USER  MOD reduce.3.24.130724 H: found=0, std=0, add=332, rem=0, adj=14
USER  MOD reduce.3.24.130724 removed 326 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   8 CYS SG  :   rot -173:sc=   0.116
USER  MOD Set 1.2: A  15 TYR OH  :   rot   85:sc=   -1.04!
USER  MOD Set 1.3: A  21 CYS SG  :   rot   18:sc=    1.54
USER  MOD Set 2.1: A  16 CYS SG  :   rot  -56:sc=  -0.258
USER  MOD Set 2.2: A  34 CYS SG  :   rot -110:sc=    1.29
USER  MOD Set 2.3: A  38 TYR OH  :   rot  180:sc=       0
USER  MOD Set 2.4: A  43 CYS SG  :   rot  -88:sc=    2.09
USER  MOD Single : A   6 SER OG  :   rot  180:sc=       0
USER  MOD Single : A  10 LYS NZ  :NH3+    180:sc=       0   (180deg=0)
USER  MOD Single : A  11 GLN     :      amide:sc=       0  K(o=0,f=-0.52)
USER  MOD Single : A  12 TYR OH  :   rot  180:sc=       0
USER  MOD Single : A  13 LYS NZ  :NH3+   -174:sc=   0.155   (180deg=0.115)
USER  MOD Single : A  14 HIS     :     no HD1:sc=  -0.443  K(o=-0.44,f=-1.2)
USER  MOD Single : A  18 LYS NZ  :NH3+    178:sc=-0.000994   (180deg=-0.00383)
USER  MOD Single : A  28 GLN     :      amide:sc=       0  X(o=0,f=-0.028)
USER  MOD Single : A  29 THR OG1 :   rot -160:sc= -0.0457
USER  MOD Single : A  31 SER OG  :   rot  -84:sc=   0.341
USER  MOD Single : A  32 CYS SG  :   rot   38:sc=   0.508!
USER  MOD -----------------------------------------------------------------
ATOM     73  N   PHE A   5      -0.458  12.362  -4.084  1.00  0.00           N
ATOM     74  CA  PHE A   5      -1.303  11.814  -2.985  1.00  0.00           C
ATOM     75  C   PHE A   5      -0.489  11.711  -1.692  1.00  0.00           C
ATOM     76  O   PHE A   5       0.433  12.469  -1.468  1.00  0.00           O
ATOM     77  CB  PHE A   5      -1.725  10.425  -3.466  1.00  0.00           C
ATOM     78  CG  PHE A   5      -2.327  10.532  -4.847  1.00  0.00           C
ATOM     79  CD1 PHE A   5      -3.647  10.969  -5.003  1.00  0.00           C
ATOM     80  CD2 PHE A   5      -1.564  10.193  -5.971  1.00  0.00           C
ATOM     81  CE1 PHE A   5      -4.205  11.068  -6.283  1.00  0.00           C
ATOM     82  CE2 PHE A   5      -2.123  10.292  -7.252  1.00  0.00           C
ATOM     83  CZ  PHE A   5      -3.443  10.730  -7.408  1.00  0.00           C
ATOM      0  HA  PHE A   5      -2.162  12.449  -2.768  1.00  0.00           H   new
ATOM      0  HB2 PHE A   5      -0.864   9.757  -3.484  1.00  0.00           H   new
ATOM      0  HB3 PHE A   5      -2.449   9.993  -2.775  1.00  0.00           H   new
ATOM      0  HD1 PHE A   5      -4.235  11.230  -4.136  1.00  0.00           H   new
ATOM      0  HD2 PHE A   5      -0.545   9.855  -5.851  1.00  0.00           H   new
ATOM      0  HE1 PHE A   5      -5.224  11.405  -6.403  1.00  0.00           H   new
ATOM      0  HE2 PHE A   5      -1.535  10.030  -8.119  1.00  0.00           H   new
ATOM      0  HZ  PHE A   5      -3.874  10.807  -8.395  1.00  0.00           H   new
ATOM     93  N   SER A   6      -0.822  10.779  -0.841  1.00  0.00           N
ATOM     94  CA  SER A   6      -0.066  10.631   0.436  1.00  0.00           C
ATOM     95  C   SER A   6       0.260   9.157   0.691  1.00  0.00           C
ATOM     96  O   SER A   6      -0.618   8.316   0.732  1.00  0.00           O
ATOM     97  CB  SER A   6      -1.003  11.168   1.515  1.00  0.00           C
ATOM     98  OG  SER A   6      -1.243  12.550   1.285  1.00  0.00           O
ATOM      0  H   SER A   6      -1.584  10.114  -0.974  1.00  0.00           H   new
ATOM      0  HA  SER A   6       0.883  11.166   0.418  1.00  0.00           H   new
ATOM      0  HB2 SER A   6      -1.943  10.617   1.503  1.00  0.00           H   new
ATOM      0  HB3 SER A   6      -0.561  11.023   2.501  1.00  0.00           H   new
ATOM      0  HG  SER A   6      -1.846  12.897   1.976  1.00  0.00           H   new
ATOM    104  N   ARG A   7       1.512   8.837   0.865  1.00  0.00           N
ATOM    105  CA  ARG A   7       1.892   7.418   1.118  1.00  0.00           C
ATOM    106  C   ARG A   7       1.718   7.083   2.603  1.00  0.00           C
ATOM    107  O   ARG A   7       2.207   7.783   3.467  1.00  0.00           O
ATOM    108  CB  ARG A   7       3.363   7.322   0.714  1.00  0.00           C
ATOM    109  CG  ARG A   7       3.482   7.407  -0.809  1.00  0.00           C
ATOM    110  CD  ARG A   7       3.942   8.811  -1.208  1.00  0.00           C
ATOM    111  NE  ARG A   7       5.263   8.986  -0.544  1.00  0.00           N
ATOM    112  CZ  ARG A   7       5.767  10.180  -0.396  1.00  0.00           C
ATOM    113  NH1 ARG A   7       5.768  11.015  -1.399  1.00  0.00           N
ATOM    114  NH2 ARG A   7       6.268  10.541   0.753  1.00  0.00           N
ATOM      0  H   ARG A   7       2.289   9.497   0.843  1.00  0.00           H   new
ATOM      0  HA  ARG A   7       1.272   6.718   0.559  1.00  0.00           H   new
ATOM      0  HB2 ARG A   7       3.932   8.127   1.179  1.00  0.00           H   new
ATOM      0  HB3 ARG A   7       3.788   6.384   1.071  1.00  0.00           H   new
ATOM      0  HG2 ARG A   7       4.192   6.664  -1.171  1.00  0.00           H   new
ATOM      0  HG3 ARG A   7       2.521   7.182  -1.272  1.00  0.00           H   new
ATOM      0  HD2 ARG A   7       4.029   8.905  -2.290  1.00  0.00           H   new
ATOM      0  HD3 ARG A   7       3.231   9.568  -0.878  1.00  0.00           H   new
ATOM      0  HE  ARG A   7       5.774   8.171  -0.204  1.00  0.00           H   new
ATOM      0 HH11 ARG A   7       5.375  10.734  -2.297  1.00  0.00           H   new
ATOM      0 HH12 ARG A   7       6.162  11.949  -1.285  1.00  0.00           H   new
ATOM      0 HH21 ARG A   7       6.266   9.889   1.538  1.00  0.00           H   new
ATOM      0 HH22 ARG A   7       6.662  11.475   0.867  1.00  0.00           H   new
ATOM    128  N   CYS A   8       1.026   6.019   2.905  1.00  0.00           N
ATOM    129  CA  CYS A   8       0.821   5.643   4.334  1.00  0.00           C
ATOM    130  C   CYS A   8       2.118   5.081   4.925  1.00  0.00           C
ATOM    131  O   CYS A   8       2.783   4.273   4.308  1.00  0.00           O
ATOM    132  CB  CYS A   8      -0.266   4.567   4.308  1.00  0.00           C
ATOM    133  SG  CYS A   8      -1.704   5.143   5.242  1.00  0.00           S
ATOM      0  H   CYS A   8       0.594   5.394   2.225  1.00  0.00           H   new
ATOM      0  HA  CYS A   8       0.536   6.497   4.949  1.00  0.00           H   new
ATOM      0  HB2 CYS A   8      -0.551   4.347   3.279  1.00  0.00           H   new
ATOM      0  HB3 CYS A   8       0.114   3.640   4.738  1.00  0.00           H   new
ATOM      0  HG  CYS A   8      -2.568   4.178   5.347  1.00  0.00           H   new
ATOM    138  N   PRO A   9       2.433   5.533   6.108  1.00  0.00           N
ATOM    139  CA  PRO A   9       3.663   5.072   6.797  1.00  0.00           C
ATOM    140  C   PRO A   9       3.485   3.639   7.306  1.00  0.00           C
ATOM    141  O   PRO A   9       2.379   3.164   7.478  1.00  0.00           O
