00  0.00           H   new
ATOM    322  N   SER A  22       0.522  -5.579  -2.710  1.00  0.00           N
ATOM    323  CA  SER A  22       1.642  -6.542  -2.895  1.00  0.00           C
ATOM    324  C   SER A  22       1.161  -7.981  -2.713  1.00  0.00           C
ATOM    325  O   SER A  22       0.702  -8.367  -1.652  1.00  0.00           O
ATOM    326  CB  SER A  22       2.665  -6.172  -1.825  1.00  0.00           C
ATOM    327  OG  SER A  22       3.967  -6.194  -2.395  1.00  0.00           O
ATOM      0  H   SER A  22      -0.203  -5.866  -2.053  1.00  0.00           H   new
ATOM      0  HA  SER A  22       2.064  -6.486  -3.899  1.00  0.00           H   new
ATOM      0  HB2 SER A  22       2.447  -5.182  -1.424  1.00  0.00           H   new
ATOM      0  HB3 SER A  22       2.608  -6.873  -0.992  1.00  0.00           H   new
ATOM      0  HG  SER A  22       4.352  -7.090  -2.297  1.00  0.00           H   new
ATOM    333  N   SER A  23       1.277  -8.778  -3.746  1.00  0.00           N
ATOM    334  CA  SER A  23       0.854 -10.196  -3.647  1.00  0.00           C
ATOM    335  C   SER A  23       1.684 -10.882  -2.566  1.00  0.00           C
ATOM    336  O   SER A  23       1.288 -11.876  -1.989  1.00  0.00           O
ATOM    337  CB  SER A  23       1.148 -10.796  -5.022  1.00  0.00           C
ATOM    338  OG  SER A  23       1.649 -12.116  -4.863  1.00  0.00           O
ATOM      0  H   SER A  23       1.649  -8.500  -4.654  1.00  0.00           H   new
ATOM      0  HA  SER A  23      -0.197 -10.313  -3.382  1.00  0.00           H   new
ATOM      0  HB2 SER A  23       0.241 -10.810  -5.627  1.00  0.00           H   new
ATOM      0  HB3 SER A  23       1.875 -10.180  -5.552  1.00  0.00           H   new
ATOM      0  HG  SER A  23       1.837 -12.503  -5.744  1.00  0.00           H   new
ATOM    344  N   ARG A  24       2.833 -10.333  -2.278  1.00  0.00           N
ATOM    345  CA  ARG A  24       3.700 -10.916  -1.221  1.00  0.00           C
ATOM    346  C   ARG A  24       3.167 -10.480   0.137  1.00  0.00           C
ATOM    347  O   ARG A  24       3.100 -11.250   1.075  1.00  0.00           O
ATOM    348  CB  ARG A  24       5.086 -10.323  -1.473  1.00  0.00           C
ATOM    349  CG  ARG A  24       6.151 -11.215  -0.834  1.00  0.00           C
ATOM    350  CD  ARG A  24       7.457 -10.429  -0.698  1.00  0.00           C
ATOM    351  NE  ARG A  24       7.923 -10.696   0.691  1.00  0.00           N
ATOM    352  CZ  ARG A  24       8.726 -11.697   0.926  1.00  0.00           C
ATOM    353  NH1 ARG A  24       8.898 -12.621   0.020  1.00  0.00           N
ATOM    354  NH2 ARG A  24       9.355 -11.776   2.067  1.00  0.00           N
ATOM      0  H   ARG A  24       3.208  -9.501  -2.734  1.00  0.00           H   new
ATOM      0  HA  ARG A  24       3.727 -12.006  -1.237  1.00  0.00           H   new
ATOM      0  HB2 ARG A  24       5.266 -10.236  -2.545  1.00  0.00           H   new
ATOM      0  HB3 ARG A  24       5.143  -9.317  -1.057  1.00  0.00           H   new
ATOM      0  HG2 ARG A  24       5.815 -11.556   0.145  1.00  0.00           H   new
ATOM      0  HG3 ARG A  24       6.310 -12.104  -1.444  1.00  0.00           H   new
ATOM      0  HD2 ARG A  24       8.194 -10.757  -1.432  1.00  0.00           H   new
