USER  MOD reduce.3.24.130724 H: found=0, std=0, add=195, rem=0, adj=9
USER  MOD reduce.3.24.130724 removed 194 hydrogens (0 hets)
USER  MOD -----------------------------------------------------------------
USER  MOD scores for adjustable sidechains, with "set" totals for H,N and Q
USER  MOD "o" means original, "f" means flipped, "180deg" is methyl default
USER  MOD "!" flags a clash with an overlap of 0.40A or greater
USER  MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip
USER  MOD Set 1.1: A  17 SER OG  :   rot -156:sc=   0.612!
USER  MOD Set 1.2: A  25 TYR OH  :   rot   65:sc=    1.31
USER  MOD Single : A   1 VAL N   :NH3+    144:sc=   -1.85!  (180deg=-2.81!)
USER  MOD Single : A   3 HIS     :     no HD1:sc=       0  X(o=0,f=-0.071)
USER  MOD Single : A   8 THR OG1 :   rot -130:sc=  -0.111
USER  MOD Single : A  14 THR OG1 :   rot  140:sc=  -0.116
USER  MOD Single : A  15 THR OG1 :   rot  180:sc=       0
USER  MOD Single : A  19 SER OG  :   rot  126:sc=    1.26
USER  MOD Single : A  21 TYR OH  :   rot  180:sc=       0
USER  MOD Single : A  27 SER OG  :   rot  180:sc=   -1.36
USER  MOD -----------------------------------------------------------------
ATOM      1  N   VAL A   1       9.181   6.850   1.450  1.00  0.00           N
ATOM      2  CA  VAL A   1       8.024   5.936   1.674  1.00  0.00           C
ATOM      3  C   VAL A   1       7.267   5.708   0.363  1.00  0.00           C
ATOM      4  O   VAL A   1       6.760   6.632  -0.242  1.00  0.00           O
ATOM      5  CB  VAL A   1       7.136   6.663   2.684  1.00  0.00           C
ATOM      6  CG1 VAL A   1       7.876   6.793   4.016  1.00  0.00           C
ATOM      7  CG2 VAL A   1       6.796   8.055   2.150  1.00  0.00           C
ATOM      0  H1  VAL A   1       9.305   7.463   2.281  1.00  0.00           H   new
ATOM      0  H2  VAL A   1      10.044   6.288   1.302  1.00  0.00           H   new
ATOM      0  H3  VAL A   1       9.002   7.437   0.610  1.00  0.00           H   new
ATOM      0  HA  VAL A   1       8.336   4.956   2.035  1.00  0.00           H   new
ATOM      0  HB  VAL A   1       6.217   6.096   2.835  1.00  0.00           H   new
ATOM      0 HG11 VAL A   1       7.242   7.311   4.735  1.00  0.00           H   new
ATOM      0 HG12 VAL A   1       8.119   5.801   4.396  1.00  0.00           H   new
ATOM      0 HG13 VAL A   1       8.795   7.360   3.868  1.00  0.00           H   new
ATOM      0 HG21 VAL A   1       6.163   8.576   2.868  1.00  0.00           H   new
ATOM      0 HG22 VAL A   1       7.715   8.621   1.999  1.00  0.00           H   new
ATOM      0 HG23 VAL A   1       6.267   7.962   1.201  1.00  0.00           H   new
ATOM     19  N   ILE A   2       7.181   4.483  -0.078  1.00  0.00           N
ATOM     20  CA  ILE A   2       6.450   4.194  -1.346  1.00  0.00           C
ATOM     21  C   ILE A   2       5.115   4.946  -1.366  1.00  0.00           C
ATOM     22  O   ILE A   2       4.570   5.288  -0.335  1.00  0.00           O
ATOM     23  CB  ILE A   2       6.218   2.683  -1.327  1.00  0.00           C
ATOM     24  CG1 ILE A   2       7.566   1.959  -1.386  1.00  0.00           C
ATOM     25  CG2 ILE A   2       5.370   2.279  -2.535  1.00  0.00           C
ATOM     26  CD1 ILE A   2       8.278   2.303  -2.697  1.00  0.00           C
ATOM      0  H   ILE A   2       7.585   3.669   0.385  1.00  0.00           H   new
ATOM      0  HA  ILE A   2       7.004   4.510  -2.230  1.00  0.00           H   new
ATOM      0  HB  ILE A   2       5.697   2.409  -0.410  1.00  0.00           H   new
ATOM      0 HG12 ILE A   2       8.184   2.251  -0.537  1.00  0.00           H   new
ATOM      0 HG13 ILE A   2       7.415   0.882  -1.314  1.00  0.00           H   new
ATOM      0 HG21 ILE A   2       5.205   1.202  -2.520  1.00  0.00           H   new
ATOM      0 HG22 ILE A   2       4.410   2.793  -2.494  1.00  0.00           H   new
ATOM      0 HG23 ILE A   2       5.890   2.554  -3.453  1.00  0.00           H   new
ATOM      0 HD11 ILE A   2       9.237   1.787  -2.737  1.00  0.00           H   new
ATOM      0 HD12 ILE A   2       7.662   1.989  -3.539  1.00  0.00           H   new
ATOM      0 HD13 ILE A   2       8.443   3.379  -2.750  1.00  0.00           H   new
ATOM     38  N   HIS A   3       4.584   5.210  -2.530  1.00  0.00           N