ATOM    142  CB  PRO A   9       3.808   6.048   7.961  1.00  0.00           C
ATOM    143  CG  PRO A   9       2.423   6.553   8.220  1.00  0.00           C
ATOM    144  CD  PRO A   9       1.682   6.506   6.908  1.00  0.00           C
ATOM      0  HA  PRO A   9       4.538   5.057   6.148  1.00  0.00           H   new
ATOM      0  HB2 PRO A   9       4.219   5.554   8.841  1.00  0.00           H   new
ATOM      0  HB3 PRO A   9       4.485   6.864   7.709  1.00  0.00           H   new
ATOM      0  HG2 PRO A   9       1.922   5.938   8.968  1.00  0.00           H   new
ATOM      0  HG3 PRO A   9       2.451   7.570   8.611  1.00  0.00           H   new
ATOM      0  HD2 PRO A   9       0.647   6.194   7.046  1.00  0.00           H   new
ATOM      0  HD3 PRO A   9       1.659   7.484   6.428  1.00  0.00           H   new
ATOM    152  N   LYS A  10       4.563   2.947   7.551  1.00  0.00           N
ATOM    153  CA  LYS A  10       4.453   1.546   8.050  1.00  0.00           C
ATOM    154  C   LYS A  10       3.667   1.516   9.363  1.00  0.00           C
ATOM    155  O   LYS A  10       2.972   0.565   9.661  1.00  0.00           O
ATOM    156  CB  LYS A  10       5.895   1.094   8.279  1.00  0.00           C
ATOM    157  CG  LYS A  10       6.536   1.957   9.366  1.00  0.00           C
ATOM    158  CD  LYS A  10       8.043   1.698   9.405  1.00  0.00           C
ATOM    159  CE  LYS A  10       8.426   1.115  10.767  1.00  0.00           C
ATOM    160  NZ  LYS A  10       8.879   2.286  11.571  1.00  0.00           N
ATOM      0  H   LYS A  10       5.516   3.290   7.428  1.00  0.00           H   new
ATOM      0  HA  LYS A  10       3.929   0.896   7.349  1.00  0.00           H   new
ATOM      0  HB2 LYS A  10       5.915   0.045   8.574  1.00  0.00           H   new
ATOM      0  HB3 LYS A  10       6.464   1.176   7.353  1.00  0.00           H   new
ATOM      0  HG2 LYS A  10       6.343   3.011   9.168  1.00  0.00           H   new
ATOM      0  HG3 LYS A  10       6.092   1.728  10.335  1.00  0.00           H   new
ATOM      0  HD2 LYS A  10       8.325   1.008   8.610  1.00  0.00           H   new
ATOM      0  HD3 LYS A  10       8.587   2.626   9.229  1.00  0.00           H   new
ATOM      0  HE2 LYS A  10       7.577   0.618  11.237  1.00  0.00           H   new
ATOM      0  HE3 LYS A  10       9.218   0.372  10.670  1.00  0.00           H   new
ATOM      0  HZ1 LYS A  10       9.159   1.968  12.521  1.00  0.00           H   new
ATOM      0  HZ2 LYS A  10       9.692   2.735  11.103  1.00  0.00           H   new
ATOM      0  HZ3 LYS A  10       8.103   2.973  11.651  1.00  0.00           H   new
ATOM    174  N   GLN A  11       3.773   2.551  10.152  1.00  0.00           N
ATOM    175  CA  GLN A  11       3.032   2.581  11.447  1.00  0.00           C
ATOM    176  C   GLN A  11       1.523   2.516  11.193  1.00  0.00           C
ATOM    177  O   GLN A  11       0.778   1.943  11.963  1.00  0.00           O
ATOM    178  CB  GLN A  11       3.412   3.914  12.088  1.00  0.00           C
ATOM    179  CG  GLN A  11       4.789   3.791  12.745  1.00  0.00           C
ATOM    180  CD  GLN A  11       4.619   3.553  14.246  1.00  0.00           C
ATOM    181  OE1 GLN A  11       3.729   2.839  14.663  1.00  0.00           O
ATOM    182  NE2 GLN A  11       5.441   4.126  15.081  1.00  0.00           N
ATOM      0  H   GLN A  11       4.340   3.376   9.957  1.00  0.00           H   new
ATOM      0  HA  GLN A  11       3.282   1.735  12.088  1.00  0.00           H   new
ATOM      0  HB2 GLN A  11       3.426   4.701  11.334  1.00  0.00           H   new
ATOM      0  HB3 GLN A  11       2.667   4.198  12.831  1.00  0.00           H   new
ATOM      0  HG2 GLN A  11       5.345   2.968  12.296  1.00  0.00           H   new
ATOM      0  HG3 GLN A  11       5.368   4.698  12.573  1.00  0.00           H   new
ATOM      0 HE21 GLN A  11       6.188   4.725  14.731  1.00  0.00           H   new
ATOM      0 HE22 GLN A  11       5.337   3.975  16.084  1.00  0.00           H   new
ATOM    191  N   TYR A  12       1.068   3.099  10.118  1.00  0.00           N
ATOM    192  CA  TYR A  12      -0.393   3.069   9.816  1.00  0.00           C
ATOM    193  C   TYR A  12      -0.706   1.934   8.836  1.00  0.00           C
ATOM    194  O   TYR A  12      -1.845   1.703   8.484  1.00  0.00           O
ATOM    195  CB  TYR A  12      -0.693   4.426   9.178  1.00  0.00           C
ATOM    196  CG  TYR A  12      -1.225   5.371  10.228  1.00  0.00           C
ATOM    197  CD1 TYR A  12      -2.411   5.068  10.906  1.00  0.00           C
ATOM    198  CD2 TYR A  12      -0.532   6.551  10.525  1.00  0.00           C
ATOM    199  CE1 TYR A  12      -2.905   5.944  11.880  1.00  0.00           C
ATOM    200  CE2 TYR A  12      -1.026   7.427  11.499  1.00  0.00           C
ATOM    201  CZ  TYR A  12      -2.213   7.123  12.177  1.00  0.00           C
ATOM    202  OH  TYR A  12      -2.700   7.986  13.137  1.00  0.00           O
ATOM      0  H   TYR A  12       1.643   3.594   9.436  1.00  0.00           H   new
ATOM      0  HA  TYR A  12      -0.996   2.895  10.707  1.00  0.00           H   new
ATOM      0  HB2 TYR A  12       0.212   4.836   8.729  1.00  0.00           H   new
ATOM      0  HB3 TYR A  12      -1.422   4.309   8.376  1.00  0.00           H   new
ATOM      0  HD1 TYR A  12      -2.946   4.158  10.678  1.00  0.00           H   new
ATOM      0  HD2 TYR A  12       0.384   6.785  10.003  1.00  0.00           H   new
ATOM      0  HE1 TYR A  12      -3.821   5.709  12.402  1.00  0.00           H   new
ATOM      0  HE2 TYR A  12      -0.492   8.337  11.727  1.00  0.00           H   new
ATOM      0  HH  TYR A  12      -2.099   8.755  13.221  1.00  0.00           H   new
ATOM    212  N   LYS A  13       0.298   1.228   8.392  1.00  0.00           N
ATOM    213  CA  LYS A  13       0.058   0.110   7.433  1.00  0.00           C
ATOM    214  C   LYS A  13      -0.181  -1.200   8.189  1.00  0.00           C
ATOM    215  O   LYS A  13       0.483  -2.192   7.960  1.00  0.00           O
ATOM    216  CB  LYS A  13       1.339   0.019   6.602  1.00  0.00           C
ATOM    217  CG  LYS A  13       1.012   0.259   5.127  1.00  0.00           C
ATOM    218  CD  LYS A  13       1.742   1.513   4.639  1.00  0.00           C
ATOM    219  CE  LYS A  13       2.863   1.111   3.676  1.00  0.00           C
ATOM    220  NZ  LYS A  13       4.121   1.520   4.358  1.00  0.00           N
ATOM      0  H   LYS A  13       1.273   1.376   8.651  1.00  0.00           H   new
ATOM      0  HA  LYS A  13      -0.822   0.283   6.813  1.00  0.00           H   new
ATOM      0  HB2 LYS A  13       2.063   0.756   6.949  1.00  0.00           H   new
ATOM      0  HB3 LYS A  13       1.798  -0.962   6.728  1.00  0.00           H   new
ATOM      0  HG2 LYS A  13       1.312  -0.604   4.532  1.00  0.00           H   new
ATOM      0  HG3 LYS A  13      -0.064   0.378   4.997  1.00  0.00           H   new
ATOM      0  HD2 LYS A  13       1.042   2.183   4.139  1.00  0.00           H   new
