USER  MOD reduce.3.24.130724 H: found=0, std=0, add=151, rem=0, adj=7
USER  MOD reduce.3.24.130724 removed 149 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  11 LYS NZ  :NH3+   -174:sc=    1.53   (180deg=1.17)
USER  MOD Set 1.2: A  18 TYR OH  :   rot  180:sc=   0.276
USER  MOD Set 2.1: A  12 CYS SG  :   rot  141:sc=    1.95
USER  MOD Set 2.2: A  15 CYS SG  :   rot  -48:sc=    1.21
USER  MOD Set 2.3: A  29 HIS     :     no HE2:sc=   0.725  K(o=3.8,f=-2.7)
USER  MOD Set 2.4: A  33 HIS     :     no HD1:sc= -0.0875  K(o=3.8,f=-2.3!)
USER  MOD Single : A  10 MET CE  :methyl -160:sc=  -0.723   (180deg=-2.76)
USER  MOD Single : A  14 TYR OH  :   rot  180:sc=       0
USER  MOD Single : A  27 GLN     :      amide:sc=       0  X(o=0,f=0)
USER  MOD -----------------------------------------------------------------
ATOM    102  N   MET A  10      -3.392  -5.609  -3.623  1.00  0.00           N
ATOM    103  CA  MET A  10      -2.254  -4.992  -4.319  1.00  0.00           C
ATOM    104  C   MET A  10      -0.967  -5.135  -3.489  1.00  0.00           C
ATOM    105  O   MET A  10      -1.053  -5.253  -2.263  1.00  0.00           O
ATOM    106  CB  MET A  10      -2.612  -3.535  -4.665  1.00  0.00           C
ATOM    107  CG  MET A  10      -2.225  -2.480  -3.619  1.00  0.00           C
ATOM    108  SD  MET A  10      -0.509  -1.887  -3.714  1.00  0.00           S
ATOM    109  CE  MET A  10       0.034  -2.168  -2.007  1.00  0.00           C
ATOM      0  HA  MET A  10      -2.052  -5.508  -5.258  1.00  0.00           H   new
ATOM      0  HB2 MET A  10      -2.129  -3.277  -5.608  1.00  0.00           H   new
ATOM      0  HB3 MET A  10      -3.688  -3.476  -4.831  1.00  0.00           H   new
ATOM      0  HG2 MET A  10      -2.894  -1.626  -3.724  1.00  0.00           H   new
ATOM      0  HG3 MET A  10      -2.394  -2.897  -2.626  1.00  0.00           H   new
ATOM      0  HE1 MET A  10       0.909  -1.553  -1.798  1.00  0.00           H   new
ATOM      0  HE2 MET A  10      -0.770  -1.901  -1.321  1.00  0.00           H   new
ATOM      0  HE3 MET A  10       0.289  -3.219  -1.875  1.00  0.00           H   new
ATOM    119  N   LYS A  11       0.214  -5.083  -4.127  1.00  0.00           N
ATOM    120  CA  LYS A  11       1.532  -5.109  -3.457  1.00  0.00           C
ATOM    121  C   LYS A  11       2.333  -3.815  -3.677  1.00  0.00           C
ATOM    122  O   LYS A  11       2.364  -3.286  -4.790  1.00  0.00           O
ATOM    123  CB  LYS A  11       2.308  -6.356  -3.904  1.00  0.00           C
ATOM    124  CG  LYS A  11       3.470  -6.644  -2.942  1.00  0.00           C
ATOM    125  CD  LYS A  11       4.160  -7.973  -3.264  1.00  0.00           C
ATOM    126  CE  LYS A  11       5.121  -8.287  -2.116  1.00  0.00           C
ATOM    127  NZ  LYS A  11       5.538  -9.708  -2.089  1.00  0.00           N
ATOM      0  H   LYS A  11       0.284  -5.020  -5.143  1.00  0.00           H   new
ATOM      0  HA  LYS A  11       1.368  -5.166  -2.381  1.00  0.00           H   new
ATOM      0  HB2 LYS A  11       1.637  -7.215  -3.940  1.00  0.00           H   new
ATOM      0  HB3 LYS A  11       2.692  -6.209  -4.913  1.00  0.00           H   new
ATOM      0  HG2 LYS A  11       4.197  -5.834  -2.998  1.00  0.00           H   new
ATOM      0  HG3 LYS A  11       3.097  -6.667  -1.918  1.00  0.00           H   new
ATOM      0  HD2 LYS A  11       3.424  -8.769  -3.375  1.00  0.00           H   new
ATOM      0  HD3 LYS A  11       4.701  -7.905  -4.208  1.00  0.00           H   new
ATOM      0  HE2 LYS A  11       6.005  -7.655  -2.205  1.00  0.00           H   new
ATOM      0  HE3 LYS A  11       4.643  -8.035  -1.169  1.00  0.00           H   new
ATOM      0  HZ1 LYS A  11       6.105  -9.887  -1.236  1.00  0.00           H   new