ATOM     39  CA  HIS A   3       3.288   5.945  -2.608  1.00  0.00           C
ATOM     40  C   HIS A   3       2.311   5.217  -3.538  1.00  0.00           C
ATOM     41  O   HIS A   3       1.244   4.803  -3.130  1.00  0.00           O
ATOM     42  CB  HIS A   3       3.647   7.317  -3.180  1.00  0.00           C
ATOM     43  CG  HIS A   3       3.653   8.336  -2.075  1.00  0.00           C
ATOM     44  ND1 HIS A   3       2.503   9.001  -1.676  1.00  0.00           N
ATOM     45  CD2 HIS A   3       4.659   8.816  -1.276  1.00  0.00           C
ATOM     46  CE1 HIS A   3       2.845   9.838  -0.679  1.00  0.00           C
ATOM     47  NE2 HIS A   3       4.149   9.763  -0.395  1.00  0.00           N
ATOM      0  H   HIS A   3       4.991   4.949  -3.428  1.00  0.00           H   new
ATOM      0  HA  HIS A   3       2.800   6.019  -1.636  1.00  0.00           H   new
ATOM      0  HB2 HIS A   3       4.626   7.278  -3.659  1.00  0.00           H   new
ATOM      0  HB3 HIS A   3       2.928   7.602  -3.948  1.00  0.00           H   new
ATOM      0  HD2 HIS A   3       5.692   8.505  -1.324  1.00  0.00           H   new
ATOM      0  HE1 HIS A   3       2.151  10.491  -0.171  1.00  0.00           H   new
ATOM      0  HE2 HIS A   3       4.660  10.288   0.315  1.00  0.00           H   new
ATOM     55  N   CYS A   4       2.666   5.061  -4.786  1.00  0.00           N
ATOM     56  CA  CYS A   4       1.752   4.364  -5.738  1.00  0.00           C
ATOM     57  C   CYS A   4       0.487   5.196  -5.964  1.00  0.00           C
ATOM     58  O   CYS A   4       0.256   5.717  -7.037  1.00  0.00           O
ATOM     59  CB  CYS A   4       1.402   3.044  -5.052  1.00  0.00           C
ATOM     60  SG  CYS A   4       1.397   1.711  -6.274  1.00  0.00           S
ATOM      0  H   CYS A   4       3.546   5.385  -5.186  1.00  0.00           H   new
ATOM      0  HA  CYS A   4       2.212   4.211  -6.714  1.00  0.00           H   new
ATOM      0  HB2 CYS A   4       2.125   2.828  -4.266  1.00  0.00           H   new
ATOM      0  HB3 CYS A   4       0.425   3.118  -4.575  1.00  0.00           H   new
ATOM     65  N   ASP A   5      -0.334   5.326  -4.958  1.00  0.00           N
ATOM     66  CA  ASP A   5      -1.583   6.126  -5.112  1.00  0.00           C
ATOM     67  C   ASP A   5      -1.273   7.620  -4.966  1.00  0.00           C
ATOM     68  O   ASP A   5      -0.281   8.109  -5.470  1.00  0.00           O
ATOM     69  CB  ASP A   5      -2.493   5.653  -3.978  1.00  0.00           C
ATOM     70  CG  ASP A   5      -1.900   6.080  -2.636  1.00  0.00           C
ATOM     71  OD1 ASP A   5      -0.809   5.633  -2.324  1.00  0.00           O
ATOM     72  OD2 ASP A   5      -2.547   6.846  -1.941  1.00  0.00           O
ATOM      0  H   ASP A   5      -0.194   4.913  -4.036  1.00  0.00           H   new
ATOM      0  HA  ASP A   5      -2.045   5.992  -6.090  1.00  0.00           H   new
ATOM      0  HB2 ASP A   5      -3.491   6.076  -4.098  1.00  0.00           H   new
ATOM      0  HB3 ASP A   5      -2.600   4.569  -4.012  1.00  0.00           H   new
ATOM     77  N   ALA A   6      -2.115   8.350  -4.284  1.00  0.00           N
ATOM     78  CA  ALA A   6      -1.865   9.809  -4.112  1.00  0.00           C
ATOM     79  C   ALA A   6      -1.949  10.194  -2.632  1.00  0.00           C
ATOM     80  O   ALA A   6      -1.666  11.314  -2.255  1.00  0.00           O
ATOM     81  CB  ALA A   6      -2.977  10.494  -4.907  1.00  0.00           C
ATOM      0  H   ALA A   6      -2.963   7.999  -3.840  1.00  0.00           H   new
ATOM      0  HA  ALA A   6      -0.873  10.101  -4.458  1.00  0.00           H   new
ATOM      0  HB1 ALA A   6      -2.865  11.576  -4.832  1.00  0.00           H   new
ATOM      0  HB2 ALA A   6      -2.914  10.195  -5.953  1.00  0.00           H   new
ATOM      0  HB3 ALA A   6      -3.946  10.201  -4.504  1.00  0.00           H   new
ATOM     87  N   ALA A   7      -2.334   9.274  -1.790  1.00  0.00           N
ATOM     88  CA  ALA A   7      -2.434   9.588  -0.336  1.00  0.00           C
ATOM     89  C   ALA A   7      -1.858   8.438   0.494  1.00  0.00           C
ATOM     90  O   ALA A   7      -0.859   8.585   1.168  1.00  0.00           O
ATOM     91  CB  ALA A   7      -3.932   9.743  -0.066  1.00  0.00           C
ATOM      0  H   ALA A   7      -2.584   8.319  -2.046  1.00  0.00           H   new