ATOM      0  HD3 LYS A  13       2.155   2.059   5.487  1.00  0.00           H   new
ATOM      0  HE2 LYS A  13       2.850   0.039   3.481  1.00  0.00           H   new
ATOM      0  HE3 LYS A  13       2.755   1.611   2.714  1.00  0.00           H   new
ATOM      0  HZ1 LYS A  13       4.927   1.371   3.718  1.00  0.00           H   new
ATOM      0  HZ2 LYS A  13       4.065   2.526   4.616  1.00  0.00           H   new
ATOM      0  HZ3 LYS A  13       4.251   0.949   5.218  1.00  0.00           H   new
ATOM    234  N   HIS A  14      -1.136  -1.222   9.078  1.00  0.00           N
ATOM    235  CA  HIS A  14      -1.406  -2.476   9.837  1.00  0.00           C
ATOM    236  C   HIS A  14      -2.361  -3.354   9.037  1.00  0.00           C
ATOM    237  O   HIS A  14      -2.482  -4.539   9.272  1.00  0.00           O
ATOM    238  CB  HIS A  14      -2.060  -2.020  11.141  1.00  0.00           C
ATOM    239  CG  HIS A  14      -1.015  -1.427  12.046  1.00  0.00           C
ATOM    240  ND1 HIS A  14      -1.304  -1.012  13.335  1.00  0.00           N
ATOM    241  CD2 HIS A  14       0.322  -1.173  11.861  1.00  0.00           C
ATOM    242  CE1 HIS A  14      -0.166  -0.534  13.873  1.00  0.00           C
ATOM    243  NE2 HIS A  14       0.856  -0.609  13.016  1.00  0.00           N
ATOM      0  H   HIS A  14      -1.737  -0.432   9.311  1.00  0.00           H   new
ATOM      0  HA  HIS A  14      -0.504  -3.058  10.024  1.00  0.00           H   new
ATOM      0  HB2 HIS A  14      -2.836  -1.284  10.933  1.00  0.00           H   new
ATOM      0  HB3 HIS A  14      -2.545  -2.864  11.632  1.00  0.00           H   new
ATOM      0  HD2 HIS A  14       0.875  -1.380  10.957  1.00  0.00           H   new
ATOM      0  HE1 HIS A  14      -0.089  -0.138  14.875  1.00  0.00           H   new
ATOM      0  HE2 HIS A  14       1.820  -0.316  13.174  1.00  0.00           H   new
ATOM    251  N   TYR A  15      -3.017  -2.784   8.069  1.00  0.00           N
ATOM    252  CA  TYR A  15      -3.941  -3.586   7.224  1.00  0.00           C
ATOM    253  C   TYR A  15      -3.167  -4.148   6.029  1.00  0.00           C
ATOM    254  O   TYR A  15      -3.721  -4.802   5.168  1.00  0.00           O
ATOM    255  CB  TYR A  15      -5.027  -2.612   6.760  1.00  0.00           C
ATOM    256  CG  TYR A  15      -4.386  -1.367   6.196  1.00  0.00           C
ATOM    257  CD1 TYR A  15      -3.627  -1.440   5.023  1.00  0.00           C
ATOM    258  CD2 TYR A  15      -4.549  -0.139   6.849  1.00  0.00           C
ATOM    259  CE1 TYR A  15      -3.031  -0.286   4.501  1.00  0.00           C
ATOM    260  CE2 TYR A  15      -3.952   1.015   6.329  1.00  0.00           C
ATOM    261  CZ  TYR A  15      -3.193   0.941   5.154  1.00  0.00           C
ATOM    262  OH  TYR A  15      -2.605   2.079   4.642  1.00  0.00           O
ATOM      0  H   TYR A  15      -2.953  -1.796   7.826  1.00  0.00           H   new
ATOM      0  HA  TYR A  15      -4.376  -4.429   7.761  1.00  0.00           H   new
ATOM      0  HB2 TYR A  15      -5.654  -3.084   6.004  1.00  0.00           H   new
ATOM      0  HB3 TYR A  15      -5.677  -2.352   7.596  1.00  0.00           H   new
ATOM      0  HD1 TYR A  15      -3.501  -2.387   4.520  1.00  0.00           H   new
ATOM      0  HD2 TYR A  15      -5.136  -0.082   7.754  1.00  0.00           H   new
ATOM      0  HE1 TYR A  15      -2.446  -0.343   3.595  1.00  0.00           H   new
ATOM      0  HE2 TYR A  15      -4.076   1.962   6.833  1.00  0.00           H   new
ATOM      0  HH  TYR A  15      -3.192   2.473   3.963  1.00  0.00           H   new
ATOM    272  N   CYS A  16      -1.881  -3.898   5.970  1.00  0.00           N
ATOM    273  CA  CYS A  16      -1.071  -4.419   4.832  1.00  0.00           C
ATOM    274  C   CYS A  16       0.397  -4.544   5.248  1.00  0.00           C
ATOM    275  O   CYS A  16       1.073  -3.560   5.475  1.00  0.00           O
ATOM    276  CB  CYS A  16      -1.230  -3.379   3.723  1.00  0.00           C
ATOM    277  SG  CYS A  16      -2.608  -3.849   2.648  1.00  0.00           S
ATOM      0  H   CYS A  16      -1.361  -3.357   6.661  1.00  0.00           H   new
ATOM      0  HA  CYS A  16      -1.396  -5.408   4.509  1.00  0.00           H   new
ATOM      0  HB2 CYS A  16      -1.412  -2.395   4.156  1.00  0.00           H   new
ATOM      0  HB3 CYS A  16      -0.310  -3.307   3.143  1.00  0.00           H   new
ATOM      0  HG  CYS A  16      -2.411  -5.049   2.189  1.00  0.00           H   new
ATOM    282  N   ILE A  17       0.895  -5.745   5.354  1.00  0.00           N
ATOM    283  CA  ILE A  17       2.318  -5.928   5.762  1.00  0.00           C
ATOM    284  C   ILE A  17       3.253  -5.655   4.579  1.00  0.00           C
ATOM    285  O   ILE A  17       3.915  -4.638   4.523  1.00  0.00           O
ATOM    286  CB  ILE A  17       2.416  -7.388   6.204  1.00  0.00           C
ATOM    287  CG1 ILE A  17       1.360  -7.663   7.278  1.00  0.00           C
ATOM    288  CG2 ILE A  17       3.807  -7.658   6.778  1.00  0.00           C
ATOM    289  CD1 ILE A  17       1.763  -6.970   8.581  1.00  0.00           C
ATOM      0  H   ILE A  17       0.380  -6.607   5.176  1.00  0.00           H   new
ATOM      0  HA  ILE A  17       2.612  -5.241   6.556  1.00  0.00           H   new
ATOM      0  HB  ILE A  17       2.246  -8.040   5.347  1.00  0.00           H   new
ATOM      0 HG12 ILE A  17       0.387  -7.300   6.947  1.00  0.00           H   new
ATOM      0 HG13 ILE A  17       1.262  -8.736   7.440  1.00  0.00           H   new
ATOM      0 HG21 ILE A  17       3.875  -8.699   7.093  1.00  0.00           H   new
ATOM      0 HG22 ILE A  17       4.560  -7.459   6.015  1.00  0.00           H   new
ATOM      0 HG23 ILE A  17       3.979  -7.008   7.636  1.00  0.00           H   new
ATOM      0 HD11 ILE A  17       1.011  -7.166   9.345  1.00  0.00           H   new
ATOM      0 HD12 ILE A  17       2.727  -7.354   8.914  1.00  0.00           H   new
ATOM      0 HD13 ILE A  17       1.838  -5.896   8.413  1.00  0.00           H   new
ATOM    301  N   LYS A  18       3.315  -6.553   3.634  1.00  0.00           N
ATOM    302  CA  LYS A  18       4.213  -6.338   2.460  1.00  0.00           C
ATOM    303  C   LYS A  18       3.466  -5.600   1.346  1.00  0.00           C
ATOM    304  O   LYS A  18       3.363  -6.077   0.234  1.00  0.00           O
ATOM    305  CB  LYS A  18       4.612  -7.739   1.998  1.00  0.00           C
ATOM    306  CG  LYS A  18       3.380  -8.472   1.459  1.00  0.00           C
ATOM    307  CD  LYS A  18       3.634  -9.980   1.477  1.00  0.00           C
ATOM    308  CE  LYS A  18       3.978 -10.424   2.900  1.00  0.00           C
ATOM    309  NZ  LYS A  18       5.373 -10.944   2.817  1.00  0.00           N
ATOM      0  H   LYS A  18       2.785  -7.424   3.622  1.00  0.00           H   new
ATOM      0  HA  LYS A  18       5.082  -5.731   2.716  1.00  0.00           H   new
ATOM      0  HB2 LYS A  18       5.377  -7.674   1.224  1.00  0.00           H   new