ATOM      0  HD3 ARG A  24       7.296  -9.364  -0.863  1.00  0.00           H   new
ATOM      0  HE  ARG A  24       7.615 -10.097   1.457  1.00  0.00           H   new
ATOM      0 HH11 ARG A  24       8.405 -12.560  -0.871  1.00  0.00           H   new
ATOM      0 HH12 ARG A  24       9.526 -13.404   0.203  1.00  0.00           H   new
ATOM      0 HH21 ARG A  24       9.219 -11.055   2.775  1.00  0.00           H   new
ATOM      0 HH22 ARG A  24       9.983 -12.559   2.250  1.00  0.00           H   new
ATOM    368  N   TRP A  25       2.764  -9.246   0.238  1.00  0.00           N
ATOM    369  CA  TRP A  25       2.203  -8.751   1.523  1.00  0.00           C
ATOM    370  C   TRP A  25       0.689  -8.875   1.504  1.00  0.00           C
ATOM    371  O   TRP A  25       0.022  -8.492   2.424  1.00  0.00           O
ATOM    372  CB  TRP A  25       2.611  -7.296   1.635  1.00  0.00           C
ATOM    373  CG  TRP A  25       4.098  -7.214   1.638  1.00  0.00           C
ATOM    374  CD1 TRP A  25       4.859  -6.771   0.612  1.00  0.00           C
ATOM    375  CD2 TRP A  25       5.021  -7.595   2.698  1.00  0.00           C
ATOM    376  NE1 TRP A  25       6.190  -6.849   0.979  1.00  0.00           N
ATOM    377  CE2 TRP A  25       6.338  -7.349   2.252  1.00  0.00           C
ATOM    378  CE3 TRP A  25       4.846  -8.122   3.994  1.00  0.00           C
ATOM    379  CZ2 TRP A  25       7.442  -7.612   3.048  1.00  0.00           C
ATOM    380  CZ3 TRP A  25       5.963  -8.390   4.804  1.00  0.00           C
ATOM    381  CH2 TRP A  25       7.260  -8.135   4.332  1.00  0.00           C
ATOM      0  H   TRP A  25       2.799  -8.558  -0.515  1.00  0.00           H   new
ATOM      0  HA  TRP A  25       2.573  -9.327   2.371  1.00  0.00           H   new
ATOM      0  HB2 TRP A  25       2.203  -6.724   0.801  1.00  0.00           H   new
ATOM      0  HB3 TRP A  25       2.207  -6.860   2.549  1.00  0.00           H   new
ATOM      0  HD1 TRP A  25       4.488  -6.415  -0.338  1.00  0.00           H   new
ATOM      0  HE1 TRP A  25       6.967  -6.570   0.379  1.00  0.00           H   new
ATOM      0  HE3 TRP A  25       3.851  -8.320   4.365  1.00  0.00           H   new
ATOM      0  HZ2 TRP A  25       8.437  -7.414   2.678  1.00  0.00           H   new
ATOM      0  HZ3 TRP A  25       5.822  -8.795   5.795  1.00  0.00           H   new
ATOM      0  HH2 TRP A  25       8.115  -8.342   4.959  1.00  0.00           H   new
ATOM    392  N   LYS A  26       0.143  -9.430   0.465  1.00  0.00           N
ATOM    393  CA  LYS A  26      -1.335  -9.615   0.407  1.00  0.00           C
ATOM    394  C   LYS A  26      -2.050  -8.303   0.711  1.00  0.00           C
ATOM    395  O   LYS A  26      -3.174  -8.297   1.170  1.00  0.00           O
ATOM    396  CB  LYS A  26      -1.714 -10.667   1.481  1.00  0.00           C
ATOM    397  CG  LYS A  26      -0.484 -11.282   2.183  1.00  0.00           C
ATOM    398  CD  LYS A  26      -0.327 -10.677   3.582  1.00  0.00           C
ATOM    399  CE  LYS A  26      -0.563 -11.761   4.638  1.00  0.00           C
ATOM    400  NZ  LYS A  26      -1.950 -12.246   4.388  1.00  0.00           N
ATOM      0  H   LYS A  26       0.654  -9.766  -0.351  1.00  0.00           H   new
ATOM      0  HA  LYS A  26      -1.633  -9.942  -0.589  1.00  0.00           H   new