ATOM      0  HA  ALA A   7      -1.876  10.485  -0.069  1.00  0.00           H   new
ATOM      0  HB1 ALA A   7      -4.090   9.976   0.987  1.00  0.00           H   new
ATOM      0  HB2 ALA A   7      -4.331  10.551  -0.680  1.00  0.00           H   new
ATOM      0  HB3 ALA A   7      -4.444   8.813  -0.312  1.00  0.00           H   new
ATOM     97  N   THR A   8      -2.482   7.293   0.450  1.00  0.00           N
ATOM     98  CA  THR A   8      -1.970   6.134   1.237  1.00  0.00           C
ATOM     99  C   THR A   8      -0.466   5.957   1.004  1.00  0.00           C
ATOM    100  O   THR A   8      -0.032   5.601  -0.073  1.00  0.00           O
ATOM    101  CB  THR A   8      -2.739   4.925   0.704  1.00  0.00           C
ATOM    102  OG1 THR A   8      -4.068   4.951   1.209  1.00  0.00           O
ATOM    103  CG2 THR A   8      -2.045   3.639   1.155  1.00  0.00           C
ATOM      0  H   THR A   8      -3.324   7.109  -0.096  1.00  0.00           H   new
ATOM      0  HA  THR A   8      -2.111   6.269   2.309  1.00  0.00           H   new
ATOM      0  HB  THR A   8      -2.763   4.960  -0.385  1.00  0.00           H   new
ATOM      0  HG1 THR A   8      -4.290   4.076   1.591  1.00  0.00           H   new
ATOM      0 HG21 THR A   8      -2.593   2.777   0.775  1.00  0.00           H   new
ATOM      0 HG22 THR A   8      -1.026   3.620   0.768  1.00  0.00           H   new
ATOM      0 HG23 THR A   8      -2.020   3.602   2.244  1.00  0.00           H   new
ATOM    111  N   ILE A   9       0.332   6.200   2.008  1.00  0.00           N
ATOM    112  CA  ILE A   9       1.806   6.041   1.844  1.00  0.00           C
ATOM    113  C   ILE A   9       2.227   4.619   2.219  1.00  0.00           C
ATOM    114  O   ILE A   9       1.597   3.969   3.029  1.00  0.00           O
ATOM    115  CB  ILE A   9       2.424   7.055   2.808  1.00  0.00           C
ATOM    116  CG1 ILE A   9       1.667   8.382   2.711  1.00  0.00           C
ATOM    117  CG2 ILE A   9       3.893   7.277   2.442  1.00  0.00           C
ATOM    118  CD1 ILE A   9       2.411   9.455   3.510  1.00  0.00           C
ATOM      0  H   ILE A   9       0.028   6.501   2.934  1.00  0.00           H   new
ATOM      0  HA  ILE A   9       2.128   6.208   0.816  1.00  0.00           H   new
ATOM      0  HB  ILE A   9       2.357   6.674   3.827  1.00  0.00           H   new
ATOM      0 HG12 ILE A   9       1.578   8.687   1.668  1.00  0.00           H   new
ATOM      0 HG13 ILE A   9       0.654   8.264   3.096  1.00  0.00           H   new
ATOM      0 HG21 ILE A   9       4.334   8.000   3.129  1.00  0.00           H   new
ATOM      0 HG22 ILE A   9       4.432   6.333   2.513  1.00  0.00           H   new
ATOM      0 HG23 ILE A   9       3.961   7.657   1.423  1.00  0.00           H   new
ATOM      0 HD11 ILE A   9       1.872  10.400   3.441  1.00  0.00           H   new
ATOM      0 HD12 ILE A   9       2.477   9.151   4.555  1.00  0.00           H   new
ATOM      0 HD13 ILE A   9       3.415   9.580   3.105  1.00  0.00           H   new
ATOM    130  N   CYS A  10       3.288   4.129   1.638  1.00  0.00           N
ATOM    131  CA  CYS A  10       3.744   2.747   1.966  1.00  0.00           C
ATOM    132  C   CYS A  10       5.220   2.757   2.371  1.00  0.00           C
ATOM    133  O   CYS A  10       6.022   3.452   1.782  1.00  0.00           O
ATOM    134  CB  CYS A  10       3.551   1.946   0.677  1.00  0.00           C
ATOM    135  SG  CYS A  10       1.809   1.480   0.501  1.00  0.00           S
ATOM      0  H   CYS A  10       3.858   4.624   0.952  1.00  0.00           H   new
ATOM      0  HA  CYS A  10       3.187   2.319   2.800  1.00  0.00           H   new
ATOM      0  HB2 CYS A  10       3.867   2.539  -0.181  1.00  0.00           H   new
ATOM      0  HB3 CYS A  10       4.176   1.053   0.695  1.00  0.00           H   new
ATOM    140  N   PRO A  11       5.526   1.976   3.370  1.00  0.00           N
ATOM    141  CA  PRO A  11       6.916   1.885   3.861  1.00  0.00           C
ATOM    142  C   PRO A  11       7.771   1.061   2.892  1.00  0.00           C
ATOM    143  O   PRO A  11       7.415   0.868   1.746  1.00  0.00           O
ATOM    144  CB  PRO A  11       6.781   1.171   5.200  1.00  0.00           C