ATOM      0  HB3 LYS A  18       5.046  -8.297   2.828  1.00  0.00           H   new
ATOM      0  HG2 LYS A  18       2.507  -8.232   2.066  1.00  0.00           H   new
ATOM      0  HG3 LYS A  18       3.163  -8.141   0.443  1.00  0.00           H   new
ATOM      0  HD2 LYS A  18       2.751 -10.512   1.122  1.00  0.00           H   new
ATOM      0  HD3 LYS A  18       4.451 -10.230   0.800  1.00  0.00           H   new
ATOM      0  HE2 LYS A  18       3.908  -9.592   3.601  1.00  0.00           H   new
ATOM      0  HE3 LYS A  18       3.290 -11.194   3.250  1.00  0.00           H   new
ATOM      0  HZ1 LYS A  18       5.691 -11.236   3.763  1.00  0.00           H   new
ATOM      0  HZ2 LYS A  18       5.401 -11.761   2.174  1.00  0.00           H   new
ATOM      0  HZ3 LYS A  18       6.001 -10.198   2.456  1.00  0.00           H   new
ATOM    323  N   GLY A  19       2.946  -4.440   1.634  1.00  0.00           N
ATOM    324  CA  GLY A  19       2.209  -3.677   0.588  1.00  0.00           C
ATOM    325  C   GLY A  19       2.146  -2.201   0.977  1.00  0.00           C
ATOM    326  O   GLY A  19       2.231  -1.849   2.138  1.00  0.00           O
ATOM      0  H   GLY A  19       2.999  -3.988   2.547  1.00  0.00           H   new
ATOM      0  HA2 GLY A  19       2.706  -3.788  -0.376  1.00  0.00           H   new
ATOM      0  HA3 GLY A  19       1.201  -4.077   0.475  1.00  0.00           H   new
ATOM    330  N   ARG A  20       1.991  -1.333   0.017  1.00  0.00           N
ATOM    331  CA  ARG A  20       1.913   0.122   0.329  1.00  0.00           C
ATOM    332  C   ARG A  20       0.502   0.639   0.041  1.00  0.00           C
ATOM    333  O   ARG A  20      -0.121   0.255  -0.928  1.00  0.00           O
ATOM    334  CB  ARG A  20       2.929   0.785  -0.602  1.00  0.00           C
ATOM    335  CG  ARG A  20       4.228   1.046   0.163  1.00  0.00           C
ATOM    336  CD  ARG A  20       5.424   0.730  -0.738  1.00  0.00           C
ATOM    337  NE  ARG A  20       5.470   1.846  -1.722  1.00  0.00           N
ATOM    338  CZ  ARG A  20       6.582   2.123  -2.346  1.00  0.00           C
ATOM    339  NH1 ARG A  20       7.234   1.177  -2.964  1.00  0.00           N
ATOM    340  NH2 ARG A  20       7.041   3.343  -2.349  1.00  0.00           N
ATOM      0  H   ARG A  20       1.915  -1.568  -0.973  1.00  0.00           H   new
ATOM      0  HA  ARG A  20       2.127   0.335   1.376  1.00  0.00           H   new
ATOM      0  HB2 ARG A  20       3.123   0.143  -1.461  1.00  0.00           H   new
ATOM      0  HB3 ARG A  20       2.527   1.722  -0.988  1.00  0.00           H   new
ATOM      0  HG2 ARG A  20       4.269   2.086   0.488  1.00  0.00           H   new
ATOM      0  HG3 ARG A  20       4.263   0.430   1.061  1.00  0.00           H   new
ATOM      0  HD2 ARG A  20       6.348   0.673  -0.162  1.00  0.00           H   new
ATOM      0  HD3 ARG A  20       5.299  -0.231  -1.237  1.00  0.00           H   new
ATOM      0  HE  ARG A  20       4.631   2.395  -1.909  1.00  0.00           H   new
ATOM      0 HH11 ARG A  20       6.874   0.223  -2.959  1.00  0.00           H   new
ATOM      0 HH12 ARG A  20       8.103   1.392  -3.452  1.00  0.00           H   new
ATOM      0 HH21 ARG A  20       6.531   4.081  -1.864  1.00  0.00           H   new
ATOM      0 HH22 ARG A  20       7.910   3.560  -2.837  1.00  0.00           H   new
ATOM    354  N   CYS A  21      -0.010   1.500   0.875  1.00  0.00           N
ATOM    355  CA  CYS A  21      -1.385   2.028   0.643  1.00  0.00           C
ATOM    356  C   CYS A  21      -1.342   3.533   0.371  1.00  0.00           C
ATOM    357  O   CYS A  21      -0.847   4.306   1.169  1.00  0.00           O
ATOM    358  CB  CYS A  21      -2.144   1.740   1.936  1.00  0.00           C
ATOM    359  SG  CYS A  21      -3.760   2.553   1.881  1.00  0.00           S
ATOM      0  H   CYS A  21       0.461   1.861   1.705  1.00  0.00           H   new
ATOM      0  HA  CYS A  21      -1.860   1.566  -0.222  1.00  0.00           H   new
ATOM      0  HB2 CYS A  21      -2.270   0.665   2.064  1.00  0.00           H   new
ATOM      0  HB3 CYS A  21      -1.574   2.099   2.793  1.00  0.00           H   new
ATOM      0  HG  CYS A  21      -4.052   2.854   0.651  1.00  0.00           H   new
ATOM    364  N   ARG A  22      -1.865   3.954  -0.746  1.00  0.00           N
ATOM    365  CA  ARG A  22      -1.865   5.408  -1.072  1.00  0.00           C
ATOM    366  C   ARG A  22      -3.199   6.033  -0.658  1.00  0.00           C
ATOM    367  O   ARG A  22      -4.224   5.794  -1.266  1.00  0.00           O
ATOM    368  CB  ARG A  22      -1.686   5.475  -2.588  1.00  0.00           C
ATOM    369  CG  ARG A  22      -1.142   6.850  -2.977  1.00  0.00           C
ATOM    370  CD  ARG A  22       0.380   6.776  -3.123  1.00  0.00           C
ATOM    371  NE  ARG A  22       0.660   7.289  -4.492  1.00  0.00           N
ATOM    372  CZ  ARG A  22       0.719   6.462  -5.500  1.00  0.00           C
ATOM    373  NH1 ARG A  22      -0.379   6.047  -6.070  1.00  0.00           N
ATOM    374  NH2 ARG A  22       1.876   6.052  -5.940  1.00  0.00           N
ATOM      0  H   ARG A  22      -2.294   3.353  -1.450  1.00  0.00           H   new
ATOM      0  HA  ARG A  22      -1.079   5.953  -0.549  1.00  0.00           H   new
ATOM      0  HB2 ARG A  22      -1.001   4.694  -2.919  1.00  0.00           H   new
ATOM      0  HB3 ARG A  22      -2.639   5.295  -3.086  1.00  0.00           H   new
ATOM      0  HG2 ARG A  22      -1.592   7.179  -3.914  1.00  0.00           H   new
ATOM      0  HG3 ARG A  22      -1.410   7.586  -2.219  1.00  0.00           H   new
ATOM      0  HD2 ARG A  22       0.879   7.380  -2.365  1.00  0.00           H   new
ATOM      0  HD3 ARG A  22       0.739   5.754  -3.003  1.00  0.00           H   new
ATOM      0  HE  ARG A  22       0.806   8.287  -4.642  1.00  0.00           H   new
ATOM      0 HH11 ARG A  22      -1.284   6.369  -5.728  1.00  0.00           H   new
ATOM      0 HH12 ARG A  22      -0.332   5.401  -6.858  1.00  0.00           H   new
ATOM      0 HH21 ARG A  22       2.735   6.378  -5.496  1.00  0.00           H   new
ATOM      0 HH22 ARG A  22       1.922   5.406  -6.728  1.00  0.00           H   new
ATOM    388  N   PHE A  23      -3.198   6.825   0.379  1.00  0.00           N
ATOM    389  CA  PHE A  23      -4.469   7.457   0.837  1.00  0.00           C
ATOM    390  C   PHE A  23      -4.665   8.819   0.166  1.00  0.00           C
ATOM    391  O   PHE A  23      -3.935   9.757   0.417  1.00  0.00           O
ATOM    392  CB  PHE A  23      -4.302   7.626   2.347  1.00  0.00           C
ATOM    393  CG  PHE A  23      -5.661   7.687   3.001  1.00  0.00           C
ATOM    394  CD1 PHE A  23      -6.589   8.653   2.595  1.00  0.00           C
ATOM    395  CD2 PHE A  23      -5.992   6.779   4.013  1.00  0.00           C
ATOM    396  CE1 PHE A  23      -7.850   8.710   3.201  1.00  0.00           C