ATOM      0  HB2 LYS A  26      -2.356 -10.201   2.228  1.00  0.00           H   new
ATOM      0  HB3 LYS A  26      -2.294 -11.463   1.014  1.00  0.00           H   new
ATOM      0  HG2 LYS A  26      -0.598 -12.364   2.255  1.00  0.00           H   new
ATOM      0  HG3 LYS A  26       0.414 -11.095   1.593  1.00  0.00           H   new
ATOM      0  HD2 LYS A  26       0.671 -10.254   3.697  1.00  0.00           H   new
ATOM      0  HD3 LYS A  26      -1.037  -9.861   3.718  1.00  0.00           H   new
ATOM      0  HE2 LYS A  26       0.161 -12.570   4.542  1.00  0.00           H   new
ATOM      0  HE3 LYS A  26      -0.461 -11.359   5.646  1.00  0.00           H   new
ATOM      0  HZ1 LYS A  26      -2.384 -12.537   5.288  1.00  0.00           H   new
ATOM      0  HZ2 LYS A  26      -2.514 -11.482   3.963  1.00  0.00           H   new
ATOM      0  HZ3 LYS A  26      -1.922 -13.058   3.739  1.00  0.00           H   new
ATOM    414  N   TRP A  27      -1.423  -7.196   0.447  1.00  0.00           N
ATOM    415  CA  TRP A  27      -2.094  -5.891   0.712  1.00  0.00           C
ATOM    416  C   TRP A  27      -1.161  -4.718   0.412  1.00  0.00           C
ATOM    417  O   TRP A  27      -0.018  -4.890   0.034  1.00  0.00           O
ATOM    418  CB  TRP A  27      -2.493  -5.899   2.196  1.00  0.00           C
ATOM    419  CG  TRP A  27      -1.327  -6.279   3.054  1.00  0.00           C
ATOM    420  CD1 TRP A  27      -0.094  -5.734   2.984  1.00  0.00           C
ATOM    421  CD2 TRP A  27      -1.269  -7.267   4.124  1.00  0.00           C
ATOM    422  NE1 TRP A  27       0.713  -6.338   3.931  1.00  0.00           N
ATOM    423  CE2 TRP A  27       0.039  -7.281   4.653  1.00  0.00           C
ATOM    424  CE3 TRP A  27      -2.206  -8.144   4.671  1.00  0.00           C
ATOM    425  CZ2 TRP A  27       0.407  -8.129   5.685  1.00  0.00           C
ATOM    426  CZ3 TRP A  27      -1.843  -9.008   5.718  1.00  0.00           C
ATOM    427  CH2 TRP A  27      -0.534  -8.998   6.225  1.00  0.00           C
ATOM      0  H   TRP A  27      -0.481  -7.134   0.062  1.00  0.00           H   new
ATOM      0  HA  TRP A  27      -2.965  -5.768   0.068  1.00  0.00           H   new
ATOM      0  HB2 TRP A  27      -2.858  -4.913   2.485  1.00  0.00           H   new
ATOM      0  HB3 TRP A  27      -3.312  -6.601   2.354  1.00  0.00           H   new
ATOM      0  HD1 TRP A  27       0.212  -4.955   2.301  1.00  0.00           H   new
ATOM      0  HE1 TRP A  27       1.696  -6.106   4.073  1.00  0.00           H   new
ATOM      0  HE3 TRP A  27      -3.216  -8.159   4.288  1.00  0.00           H   new
ATOM      0  HZ2 TRP A  27       1.417  -8.115   6.067  1.00  0.00           H   new
ATOM      0  HZ3 TRP A  27      -2.575  -9.684   6.135  1.00  0.00           H   new
ATOM      0  HH2 TRP A  27      -0.259  -9.662   7.031  1.00  0.00           H   new
ATOM    438  N   CYS A  28      -1.657  -3.524   0.577  1.00  0.00           N
ATOM    439  CA  CYS A  28      -0.835  -2.314   0.308  1.00  0.00           C
ATOM    440  C   CYS A  28       0.417  -2.319   1.187  1.00  0.00           C
ATOM    441  O   CYS A  28       0.353  -2.575   2.373  1.00  0.00           O
ATOM    442  CB  CYS A  28      -1.761  -1.151   0.666  1.00  0.00           C