ATOM    145  CG  PRO A  11       5.505   0.388   5.099  1.00  0.00           C
ATOM    146  CD  PRO A  11       4.609   1.118   4.124  1.00  0.00           C
ATOM      0  HA  PRO A  11       7.401   2.857   3.949  1.00  0.00           H   new
ATOM      0  HB2 PRO A  11       7.632   0.516   5.385  1.00  0.00           H   new
ATOM      0  HB3 PRO A  11       6.742   1.883   6.024  1.00  0.00           H   new
ATOM      0  HG2 PRO A  11       5.703  -0.627   4.754  1.00  0.00           H   new
ATOM      0  HG3 PRO A  11       5.026   0.306   6.075  1.00  0.00           H   new
ATOM      0  HD2 PRO A  11       4.083   0.423   3.469  1.00  0.00           H   new
ATOM      0  HD3 PRO A  11       3.850   1.704   4.642  1.00  0.00           H   new
ATOM    154  N   ASP A  12       8.893   0.573   3.344  1.00  0.00           N
ATOM    155  CA  ASP A  12       9.767  -0.240   2.447  1.00  0.00           C
ATOM    156  C   ASP A  12       9.486  -1.734   2.642  1.00  0.00           C
ATOM    157  O   ASP A  12       9.100  -2.169   3.709  1.00  0.00           O
ATOM    158  CB  ASP A  12      11.195   0.095   2.877  1.00  0.00           C
ATOM    159  CG  ASP A  12      11.430   1.601   2.747  1.00  0.00           C
ATOM    160  OD1 ASP A  12      10.525   2.285   2.297  1.00  0.00           O
ATOM    161  OD2 ASP A  12      12.509   2.045   3.100  1.00  0.00           O
ATOM      0  H   ASP A  12       9.243   0.701   4.293  1.00  0.00           H   new
ATOM      0  HA  ASP A  12       9.594  -0.020   1.394  1.00  0.00           H   new
ATOM      0  HB2 ASP A  12      11.359  -0.221   3.907  1.00  0.00           H   new
ATOM      0  HB3 ASP A  12      11.909  -0.449   2.259  1.00  0.00           H   new
ATOM    166  N   GLY A  13       9.677  -2.522   1.618  1.00  0.00           N
ATOM    167  CA  GLY A  13       9.424  -3.985   1.744  1.00  0.00           C
ATOM    168  C   GLY A  13       7.930  -4.267   1.571  1.00  0.00           C
ATOM    169  O   GLY A  13       7.455  -5.347   1.860  1.00  0.00           O
ATOM      0  H   GLY A  13       9.997  -2.215   0.700  1.00  0.00           H   new
ATOM      0  HA2 GLY A  13       9.996  -4.529   0.992  1.00  0.00           H   new
ATOM      0  HA3 GLY A  13       9.760  -4.339   2.718  1.00  0.00           H   new
ATOM    173  N   THR A  14       7.184  -3.304   1.100  1.00  0.00           N
ATOM    174  CA  THR A  14       5.720  -3.521   0.910  1.00  0.00           C
ATOM    175  C   THR A  14       5.331  -3.292  -0.552  1.00  0.00           C
ATOM    176  O   THR A  14       6.107  -2.792  -1.342  1.00  0.00           O
ATOM    177  CB  THR A  14       5.045  -2.482   1.807  1.00  0.00           C
ATOM    178  OG1 THR A  14       5.819  -1.290   1.814  1.00  0.00           O
ATOM    179  CG2 THR A  14       4.932  -3.028   3.231  1.00  0.00           C
ATOM      0  H   THR A  14       7.524  -2.378   0.839  1.00  0.00           H   new
ATOM      0  HA  THR A  14       5.422  -4.539   1.162  1.00  0.00           H   new
ATOM      0  HB  THR A  14       4.047  -2.266   1.425  1.00  0.00           H   new
ATOM      0  HG1 THR A  14       5.223  -0.513   1.787  1.00  0.00           H   new
ATOM      0 HG21 THR A  14       4.451  -2.286   3.868  1.00  0.00           H   new
ATOM      0 HG22 THR A  14       4.337  -3.941   3.224  1.00  0.00           H   new
ATOM      0 HG23 THR A  14       5.928  -3.247   3.617  1.00  0.00           H   new
ATOM    187  N   THR A  15       4.129  -3.649  -0.916  1.00  0.00           N
ATOM    188  CA  THR A  15       3.685  -3.447  -2.325  1.00  0.00           C
ATOM    189  C   THR A  15       2.306  -2.782  -2.357  1.00  0.00           C
ATOM    190  O   THR A  15       1.543  -2.864  -1.413  1.00  0.00           O
ATOM    191  CB  THR A  15       3.615  -4.855  -2.922  1.00  0.00           C
ATOM    192  OG1 THR A  15       3.326  -4.766  -4.309  1.00  0.00           O
ATOM    193  CG2 THR A  15       2.515  -5.654  -2.222  1.00  0.00           C
ATOM      0  H   THR A  15       3.436  -4.072  -0.299  1.00  0.00           H   new
ATOM      0  HA  THR A  15       4.362  -2.799  -2.882  1.00  0.00           H   new
ATOM      0  HB  THR A  15       4.572  -5.357  -2.781  1.00  0.00           H   new
ATOM      0  HG1 THR A  15       3.283  -5.667  -4.693  1.00  0.00           H   new