ATOM    397  CE2 PHE A  23      -7.253   6.836   4.619  1.00  0.00           C
ATOM    398  CZ  PHE A  23      -8.182   7.801   4.214  1.00  0.00           C
ATOM      0  H   PHE A  23      -2.373   7.062   0.929  1.00  0.00           H   new
ATOM      0  HA  PHE A  23      -5.341   6.854   0.583  1.00  0.00           H   new
ATOM      0  HB2 PHE A  23      -3.727   6.795   2.755  1.00  0.00           H   new
ATOM      0  HB3 PHE A  23      -3.742   8.536   2.562  1.00  0.00           H   new
ATOM      0  HD1 PHE A  23      -6.333   9.354   1.815  1.00  0.00           H   new
ATOM      0  HD2 PHE A  23      -5.275   6.035   4.327  1.00  0.00           H   new
ATOM      0  HE1 PHE A  23      -8.567   9.455   2.888  1.00  0.00           H   new
ATOM      0  HE2 PHE A  23      -7.509   6.135   5.400  1.00  0.00           H   new
ATOM      0  HZ  PHE A  23      -9.154   7.845   4.682  1.00  0.00           H   new
ATOM    408  N   VAL A  24      -5.651   8.937  -0.681  1.00  0.00           N
ATOM    409  CA  VAL A  24      -5.898  10.241  -1.360  1.00  0.00           C
ATOM    410  C   VAL A  24      -6.696  11.163  -0.437  1.00  0.00           C
ATOM    411  O   VAL A  24      -7.842  10.898  -0.119  1.00  0.00           O
ATOM    412  CB  VAL A  24      -6.710   9.894  -2.606  1.00  0.00           C
ATOM    413  CG1 VAL A  24      -6.919  11.154  -3.448  1.00  0.00           C
ATOM    414  CG2 VAL A  24      -5.958   8.848  -3.431  1.00  0.00           C
ATOM      0  H   VAL A  24      -6.296   8.188  -0.932  1.00  0.00           H   new
ATOM      0  HA  VAL A  24      -4.974  10.760  -1.613  1.00  0.00           H   new
ATOM      0  HB  VAL A  24      -7.678   9.493  -2.307  1.00  0.00           H   new
ATOM      0 HG11 VAL A  24      -7.499  10.905  -4.337  1.00  0.00           H   new
ATOM      0 HG12 VAL A  24      -7.456  11.899  -2.861  1.00  0.00           H   new
ATOM      0 HG13 VAL A  24      -5.951  11.557  -3.747  1.00  0.00           H   new
ATOM      0 HG21 VAL A  24      -6.538   8.600  -4.320  1.00  0.00           H   new
ATOM      0 HG22 VAL A  24      -4.989   9.248  -3.729  1.00  0.00           H   new
ATOM      0 HG23 VAL A  24      -5.811   7.949  -2.832  1.00  0.00           H   new
ATOM    424  N   VAL A  25      -6.097  12.240   0.000  1.00  0.00           N
ATOM    425  CA  VAL A  25      -6.811  13.184   0.909  1.00  0.00           C
ATOM    426  C   VAL A  25      -7.816  14.029   0.123  1.00  0.00           C
ATOM    427  O   VAL A  25      -9.009  13.942   0.336  1.00  0.00           O
ATOM    428  CB  VAL A  25      -5.715  14.067   1.502  1.00  0.00           C
ATOM    429  CG1 VAL A  25      -6.326  15.014   2.537  1.00  0.00           C
ATOM    430  CG2 VAL A  25      -4.660  13.188   2.175  1.00  0.00           C
ATOM      0  H   VAL A  25      -5.141  12.507  -0.235  1.00  0.00           H   new
ATOM      0  HA  VAL A  25      -7.377  12.661   1.680  1.00  0.00           H   new
ATOM      0  HB  VAL A  25      -5.249  14.650   0.707  1.00  0.00           H   new
ATOM      0 HG11 VAL A  25      -5.544  15.644   2.960  1.00  0.00           H   new
ATOM      0 HG12 VAL A  25      -7.077  15.641   2.057  1.00  0.00           H   new
ATOM      0 HG13 VAL A  25      -6.793  14.432   3.332  1.00  0.00           H   new
ATOM      0 HG21 VAL A  25      -3.878  13.818   2.598  1.00  0.00           H   new
ATOM      0 HG22 VAL A  25      -5.125  12.605   2.969  1.00  0.00           H   new
ATOM      0 HG23 VAL A  25      -4.224  12.514   1.438  1.00  0.00           H   new
ATOM    440  N   ALA A  26      -7.344  14.848  -0.783  1.00  0.00           N
ATOM    441  CA  ALA A  26      -8.280  15.696  -1.582  1.00  0.00           C
ATOM    442  C   ALA A  26      -9.506  14.875  -1.979  1.00  0.00           C
ATOM    443  O   ALA A  26     -10.634  15.262  -1.741  1.00  0.00           O
ATOM    444  CB  ALA A  26      -7.484  16.111  -2.820  1.00  0.00           C
ATOM      0  H   ALA A  26      -6.355  14.966  -1.003  1.00  0.00           H   new
ATOM      0  HA  ALA A  26      -8.638  16.562  -1.026  1.00  0.00           H   new
ATOM      0  HB1 ALA A  26      -8.106  16.738  -3.459  1.00  0.00           H   new
ATOM      0  HB2 ALA A  26      -6.599  16.669  -2.514  1.00  0.00           H   new
ATOM      0  HB3 ALA A  26      -7.179  15.222  -3.371  1.00  0.00           H   new
ATOM    450  N   GLU A  27      -9.290  13.729  -2.560  1.00  0.00           N
ATOM    451  CA  GLU A  27     -10.434  12.861  -2.953  1.00  0.00           C
ATOM    452  C   GLU A  27     -10.471  11.640  -2.032  1.00  0.00           C
ATOM    453  O   GLU A  27      -9.818  10.648  -2.283  1.00  0.00           O
ATOM    454  CB  GLU A  27     -10.146  12.445  -4.396  1.00  0.00           C
ATOM    455  CG  GLU A  27     -11.065  11.286  -4.787  1.00  0.00           C
ATOM    456  CD  GLU A  27     -11.651  11.546  -6.176  1.00  0.00           C
ATOM    457  OE1 GLU A  27     -10.938  11.344  -7.145  1.00  0.00           O
ATOM    458  OE2 GLU A  27     -12.803  11.942  -6.247  1.00  0.00           O
ATOM      0  H   GLU A  27      -8.367  13.355  -2.780  1.00  0.00           H   new
ATOM      0  HA  GLU A  27     -11.397  13.364  -2.873  1.00  0.00           H   new
ATOM      0  HB2 GLU A  27     -10.303  13.289  -5.067  1.00  0.00           H   new
ATOM      0  HB3 GLU A  27      -9.103  12.146  -4.498  1.00  0.00           H   new
ATOM      0  HG2 GLU A  27     -10.508  10.349  -4.785  1.00  0.00           H   new
ATOM      0  HG3 GLU A  27     -11.867  11.181  -4.056  1.00  0.00           H   new
ATOM    465  N   GLN A  28     -11.216  11.721  -0.958  1.00  0.00           N
ATOM    466  CA  GLN A  28     -11.294  10.581   0.007  1.00  0.00           C
ATOM    467  C   GLN A  28     -11.232   9.237  -0.723  1.00  0.00           C
ATOM    468  O   GLN A  28     -12.241   8.696  -1.133  1.00  0.00           O
ATOM    469  CB  GLN A  28     -12.643  10.748   0.705  1.00  0.00           C
ATOM    470  CG  GLN A  28     -12.561  10.175   2.122  1.00  0.00           C
ATOM    471  CD  GLN A  28     -12.396  11.317   3.126  1.00  0.00           C
ATOM    472  OE1 GLN A  28     -11.549  12.171   2.960  1.00  0.00           O
ATOM    473  NE2 GLN A  28     -13.177  11.368   4.171  1.00  0.00           N
ATOM      0  H   GLN A  28     -11.778  12.534  -0.706  1.00  0.00           H   new
ATOM      0  HA  GLN A  28     -10.460  10.588   0.709  1.00  0.00           H   new
ATOM      0  HB2 GLN A  28     -12.916  11.803   0.743  1.00  0.00           H   new
ATOM      0  HB3 GLN A  28     -13.422  10.237   0.140  1.00  0.00           H   new
ATOM      0  HG2 GLN A  28     -13.462   9.605   2.348  1.00  0.00           H   new
ATOM      0  HG3 GLN A  28     -11.721   9.485   2.199  1.00  0.00           H   new
ATOM      0 HE21 GLN A  28     -13.889  10.651   4.311  1.00  0.00           H   new
ATOM      0 HE22 GLN A  28     -13.075  12.125   4.847  1.00  0.00           H   new
ATOM    482  N   THR A  29     -10.056   8.693  -0.886  1.00  0.00           N