ATOM    443  SG  CYS A  28      -3.200  -1.201  -0.426  1.00  0.00           S
ATOM      0  H   CYS A  28      -2.609  -3.334   0.891  1.00  0.00           H   new
ATOM      0  HA  CYS A  28      -0.482  -2.255  -0.721  1.00  0.00           H   new
ATOM      0  HB2 CYS A  28      -2.074  -1.224   1.708  1.00  0.00           H   new
ATOM      0  HB3 CYS A  28      -1.236  -0.202   0.556  1.00  0.00           H   new
ATOM    448  N   VAL A  29       1.558  -2.047   0.613  1.00  0.00           N
ATOM    449  CA  VAL A  29       2.813  -2.047   1.415  1.00  0.00           C
ATOM    450  C   VAL A  29       3.555  -0.721   1.261  1.00  0.00           C
ATOM    451  O   VAL A  29       3.416  -0.030   0.273  1.00  0.00           O
ATOM    452  CB  VAL A  29       3.649  -3.189   0.844  1.00  0.00           C
ATOM    453  CG1 VAL A  29       2.936  -4.519   1.094  1.00  0.00           C
ATOM    454  CG2 VAL A  29       3.829  -2.980  -0.660  1.00  0.00           C
ATOM      0  H   VAL A  29       1.674  -1.825  -0.376  1.00  0.00           H   new
ATOM      0  HA  VAL A  29       2.612  -2.173   2.479  1.00  0.00           H   new
ATOM      0  HB  VAL A  29       4.625  -3.206   1.330  1.00  0.00           H   new
ATOM      0 HG11 VAL A  29       3.533  -5.334   0.686  1.00  0.00           H   new
ATOM      0 HG12 VAL A  29       2.805  -4.666   2.166  1.00  0.00           H   new
ATOM      0 HG13 VAL A  29       1.960  -4.506   0.608  1.00  0.00           H   new
ATOM      0 HG21 VAL A  29       4.426  -3.794  -1.072  1.00  0.00           H   new
ATOM      0 HG22 VAL A  29       2.853  -2.965  -1.145  1.00  0.00           H   new
ATOM      0 HG23 VAL A  29       4.337  -2.032  -0.837  1.00  0.00           H   new
ATOM    464  N   LEU A  30       4.341  -0.364   2.239  1.00  0.00           N
ATOM    465  CA  LEU A  30       5.102   0.916   2.170  1.00  0.00           C
ATOM    466  C   LEU A  30       5.976   0.967   0.907  1.00  0.00           C
ATOM    467  O   LEU A  30       7.167   0.731   0.957  1.00  0.00           O
ATOM    468  CB  LEU A  30       5.969   0.936   3.432  1.00  0.00           C
ATOM    469  CG  LEU A  30       6.709  -0.398   3.588  1.00  0.00           C
ATOM    470  CD1 LEU A  30       8.173  -0.222   3.178  1.00  0.00           C
ATOM    471  CD2 LEU A  30       6.641  -0.846   5.052  1.00  0.00           C
ATOM      0  H   LEU A  30       4.490  -0.908   3.089  1.00  0.00           H   new
ATOM      0  HA  LEU A  30       4.438   1.779   2.118  1.00  0.00           H   new
ATOM      0  HB2 LEU A  30       6.687   1.754   3.376  1.00  0.00           H   new
ATOM      0  HB3 LEU A  30       5.346   1.119   4.307  1.00  0.00           H   new
ATOM      0  HG  LEU A  30       6.242  -1.150   2.952  1.00  0.00           H   new
ATOM      0 HD11 LEU A  30       8.699  -1.170   3.289  1.00  0.00           H   new
ATOM      0 HD12 LEU A  30       8.223   0.101   2.138  1.00  0.00           H   new
ATOM      0 HD13 LEU A  30       8.641   0.529   3.814  1.00  0.00           H   new
ATOM      0 HD21 LEU A  30       7.166  -1.794   5.167  1.00  0.00           H   new
ATOM      0 HD22 LEU A  30       7.110  -0.093   5.685  1.00  0.00           H   new
ATOM      0 HD23 LEU A  30       5.599  -0.970   5.346  1.00  0.00           H   new