ATOM      0 HG21 THR A  15       2.466  -6.656  -2.648  1.00  0.00           H   new
ATOM      0 HG22 THR A  15       2.737  -5.723  -1.157  1.00  0.00           H   new
ATOM      0 HG23 THR A  15       1.557  -5.153  -2.361  1.00  0.00           H   new
ATOM    201  N   CYS A  16       1.977  -2.132  -3.440  1.00  0.00           N
ATOM    202  CA  CYS A  16       0.641  -1.471  -3.539  1.00  0.00           C
ATOM    203  C   CYS A  16      -0.466  -2.507  -3.350  1.00  0.00           C
ATOM    204  O   CYS A  16      -0.482  -3.533  -4.001  1.00  0.00           O
ATOM    205  CB  CYS A  16       0.592  -0.889  -4.952  1.00  0.00           C
ATOM    206  SG  CYS A  16       2.074   0.108  -5.250  1.00  0.00           S
ATOM      0  H   CYS A  16       2.574  -2.029  -4.261  1.00  0.00           H   new
ATOM      0  HA  CYS A  16       0.498  -0.704  -2.778  1.00  0.00           H   new
ATOM      0  HB2 CYS A  16       0.529  -1.693  -5.685  1.00  0.00           H   new
ATOM      0  HB3 CYS A  16      -0.301  -0.276  -5.073  1.00  0.00           H   new
ATOM    211  N   SER A  17      -1.383  -2.259  -2.459  1.00  0.00           N
ATOM    212  CA  SER A  17      -2.472  -3.248  -2.229  1.00  0.00           C
ATOM    213  C   SER A  17      -3.804  -2.537  -1.979  1.00  0.00           C
ATOM    214  O   SER A  17      -3.927  -1.724  -1.085  1.00  0.00           O
ATOM    215  CB  SER A  17      -2.036  -4.017  -0.987  1.00  0.00           C
ATOM    216  OG  SER A  17      -2.567  -5.335  -1.037  1.00  0.00           O
ATOM      0  H   SER A  17      -1.426  -1.419  -1.882  1.00  0.00           H   new
ATOM      0  HA  SER A  17      -2.626  -3.900  -3.089  1.00  0.00           H   new
ATOM      0  HB2 SER A  17      -0.948  -4.053  -0.932  1.00  0.00           H   new
ATOM      0  HB3 SER A  17      -2.384  -3.507  -0.089  1.00  0.00           H   new
ATOM      0  HG  SER A  17      -2.635  -5.695  -0.128  1.00  0.00           H   new
ATOM    222  N   LEU A  18      -4.806  -2.852  -2.754  1.00  0.00           N
ATOM    223  CA  LEU A  18      -6.136  -2.209  -2.552  1.00  0.00           C
ATOM    224  C   LEU A  18      -7.128  -3.224  -1.982  1.00  0.00           C
ATOM    225  O   LEU A  18      -7.313  -4.297  -2.522  1.00  0.00           O
ATOM    226  CB  LEU A  18      -6.581  -1.762  -3.947  1.00  0.00           C
ATOM    227  CG  LEU A  18      -7.348  -0.438  -3.848  1.00  0.00           C
ATOM    228  CD1 LEU A  18      -8.195  -0.249  -5.106  1.00  0.00           C
ATOM    229  CD2 LEU A  18      -8.265  -0.460  -2.620  1.00  0.00           C
ATOM      0  H   LEU A  18      -4.761  -3.526  -3.518  1.00  0.00           H   new
ATOM      0  HA  LEU A  18      -6.087  -1.375  -1.852  1.00  0.00           H   new
ATOM      0  HB2 LEU A  18      -5.713  -1.642  -4.595  1.00  0.00           H   new
ATOM      0  HB3 LEU A  18      -7.213  -2.526  -4.399  1.00  0.00           H   new
ATOM      0  HG  LEU A  18      -6.638   0.383  -3.754  1.00  0.00           H   new
ATOM      0 HD11 LEU A  18      -8.742   0.692  -5.039  1.00  0.00           H   new
ATOM      0 HD12 LEU A  18      -7.546  -0.230  -5.982  1.00  0.00           H   new
ATOM      0 HD13 LEU A  18      -8.902  -1.074  -5.196  1.00  0.00           H   new
ATOM      0 HD21 LEU A  18      -8.808   0.483  -2.554  1.00  0.00           H   new
ATOM      0 HD22 LEU A  18      -8.975  -1.282  -2.711  1.00  0.00           H   new
ATOM      0 HD23 LEU A  18      -7.665  -0.597  -1.720  1.00  0.00           H   new
ATOM    241  N   SER A  19      -7.767  -2.896  -0.897  1.00  0.00           N
ATOM    242  CA  SER A  19      -8.743  -3.841  -0.297  1.00  0.00           C
ATOM    243  C   SER A  19      -9.960  -3.997  -1.210  1.00  0.00           C
ATOM    244  O   SER A  19     -10.189  -3.188  -2.087  1.00  0.00           O
ATOM    245  CB  SER A  19      -9.148  -3.195   1.024  1.00  0.00           C
ATOM    246  OG  SER A  19     -10.404  -2.547   0.868  1.00  0.00           O
ATOM      0  H   SER A  19      -7.655  -2.013  -0.399  1.00  0.00           H   new
ATOM      0  HA  SER A  19      -8.323  -4.837  -0.157  1.00  0.00           H   new
ATOM      0  HB2 SER A  19      -9.211  -3.951   1.807  1.00  0.00           H   new
ATOM      0  HB3 SER A  19      -8.391  -2.475   1.336  1.00  0.00           H   new