ATOM    483  CA  THR A  29      -9.938   7.381  -1.587  1.00  0.00           C
ATOM    484  C   THR A  29      -8.739   6.595  -1.048  1.00  0.00           C
ATOM    485  O   THR A  29      -7.657   6.654  -1.598  1.00  0.00           O
ATOM    486  CB  THR A  29      -9.732   7.734  -3.062  1.00  0.00           C
ATOM    487  OG1 THR A  29     -10.961   8.185  -3.613  1.00  0.00           O
ATOM    488  CG2 THR A  29      -9.251   6.498  -3.824  1.00  0.00           C
ATOM      0  H   THR A  29      -9.176   9.097  -0.566  1.00  0.00           H   new
ATOM      0  HA  THR A  29     -10.818   6.755  -1.438  1.00  0.00           H   new
ATOM      0  HB  THR A  29      -8.983   8.522  -3.147  1.00  0.00           H   new
ATOM      0  HG1 THR A  29     -10.929   8.109  -4.590  1.00  0.00           H   new
ATOM      0 HG21 THR A  29      -9.105   6.752  -4.874  1.00  0.00           H   new
ATOM      0 HG22 THR A  29      -8.308   6.153  -3.400  1.00  0.00           H   new
ATOM      0 HG23 THR A  29      -9.997   5.707  -3.742  1.00  0.00           H   new
ATOM    496  N   PRO A  30      -8.980   5.880   0.018  1.00  0.00           N
ATOM    497  CA  PRO A  30      -7.915   5.065   0.651  1.00  0.00           C
ATOM    498  C   PRO A  30      -7.605   3.832  -0.203  1.00  0.00           C
ATOM    499  O   PRO A  30      -8.264   2.816  -0.104  1.00  0.00           O
ATOM    500  CB  PRO A  30      -8.523   4.659   1.990  1.00  0.00           C
ATOM    501  CG  PRO A  30     -10.002   4.718   1.781  1.00  0.00           C
ATOM    502  CD  PRO A  30     -10.259   5.767   0.729  1.00  0.00           C
ATOM      0  HA  PRO A  30      -6.973   5.602   0.761  1.00  0.00           H   new
ATOM      0  HB2 PRO A  30      -8.206   3.657   2.279  1.00  0.00           H   new
ATOM      0  HB3 PRO A  30      -8.210   5.335   2.786  1.00  0.00           H   new
ATOM      0  HG2 PRO A  30     -10.385   3.749   1.460  1.00  0.00           H   new
ATOM      0  HG3 PRO A  30     -10.513   4.971   2.710  1.00  0.00           H   new
ATOM      0  HD2 PRO A  30     -11.064   5.469   0.057  1.00  0.00           H   new
ATOM      0  HD3 PRO A  30     -10.552   6.717   1.176  1.00  0.00           H   new
ATOM    510  N   SER A  31      -6.604   3.910  -1.037  1.00  0.00           N
ATOM    511  CA  SER A  31      -6.253   2.740  -1.892  1.00  0.00           C
ATOM    512  C   SER A  31      -5.148   1.916  -1.226  1.00  0.00           C
ATOM    513  O   SER A  31      -4.123   2.438  -0.835  1.00  0.00           O
ATOM    514  CB  SER A  31      -5.759   3.342  -3.206  1.00  0.00           C
ATOM    515  OG  SER A  31      -4.537   4.031  -2.977  1.00  0.00           O
ATOM      0  H   SER A  31      -6.014   4.733  -1.163  1.00  0.00           H   new
ATOM      0  HA  SER A  31      -7.099   2.071  -2.047  1.00  0.00           H   new
ATOM      0  HB2 SER A  31      -5.613   2.556  -3.947  1.00  0.00           H   new
ATOM      0  HB3 SER A  31      -6.506   4.026  -3.609  1.00  0.00           H   new
ATOM      0  HG  SER A  31      -4.727   4.936  -2.652  1.00  0.00           H   new
ATOM    521  N   CYS A  32      -5.348   0.633  -1.091  1.00  0.00           N
ATOM    522  CA  CYS A  32      -4.309  -0.220  -0.445  1.00  0.00           C
ATOM    523  C   CYS A  32      -3.605  -1.091  -1.490  1.00  0.00           C
ATOM    524  O   CYS A  32      -4.087  -2.143  -1.863  1.00  0.00           O
ATOM    525  CB  CYS A  32      -5.075  -1.088   0.553  1.00  0.00           C
ATOM    526  SG  CYS A  32      -6.351  -2.030  -0.321  1.00  0.00           S
ATOM      0  H   CYS A  32      -6.185   0.139  -1.400  1.00  0.00           H   new
ATOM      0  HA  CYS A  32      -3.534   0.373   0.041  1.00  0.00           H   new
ATOM      0  HB2 CYS A  32      -4.390  -1.767   1.061  1.00  0.00           H   new
ATOM      0  HB3 CYS A  32      -5.531  -0.462   1.320  1.00  0.00           H   new
ATOM      0  HG  CYS A  32      -5.895  -2.409  -1.478  1.00  0.00           H   new
ATOM    531  N   VAL A  33      -2.467  -0.663  -1.964  1.00  0.00           N
ATOM    532  CA  VAL A  33      -1.729  -1.467  -2.981  1.00  0.00           C
ATOM    533  C   VAL A  33      -0.755  -2.426  -2.289  1.00  0.00           C
ATOM    534  O   VAL A  33      -0.228  -2.134  -1.234  1.00  0.00           O
ATOM    535  CB  VAL A  33      -0.963  -0.442  -3.818  1.00  0.00           C
ATOM    536  CG1 VAL A  33       0.074  -1.161  -4.682  1.00  0.00           C
ATOM    537  CG2 VAL A  33      -1.941   0.313  -4.721  1.00  0.00           C
ATOM      0  H   VAL A  33      -2.015   0.210  -1.691  1.00  0.00           H   new
ATOM      0  HA  VAL A  33      -2.397  -2.074  -3.591  1.00  0.00           H   new
ATOM      0  HB  VAL A  33      -0.460   0.263  -3.156  1.00  0.00           H   new
ATOM      0 HG11 VAL A  33       0.620  -0.430  -5.279  1.00  0.00           H   new
ATOM      0 HG12 VAL A  33       0.771  -1.700  -4.041  1.00  0.00           H   new
ATOM      0 HG13 VAL A  33      -0.429  -1.866  -5.343  1.00  0.00           H   new
ATOM      0 HG21 VAL A  33      -1.395   1.044  -5.318  1.00  0.00           H   new
ATOM      0 HG22 VAL A  33      -2.444  -0.392  -5.382  1.00  0.00           H   new
ATOM      0 HG23 VAL A  33      -2.681   0.826  -4.107  1.00  0.00           H   new
ATOM    547  N   CYS A  34      -0.512  -3.568  -2.872  1.00  0.00           N
ATOM    548  CA  CYS A  34       0.427  -4.542  -2.242  1.00  0.00           C
ATOM    549  C   CYS A  34       1.490  -4.984  -3.250  1.00  0.00           C
ATOM    550  O   CYS A  34       1.319  -4.854  -4.446  1.00  0.00           O
ATOM    551  CB  CYS A  34      -0.448  -5.726  -1.829  1.00  0.00           C
ATOM    552  SG  CYS A  34      -1.919  -5.120  -0.965  1.00  0.00           S
ATOM      0  H   CYS A  34      -0.922  -3.869  -3.756  1.00  0.00           H   new
ATOM      0  HA  CYS A  34       0.958  -4.112  -1.393  1.00  0.00           H   new
ATOM      0  HB2 CYS A  34      -0.741  -6.299  -2.709  1.00  0.00           H   new
ATOM      0  HB3 CYS A  34       0.115  -6.399  -1.182  1.00  0.00           H   new
ATOM      0  HG  CYS A  34      -1.838  -5.426   0.296  1.00  0.00           H   new
ATOM    557  N   ASP A  35       2.588  -5.506  -2.775  1.00  0.00           N
ATOM    558  CA  ASP A  35       3.665  -5.957  -3.704  1.00  0.00           C
ATOM    559  C   ASP A  35       3.119  -7.006  -4.678  1.00  0.00           C
ATOM    560  O   ASP A  35       2.644  -8.051  -4.277  1.00  0.00           O
ATOM    561  CB  ASP A  35       4.735  -6.569  -2.800  1.00  0.00           C
ATOM    562  CG  ASP A  35       5.756  -5.497  -2.416  1.00  0.00           C
ATOM    563  OD1 ASP A  35       5.589  -4.367  -2.845  1.00  0.00           O
ATOM    564  OD2 ASP A  35       6.688  -5.824  -1.700  1.00  0.00           O
ATOM      0  H   ASP A  35       2.787  -5.640  -1.784  1.00  0.00           H   new
ATOM      0  HA  ASP A  35       4.060  -5.140  -4.308  1.00  0.00           H   new
ATOM      0  HB2 ASP A  35       4.274  -6.984  -1.904  1.00  0.00           H   new
ATOM      0  HB3 ASP A  35       5.232  -7.392  -3.314  1.00  0.00           H   new
ATOM    569  N   GLU A  36       3.183  -6.737  -5.953  1.00  0.00           N
ATOM    570  CA  GLU A  36       2.667  -7.720  -6.950  1.00  0.00           C
ATOM    571  C   GLU A  36       3.160  -9.129  -6.607  1.00  0.00           C
ATOM    572  O   GLU A  36       2.483 -10.110  -6.845  1.00  0.00           O
ATOM    573  CB  GLU A  36       3.240  -7.263  -8.292  1.00  0.00           C
ATOM    574  CG  GLU A  36       2.229  -7.549  -9.403  1.00  0.00           C
ATOM    575  CD  GLU A  36       1.828  -6.236 -10.080  1.00  0.00           C
ATOM    576  OE1 GLU A  36       1.782  -5.229  -9.392  1.00  0.00           O
ATOM    577  OE2 GLU A  36       1.575  -6.261 -11.273  1.00  0.00           O
ATOM      0  H   GLU A  36       3.570  -5.880  -6.348  1.00  0.00           H   new
ATOM      0  HA  GLU A  36       1.578  -7.759  -6.965  1.00  0.00           H   new
ATOM      0  HB2 GLU A  36       3.467  -6.198  -8.258  1.00  0.00           H   new
ATOM      0  HB3 GLU A  36       4.176  -7.783  -8.495  1.00  0.00           H   new
ATOM      0  HG2 GLU A  36       2.661  -8.231 -10.135  1.00  0.00           H   new
ATOM      0  HG3 GLU A  36       1.348  -8.041  -8.990  1.00  0.00           H   new
ATOM    584  N   GLY A  37       4.334  -9.236  -6.048  1.00  0.00           N
ATOM    585  CA  GLY A  37       4.869 -10.580  -5.690  1.00  0.00           C
ATOM    586  C   GLY A  37       4.441 -10.937  -4.265  1.00  0.00           C
ATOM    587  O   GLY A  37       5.215 -11.458  -3.487  1.00  0.00           O
ATOM      0  H   GLY A  37       4.946  -8.451  -5.824  1.00  0.00           H   new
ATOM      0  HA2 GLY A  37       4.499 -11.329  -6.390  1.00  0.00           H   new
ATOM      0  HA3 GLY A  37       5.956 -10.582  -5.766  1.00  0.00           H   new
ATOM    591  N   TYR A  38       3.215 -10.659  -3.917  1.00  0.00           N
ATOM    592  CA  TYR A  38       2.740 -10.983  -2.541  1.00  0.00           C
ATOM    593  C   TYR A  38       1.498 -11.884  -2.603  1.00  0.00           C
ATOM    594  O   TYR A  38       0.906 -12.069  -3.648  1.00  0.00           O
ATOM    595  CB  TYR A  38       2.427  -9.618  -1.899  1.00  0.00           C
ATOM    596  CG  TYR A  38       0.962  -9.268  -2.061  1.00  0.00           C
ATOM    597  CD1 TYR A  38       0.387  -9.217  -3.336  1.00  0.00           C
ATOM    598  CD2 TYR A  38       0.180  -8.999  -0.931  1.00  0.00           C
ATOM    599  CE1 TYR A  38      -0.968  -8.896  -3.482  1.00  0.00           C
ATOM    600  CE2 TYR A  38      -1.175  -8.680  -1.077  1.00  0.00           C
ATOM    601  CZ  TYR A  38      -1.749  -8.628  -2.352  1.00  0.00           C
ATOM    602  OH  TYR A  38      -3.086  -8.314  -2.495  1.00  0.00           O
ATOM      0  H   TYR A  38       2.522 -10.222  -4.524  1.00  0.00           H   new
ATOM      0  HA  TYR A  38       3.479 -11.533  -1.959  1.00  0.00           H   new
ATOM      0  HB2 TYR A  38       2.684  -9.642  -0.840  1.00  0.00           H   new
ATOM      0  HB3 TYR A  38       3.043  -8.845  -2.359  1.00  0.00           H   new
ATOM      0  HD1 TYR A  38       0.989  -9.425  -4.208  1.00  0.00           H   new
ATOM      0  HD2 TYR A  38       0.622  -9.038   0.053  1.00  0.00           H   new
ATOM      0  HE1 TYR A  38      -1.410  -8.855  -4.466  1.00  0.00           H   new
ATOM      0  HE2 TYR A  38      -1.778  -8.474  -0.205  1.00  0.00           H   new
ATOM      0  HH  TYR A  38      -3.482  -8.158  -1.612  1.00  0.00           H   new
ATOM    612  N   ILE A  39       1.101 -12.440  -1.491  1.00  0.00           N
ATOM    613  CA  ILE A  39      -0.100 -13.326  -1.486  1.00  0.00           C
ATOM    614  C   ILE A  39      -0.808 -13.247  -0.129  1.00  0.00           C
ATOM    615  O   ILE A  39      -0.194 -12.988   0.886  1.00  0.00           O
ATOM    616  CB  ILE A  39       0.447 -14.734  -1.724  1.00  0.00           C
ATOM    617  CG1 ILE A  39       0.917 -14.860  -3.176  1.00  0.00           C
ATOM    618  CG2 ILE A  39      -0.653 -15.762  -1.457  1.00  0.00           C
ATOM    619  CD1 ILE A  39       1.558 -16.233  -3.386  1.00  0.00           C
ATOM      0  H   ILE A  39       1.555 -12.320  -0.586  1.00  0.00           H   new
ATOM      0  HA  ILE A  39      -0.830 -13.039  -2.243  1.00  0.00           H   new
ATOM      0  HB  ILE A  39       1.285 -14.915  -1.051  1.00  0.00           H   new
ATOM      0 HG12 ILE A  39       0.074 -14.733  -3.855  1.00  0.00           H   new
ATOM      0 HG13 ILE A  39       1.634 -14.072  -3.407  1.00  0.00           H   new
ATOM      0 HG21 ILE A  39      -0.262 -16.765  -1.627  1.00  0.00           H   new
ATOM      0 HG22 ILE A  39      -0.990 -15.674  -0.424  1.00  0.00           H   new
ATOM      0 HG23 ILE A  39      -1.492 -15.581  -2.129  1.00  0.00           H   new
ATOM      0 HD11 ILE A  39       1.893 -16.324  -4.419  1.00  0.00           H   new
ATOM      0 HD12 ILE A  39       2.411 -16.342  -2.717  1.00  0.00           H   new
ATOM      0 HD13 ILE A  39       0.827 -17.012  -3.172  1.00  0.00           H   new
ATOM    631  N   GLY A  40      -2.095 -13.470  -0.103  1.00  0.00           N
ATOM    632  CA  GLY A  40      -2.836 -13.408   1.191  1.00  0.00           C
ATOM    633  C   GLY A  40      -3.781 -12.205   1.187  1.00  0.00           C
ATOM    634  O   GLY A  40      -3.768 -11.397   0.279  1.00  0.00           O
ATOM      0  H   GLY A  40      -2.664 -13.692  -0.920  1.00  0.00           H   new
ATOM      0  HA2 GLY A  40      -3.402 -14.327   1.341  1.00  0.00           H   new
ATOM      0  HA3 GLY A  40      -2.133 -13.328   2.020  1.00  0.00           H   new
ATOM    638  N   ALA A  41      -4.601 -12.079   2.195  1.00  0.00           N
ATOM    639  CA  ALA A  41      -5.546 -10.926   2.247  1.00  0.00           C
ATOM    640  C   ALA A  41      -4.878  -9.725   2.923  1.00  0.00           C
ATOM    641  O   ALA A  41      -4.983  -8.606   2.464  1.00  0.00           O
ATOM    642  CB  ALA A  41      -6.732 -11.417   3.077  1.00  0.00           C
ATOM      0  H   ALA A  41      -4.658 -12.723   2.984  1.00  0.00           H   new
ATOM      0  HA  ALA A  41      -5.854 -10.601   1.253  1.00  0.00           H   new
ATOM      0  HB1 ALA A  41      -7.472 -10.621   3.160  1.00  0.00           H   new
ATOM      0  HB2 ALA A  41      -7.183 -12.282   2.591  1.00  0.00           H   new
ATOM      0  HB3 ALA A  41      -6.388 -11.698   4.072  1.00  0.00           H   new
ATOM    648  N   ARG A  42      -4.191  -9.949   4.010  1.00  0.00           N
ATOM    649  CA  ARG A  42      -3.518  -8.817   4.711  1.00  0.00           C
ATOM    650  C   ARG A  42      -2.077  -8.675   4.217  1.00  0.00           C
ATOM    651  O   ARG A  42      -1.246  -8.061   4.858  1.00  0.00           O
ATOM    652  CB  ARG A  42      -3.543  -9.197   6.191  1.00  0.00           C