ATOM      0  HG  SER A  19     -11.025  -2.869   1.554  1.00  0.00           H   new
ATOM    252  N   PRO A  20     -10.706  -5.035  -0.961  1.00  0.00           N
ATOM    253  CA  PRO A  20     -11.918  -5.306  -1.761  1.00  0.00           C
ATOM    254  C   PRO A  20     -12.986  -4.255  -1.469  1.00  0.00           C
ATOM    255  O   PRO A  20     -14.000  -4.180  -2.134  1.00  0.00           O
ATOM    256  CB  PRO A  20     -12.362  -6.687  -1.290  1.00  0.00           C
ATOM    257  CG  PRO A  20     -11.770  -6.839   0.078  1.00  0.00           C
ATOM    258  CD  PRO A  20     -10.496  -6.030   0.091  1.00  0.00           C
ATOM      0  HA  PRO A  20     -11.742  -5.271  -2.836  1.00  0.00           H   new
ATOM      0  HB2 PRO A  20     -13.449  -6.763  -1.260  1.00  0.00           H   new
ATOM      0  HB3 PRO A  20     -12.006  -7.467  -1.963  1.00  0.00           H   new
ATOM      0  HG2 PRO A  20     -12.462  -6.483   0.841  1.00  0.00           H   new
ATOM      0  HG3 PRO A  20     -11.565  -7.887   0.297  1.00  0.00           H   new
ATOM      0  HD2 PRO A  20     -10.331  -5.559   1.060  1.00  0.00           H   new
ATOM      0  HD3 PRO A  20      -9.625  -6.652  -0.114  1.00  0.00           H   new
ATOM    266  N   TYR A  21     -12.757  -3.431  -0.486  1.00  0.00           N
ATOM    267  CA  TYR A  21     -13.746  -2.369  -0.155  1.00  0.00           C
ATOM    268  C   TYR A  21     -13.281  -1.030  -0.735  1.00  0.00           C
ATOM    269  O   TYR A  21     -13.942  -0.020  -0.597  1.00  0.00           O
ATOM    270  CB  TYR A  21     -13.773  -2.302   1.380  1.00  0.00           C
ATOM    271  CG  TYR A  21     -13.587  -3.685   1.966  1.00  0.00           C
ATOM    272  CD1 TYR A  21     -14.461  -4.721   1.616  1.00  0.00           C
ATOM    273  CD2 TYR A  21     -12.541  -3.926   2.866  1.00  0.00           C
ATOM    274  CE1 TYR A  21     -14.290  -5.996   2.167  1.00  0.00           C
ATOM    275  CE2 TYR A  21     -12.370  -5.201   3.417  1.00  0.00           C
ATOM    276  CZ  TYR A  21     -13.245  -6.236   3.068  1.00  0.00           C
ATOM    277  OH  TYR A  21     -13.076  -7.493   3.610  1.00  0.00           O
ATOM      0  H   TYR A  21     -11.925  -3.447   0.104  1.00  0.00           H   new
ATOM      0  HA  TYR A  21     -14.732  -2.581  -0.568  1.00  0.00           H   new
ATOM      0  HB2 TYR A  21     -12.985  -1.639   1.736  1.00  0.00           H   new
ATOM      0  HB3 TYR A  21     -14.720  -1.881   1.716  1.00  0.00           H   new
ATOM      0  HD1 TYR A  21     -15.267  -4.536   0.921  1.00  0.00           H   new
ATOM      0  HD2 TYR A  21     -11.866  -3.127   3.135  1.00  0.00           H   new
ATOM      0  HE1 TYR A  21     -14.964  -6.795   1.897  1.00  0.00           H   new
ATOM      0  HE2 TYR A  21     -11.563  -5.386   4.111  1.00  0.00           H   new
ATOM      0  HH  TYR A  21     -12.304  -7.488   4.214  1.00  0.00           H   new
ATOM    287  N   GLY A  22     -12.141  -1.014  -1.378  1.00  0.00           N
ATOM    288  CA  GLY A  22     -11.630   0.261  -1.957  1.00  0.00           C
ATOM    289  C   GLY A  22     -10.678   0.923  -0.957  1.00  0.00           C
ATOM    290  O   GLY A  22     -10.381   2.098  -1.051  1.00  0.00           O
ATOM      0  H   GLY A  22     -11.544  -1.828  -1.526  1.00  0.00           H   new
ATOM      0  HA2 GLY A  22     -11.112   0.066  -2.896  1.00  0.00           H   new
ATOM      0  HA3 GLY A  22     -12.460   0.930  -2.184  1.00  0.00           H   new
ATOM    294  N   VAL A  23     -10.200   0.175   0.000  1.00  0.00           N
ATOM    295  CA  VAL A  23      -9.269   0.759   1.008  1.00  0.00           C
ATOM    296  C   VAL A  23      -7.818   0.594   0.545  1.00  0.00           C
ATOM    297  O   VAL A  23      -7.301  -0.503   0.473  1.00  0.00           O
ATOM    298  CB  VAL A  23      -9.519  -0.047   2.283  1.00  0.00           C
ATOM    299  CG1 VAL A  23      -8.556   0.414   3.378  1.00  0.00           C
ATOM    300  CG2 VAL A  23     -10.961   0.173   2.748  1.00  0.00           C
ATOM      0  H   VAL A  23     -10.413  -0.814   0.128  1.00  0.00           H   new
ATOM      0  HA  VAL A  23      -9.435   1.826   1.158  1.00  0.00           H   new
ATOM      0  HB  VAL A  23      -9.357  -1.106   2.081  1.00  0.00           H   new