ATOM    653  CG  ARG A  42      -4.831  -8.672   6.826  1.00  0.00           C
ATOM    654  CD  ARG A  42      -4.512  -8.043   8.183  1.00  0.00           C
ATOM    655  NE  ARG A  42      -5.177  -8.927   9.180  1.00  0.00           N
ATOM    656  CZ  ARG A  42      -5.023  -8.700  10.456  1.00  0.00           C
ATOM    657  NH1 ARG A  42      -3.955  -9.131  11.069  1.00  0.00           N
ATOM    658  NH2 ARG A  42      -5.938  -8.043  11.116  1.00  0.00           N
ATOM      0  H   ARG A  42      -4.066 -10.864   4.443  1.00  0.00           H   new
ATOM      0  HA  ARG A  42      -4.013  -7.863   4.528  1.00  0.00           H   new
ATOM      0  HB2 ARG A  42      -3.485 -10.280   6.301  1.00  0.00           H   new
ATOM      0  HB3 ARG A  42      -2.676  -8.778   6.701  1.00  0.00           H   new
ATOM      0  HG2 ARG A  42      -5.297  -7.935   6.172  1.00  0.00           H   new
ATOM      0  HG3 ARG A  42      -5.546  -9.486   6.949  1.00  0.00           H   new
ATOM      0  HD2 ARG A  42      -3.436  -7.995   8.353  1.00  0.00           H   new
ATOM      0  HD3 ARG A  42      -4.891  -7.023   8.245  1.00  0.00           H   new
ATOM      0  HE  ARG A  42      -5.752  -9.709   8.866  1.00  0.00           H   new
ATOM      0 HH11 ARG A  42      -3.242  -9.644  10.551  1.00  0.00           H   new
ATOM      0 HH12 ARG A  42      -3.833  -8.954  12.066  1.00  0.00           H   new
ATOM      0 HH21 ARG A  42      -6.772  -7.708  10.634  1.00  0.00           H   new
ATOM      0 HH22 ARG A  42      -5.819  -7.865  12.113  1.00  0.00           H   new
ATOM    672  N   CYS A  43      -1.774  -9.239   3.080  1.00  0.00           N
ATOM    673  CA  CYS A  43      -0.387  -9.134   2.543  1.00  0.00           C
ATOM    674  C   CYS A  43       0.599  -9.791   3.514  1.00  0.00           C
ATOM    675  O   CYS A  43       1.671  -9.278   3.766  1.00  0.00           O
ATOM    676  CB  CYS A  43      -0.114  -7.632   2.434  1.00  0.00           C
ATOM    677  SG  CYS A  43      -1.533  -6.807   1.668  1.00  0.00           S
ATOM      0  H   CYS A  43      -2.426  -9.767   2.500  1.00  0.00           H   new
ATOM      0  HA  CYS A  43      -0.274  -9.636   1.582  1.00  0.00           H   new
ATOM      0  HB2 CYS A  43       0.072  -7.214   3.423  1.00  0.00           H   new
ATOM      0  HB3 CYS A  43       0.784  -7.458   1.841  1.00  0.00           H   new
ATOM      0  HG  CYS A  43      -1.395  -6.816   0.375  1.00  0.00           H   new
ATOM    682  N   GLU A  44       0.242 -10.922   4.062  1.00  0.00           N
ATOM    683  CA  GLU A  44       1.158 -11.609   5.020  1.00  0.00           C
ATOM    684  C   GLU A  44       1.933 -12.722   4.313  1.00  0.00           C
ATOM    685  O   GLU A  44       3.013 -13.098   4.725  1.00  0.00           O
ATOM    686  CB  GLU A  44       0.241 -12.197   6.093  1.00  0.00           C
ATOM    687  CG  GLU A  44      -0.607 -13.314   5.481  1.00  0.00           C
ATOM    688  CD  GLU A  44      -0.013 -14.672   5.860  1.00  0.00           C
ATOM    689  OE1 GLU A  44       0.483 -14.793   6.967  1.00  0.00           O
ATOM    690  OE2 GLU A  44      -0.065 -15.570   5.034  1.00  0.00           O
ATOM      0  H   GLU A  44      -0.642 -11.399   3.888  1.00  0.00           H   new
ATOM      0  HA  GLU A  44       1.897 -10.927   5.441  1.00  0.00           H   new
ATOM      0  HB2 GLU A  44       0.834 -12.587   6.920  1.00  0.00           H   new
ATOM      0  HB3 GLU A  44      -0.403 -11.419   6.502  1.00  0.00           H   new
ATOM      0  HG2 GLU A  44      -1.634 -13.242   5.838  1.00  0.00           H   new
ATOM      0  HG3 GLU A  44      -0.638 -13.209   4.397  1.00  0.00           H   new
ATOM    697  N   ARG A  45       1.395 -13.254   3.249  1.00  0.00           N
ATOM    698  CA  ARG A  45       2.107 -14.341   2.518  1.00  0.00           C
ATOM    699  C   ARG A  45       2.995 -13.741   1.424  1.00  0.00           C
ATOM    700  O   ARG A  45       2.818 -12.609   1.019  1.00  0.00           O
ATOM    701  CB  ARG A  45       1.002 -15.200   1.903  1.00  0.00           C
ATOM    702  CG  ARG A  45       1.132 -16.638   2.409  1.00  0.00           C
ATOM    703  CD  ARG A  45       1.544 -17.551   1.252  1.00  0.00           C
ATOM    704  NE  ARG A  45       2.298 -18.665   1.888  1.00  0.00           N
ATOM    705  CZ  ARG A  45       2.839 -19.593   1.147  1.00  0.00           C
ATOM    706  NH1 ARG A  45       2.502 -19.703  -0.109  1.00  0.00           N
ATOM    707  NH2 ARG A  45       3.718 -20.410   1.661  1.00  0.00           N
ATOM      0  H   ARG A  45       0.494 -12.983   2.855  1.00  0.00           H   new
ATOM      0  HA  ARG A  45       2.755 -14.925   3.172  1.00  0.00           H   new
ATOM      0  HB2 ARG A  45       0.024 -14.797   2.167  1.00  0.00           H   new
ATOM      0  HB3 ARG A  45       1.073 -15.178   0.816  1.00  0.00           H   new
ATOM      0  HG2 ARG A  45       1.872 -16.688   3.207  1.00  0.00           H   new
ATOM      0  HG3 ARG A  45       0.185 -16.973   2.831  1.00  0.00           H   new
ATOM      0  HD2 ARG A  45       0.672 -17.922   0.713  1.00  0.00           H   new
ATOM      0  HD3 ARG A  45       2.162 -17.018   0.530  1.00  0.00           H   new
ATOM      0  HE  ARG A  45       2.392 -18.703   2.903  1.00  0.00           H   new
ATOM      0 HH11 ARG A  45       1.816 -19.064  -0.511  1.00  0.00           H   new
ATOM      0 HH12 ARG A  45       2.924 -20.428  -0.689  1.00  0.00           H   new
ATOM      0 HH21 ARG A  45       3.982 -20.323   2.642  1.00  0.00           H   new
ATOM      0 HH22 ARG A  45       4.140 -21.135   1.081  1.00  0.00           H   new
ATOM    721  N   VAL A  46       3.950 -14.489   0.943  1.00  0.00           N
ATOM    722  CA  VAL A  46       4.848 -13.957  -0.124  1.00  0.00           C
ATOM    723  C   VAL A  46       4.723 -14.804  -1.392  1.00  0.00           C
ATOM    724  O   VAL A  46       4.256 -15.926  -1.357  1.00  0.00           O
ATOM    725  CB  VAL A  46       6.258 -14.061   0.456  1.00  0.00           C
ATOM    726  CG1 VAL A  46       6.662 -15.533   0.556  1.00  0.00           C
ATOM    727  CG2 VAL A  46       7.240 -13.324  -0.456  1.00  0.00           C
ATOM      0  H   VAL A  46       4.148 -15.444   1.241  1.00  0.00           H   new
ATOM      0  HA  VAL A  46       4.597 -12.933  -0.402  1.00  0.00           H   new
ATOM      0  HB  VAL A  46       6.276 -13.611   1.449  1.00  0.00           H   new
ATOM      0 HG11 VAL A  46       7.668 -15.607   0.970  1.00  0.00           H   new
ATOM      0 HG12 VAL A  46       5.963 -16.059   1.206  1.00  0.00           H   new
ATOM      0 HG13 VAL A  46       6.644 -15.984  -0.436  1.00  0.00           H   new
ATOM      0 HG21 VAL A  46       8.246 -13.398  -0.043  1.00  0.00           H   new
ATOM      0 HG22 VAL A  46       7.222 -13.773  -1.449  1.00  0.00           H   new
ATOM      0 HG23 VAL A  46       6.953 -12.275  -0.527  1.00  0.00           H   new