ATOM      0 HG11 VAL A  23      -8.735  -0.161   4.286  1.00  0.00           H   new
ATOM      0 HG12 VAL A  23      -7.529   0.260   3.048  1.00  0.00           H   new
ATOM      0 HG13 VAL A  23      -8.717   1.473   3.582  1.00  0.00           H   new
ATOM      0 HG21 VAL A  23     -11.142  -0.401   3.657  1.00  0.00           H   new
ATOM      0 HG22 VAL A  23     -11.121   1.232   2.950  1.00  0.00           H   new
ATOM      0 HG23 VAL A  23     -11.649  -0.156   1.969  1.00  0.00           H   new
ATOM    310  N   TRP A  24      -7.158   1.676   0.231  1.00  0.00           N
ATOM    311  CA  TRP A  24      -5.742   1.578  -0.229  1.00  0.00           C
ATOM    312  C   TRP A  24      -4.829   1.203   0.941  1.00  0.00           C
ATOM    313  O   TRP A  24      -5.017   1.652   2.055  1.00  0.00           O
ATOM    314  CB  TRP A  24      -5.396   2.974  -0.750  1.00  0.00           C
ATOM    315  CG  TRP A  24      -5.600   3.019  -2.231  1.00  0.00           C
ATOM    316  CD1 TRP A  24      -6.283   3.982  -2.892  1.00  0.00           C
ATOM    317  CD2 TRP A  24      -5.130   2.083  -3.243  1.00  0.00           C
ATOM    318  NE1 TRP A  24      -6.266   3.693  -4.245  1.00  0.00           N
ATOM    319  CE2 TRP A  24      -5.565   2.531  -4.510  1.00  0.00           C
ATOM    320  CE3 TRP A  24      -4.375   0.896  -3.182  1.00  0.00           C
ATOM    321  CZ2 TRP A  24      -5.265   1.830  -5.678  1.00  0.00           C
ATOM    322  CZ3 TRP A  24      -4.069   0.186  -4.359  1.00  0.00           C
ATOM    323  CH2 TRP A  24      -4.515   0.655  -5.604  1.00  0.00           C
ATOM      0  H   TRP A  24      -7.537   2.622   0.273  1.00  0.00           H   new
ATOM      0  HA  TRP A  24      -5.610   0.812  -0.993  1.00  0.00           H   new
ATOM      0  HB2 TRP A  24      -6.023   3.721  -0.263  1.00  0.00           H   new
ATOM      0  HB3 TRP A  24      -4.362   3.218  -0.507  1.00  0.00           H   new
ATOM      0  HD1 TRP A  24      -6.763   4.836  -2.438  1.00  0.00           H   new
ATOM      0  HE1 TRP A  24      -6.715   4.266  -4.959  1.00  0.00           H   new
ATOM      0  HE3 TRP A  24      -4.029   0.528  -2.227  1.00  0.00           H   new
ATOM      0  HZ2 TRP A  24      -5.611   2.194  -6.634  1.00  0.00           H   new
ATOM      0  HZ3 TRP A  24      -3.489  -0.723  -4.303  1.00  0.00           H   new
ATOM      0  HH2 TRP A  24      -4.278   0.107  -6.504  1.00  0.00           H   new
ATOM    334  N   TYR A  25      -3.839   0.388   0.697  1.00  0.00           N
ATOM    335  CA  TYR A  25      -2.911  -0.009   1.795  1.00  0.00           C
ATOM    336  C   TYR A  25      -1.707  -0.763   1.225  1.00  0.00           C
ATOM    337  O   TYR A  25      -1.641  -1.046   0.043  1.00  0.00           O
ATOM    338  CB  TYR A  25      -3.740  -0.916   2.710  1.00  0.00           C
ATOM    339  CG  TYR A  25      -3.883  -2.284   2.083  1.00  0.00           C
ATOM    340  CD1 TYR A  25      -4.914  -2.531   1.169  1.00  0.00           C
ATOM    341  CD2 TYR A  25      -2.987  -3.305   2.420  1.00  0.00           C
ATOM    342  CE1 TYR A  25      -5.049  -3.799   0.591  1.00  0.00           C
ATOM    343  CE2 TYR A  25      -3.123  -4.574   1.844  1.00  0.00           C
ATOM    344  CZ  TYR A  25      -4.153  -4.820   0.930  1.00  0.00           C
ATOM    345  OH  TYR A  25      -4.287  -6.071   0.362  1.00  0.00           O
ATOM      0  H   TYR A  25      -3.632  -0.020  -0.215  1.00  0.00           H   new
ATOM      0  HA  TYR A  25      -2.515   0.852   2.333  1.00  0.00           H   new
ATOM      0  HB2 TYR A  25      -3.260  -1.001   3.685  1.00  0.00           H   new
ATOM      0  HB3 TYR A  25      -4.724  -0.478   2.877  1.00  0.00           H   new
ATOM      0  HD1 TYR A  25      -5.606  -1.743   0.910  1.00  0.00           H   new
ATOM      0  HD2 TYR A  25      -2.191  -3.114   3.124  1.00  0.00           H   new
ATOM      0  HE1 TYR A  25      -5.843  -3.989  -0.116  1.00  0.00           H   new
ATOM      0  HE2 TYR A  25      -2.433  -5.363   2.105  1.00  0.00           H   new
ATOM      0  HH  TYR A  25      -4.126  -6.011  -0.603  1.00  0.00           H   new
ATOM    355  N   CYS A  26      -0.747  -1.074   2.049  1.00  0.00           N
ATOM    356  CA  CYS A  26       0.464  -1.793   1.550  1.00  0.00           C
ATOM    357  C   CYS A  26       0.443  -3.254   2.013  1.00  0.00           C
ATOM    358  O   CYS A  26       0.046  -3.558   3.120  1.00  0.00           O
ATOM    359  CB  CYS A  26       1.664  -1.053   2.171  1.00  0.00           C
ATOM    360  SG  CYS A  26       1.305   0.724   2.306  1.00  0.00           S
ATOM      0  H   CYS A  26      -0.746  -0.863   3.047  1.00  0.00           H   new
ATOM      0  HA  CYS A  26       0.511  -1.802   0.461  1.00  0.00           H   new
ATOM      0  HB2 CYS A  26       1.883  -1.463   3.157  1.00  0.00           H   new
ATOM      0  HB3 CYS A  26       2.552  -1.206   1.558  1.00  0.00           H   new
ATOM    365  N   SER A  27       0.872  -4.160   1.175  1.00  0.00           N
ATOM    366  CA  SER A  27       0.880  -5.601   1.572  1.00  0.00           C
ATOM    367  C   SER A  27       2.310  -6.149   1.546  1.00  0.00           C
ATOM    368  O   SER A  27       3.093  -5.801   0.682  1.00  0.00           O
ATOM    369  CB  SER A  27       0.018  -6.306   0.524  1.00  0.00           C
ATOM    370  OG  SER A  27       0.860  -6.957  -0.419  1.00  0.00           O
ATOM      0  H   SER A  27       1.217  -3.967   0.235  1.00  0.00           H   new
ATOM      0  HA  SER A  27       0.500  -5.753   2.582  1.00  0.00           H   new
ATOM      0  HB2 SER A  27      -0.638  -7.032   1.005  1.00  0.00           H   new
ATOM      0  HB3 SER A  27      -0.623  -5.584   0.018  1.00  0.00           H   new
ATOM      0  HG  SER A  27       0.309  -7.411  -1.091  1.00  0.00           H   new
ATOM    376  N   PRO A  28       2.602  -6.990   2.504  1.00  0.00           N
ATOM    377  CA  PRO A  28       3.948  -7.594   2.597  1.00  0.00           C
ATOM    378  C   PRO A  28       4.128  -8.672   1.525  1.00  0.00           C
ATOM    379  O   PRO A  28       3.611  -9.766   1.639  1.00  0.00           O
ATOM    380  CB  PRO A  28       3.970  -8.213   3.990  1.00  0.00           C
ATOM    381  CG  PRO A  28       2.531  -8.470   4.325  1.00  0.00           C
ATOM    382  CD  PRO A  28       1.711  -7.444   3.574  1.00  0.00           C
ATOM      0  HA  PRO A  28       4.749  -6.872   2.442  1.00  0.00           H   new
ATOM      0  HB2 PRO A  28       4.549  -9.137   4.002  1.00  0.00           H   new
ATOM      0  HB3 PRO A  28       4.429  -7.540   4.714  1.00  0.00           H   new
ATOM      0  HG2 PRO A  28       2.242  -9.481   4.036  1.00  0.00           H   new
ATOM      0  HG3 PRO A  28       2.364  -8.386   5.399  1.00  0.00           H   new
ATOM      0  HD2 PRO A  28       0.796  -7.881   3.173  1.00  0.00           H   new
ATOM      0  HD3 PRO A  28       1.413  -6.620   4.222  1.00  0.00           H   new
ATOM    390  N   PHE A  29       4.859  -8.375   0.487  1.00  0.00           N
ATOM    391  CA  PHE A  29       5.071  -9.385  -0.589  1.00  0.00           C
ATOM    392  C   PHE A  29       6.533  -9.851  -0.601  1.00  0.00           C
ATOM    393  O   PHE A  29       7.431  -9.115  -0.242  1.00  0.00           O
ATOM    394  CB  PHE A  29       4.714  -8.657  -1.895  1.00  0.00           C
ATOM    395  CG  PHE A  29       5.900  -7.847  -2.376  1.00  0.00           C
ATOM    396  CD1 PHE A  29       6.219  -6.633  -1.756  1.00  0.00           C
ATOM    397  CD2 PHE A  29       6.680  -8.316  -3.439  1.00  0.00           C
ATOM    398  CE1 PHE A  29       7.317  -5.887  -2.202  1.00  0.00           C
ATOM    399  CE2 PHE A  29       7.777  -7.571  -3.885  1.00  0.00           C
ATOM    400  CZ  PHE A  29       8.097  -6.357  -3.265  1.00  0.00           C
ATOM      0  H   PHE A  29       5.319  -7.477   0.337  1.00  0.00           H   new
ATOM      0  HA  PHE A  29       4.462 -10.278  -0.446  1.00  0.00           H   new
ATOM      0  HB2 PHE A  29       4.424  -9.380  -2.657  1.00  0.00           H   new
ATOM      0  HB3 PHE A  29       3.857  -8.003  -1.734  1.00  0.00           H   new
ATOM      0  HD1 PHE A  29       5.619  -6.272  -0.934  1.00  0.00           H   new
ATOM      0  HD2 PHE A  29       6.435  -9.254  -3.915  1.00  0.00           H   new
ATOM      0  HE1 PHE A  29       7.562  -4.949  -1.726  1.00  0.00           H   new
ATOM      0  HE2 PHE A  29       8.377  -7.932  -4.707  1.00  0.00           H   new
ATOM      0  HZ  PHE A  29       8.946  -5.783  -3.607  1.00  0.00           H   new