ATOM      0  HZ2 LYS A  11       4.695 -10.317  -2.079  1.00  0.00           H   new
ATOM      0  HZ3 LYS A  11       6.107  -9.919  -2.934  1.00  0.00           H   new
ATOM    141  N   CYS A  12       2.986  -3.327  -2.618  1.00  0.00           N
ATOM    142  CA  CYS A  12       3.693  -2.042  -2.563  1.00  0.00           C
ATOM    143  C   CYS A  12       4.785  -1.918  -3.653  1.00  0.00           C
ATOM    144  O   CYS A  12       5.518  -2.882  -3.909  1.00  0.00           O
ATOM    145  CB  CYS A  12       4.264  -1.926  -1.140  1.00  0.00           C
ATOM    146  SG  CYS A  12       5.290  -0.439  -0.883  1.00  0.00           S
ATOM      0  H   CYS A  12       3.039  -3.838  -1.737  1.00  0.00           H   new
ATOM      0  HA  CYS A  12       3.012  -1.218  -2.773  1.00  0.00           H   new
ATOM      0  HB2 CYS A  12       3.440  -1.916  -0.427  1.00  0.00           H   new
ATOM      0  HB3 CYS A  12       4.862  -2.811  -0.924  1.00  0.00           H   new
ATOM      0  HG  CYS A  12       5.056   0.051   0.298  1.00  0.00           H   new
ATOM    151  N   PRO A  13       4.923  -0.739  -4.296  1.00  0.00           N
ATOM    152  CA  PRO A  13       5.954  -0.503  -5.305  1.00  0.00           C
ATOM    153  C   PRO A  13       7.380  -0.395  -4.722  1.00  0.00           C
ATOM    154  O   PRO A  13       8.335  -0.290  -5.498  1.00  0.00           O
ATOM    155  CB  PRO A  13       5.506   0.747  -6.073  1.00  0.00           C
ATOM    156  CG  PRO A  13       4.568   1.481  -5.117  1.00  0.00           C
ATOM    157  CD  PRO A  13       4.021   0.401  -4.197  1.00  0.00           C
ATOM      0  HA  PRO A  13       6.041  -1.358  -5.975  1.00  0.00           H   new
ATOM      0  HB2 PRO A  13       6.358   1.369  -6.346  1.00  0.00           H   new
ATOM      0  HB3 PRO A  13       4.997   0.480  -6.999  1.00  0.00           H   new
ATOM      0  HG2 PRO A  13       5.100   2.248  -4.553  1.00  0.00           H   new
ATOM      0  HG3 PRO A  13       3.766   1.982  -5.658  1.00  0.00           H   new
ATOM      0  HD2 PRO A  13       3.966   0.761  -3.170  1.00  0.00           H   new
ATOM      0  HD3 PRO A  13       3.010   0.120  -4.491  1.00  0.00           H   new
ATOM    165  N   TYR A  14       7.551  -0.449  -3.391  1.00  0.00           N
ATOM    166  CA  TYR A  14       8.857  -0.338  -2.709  1.00  0.00           C
ATOM    167  C   TYR A  14       9.182  -1.480  -1.728  1.00  0.00           C
ATOM    168  O   TYR A  14      10.367  -1.761  -1.523  1.00  0.00           O
ATOM    169  CB  TYR A  14       8.929   0.999  -1.960  1.00  0.00           C
ATOM    170  CG  TYR A  14       8.888   2.230  -2.844  1.00  0.00           C
ATOM    171  CD1 TYR A  14       7.648   2.750  -3.256  1.00  0.00           C
ATOM    172  CD2 TYR A  14      10.086   2.853  -3.248  1.00  0.00           C
ATOM    173  CE1 TYR A  14       7.606   3.867  -4.113  1.00  0.00           C
ATOM    174  CE2 TYR A  14      10.045   3.987  -4.083  1.00  0.00           C
ATOM    175  CZ  TYR A  14       8.802   4.488  -4.530  1.00  0.00           C
ATOM    176  OH  TYR A  14       8.750   5.556  -5.371  1.00  0.00           O
ATOM      0  H   TYR A  14       6.772  -0.573  -2.744  1.00  0.00           H   new
ATOM      0  HA  TYR A  14       9.604  -0.403  -3.500  1.00  0.00           H   new
ATOM      0  HB2 TYR A  14       8.099   1.049  -1.255  1.00  0.00           H   new
ATOM      0  HB3 TYR A  14       9.848   1.021  -1.374  1.00  0.00           H   new
ATOM      0  HD1 TYR A  14       6.730   2.294  -2.916  1.00  0.00           H   new
ATOM      0  HD2 TYR A  14      11.036   2.461  -2.917  1.00  0.00           H   new
ATOM      0  HE1 TYR A  14       6.655   4.249  -4.452  1.00  0.00           H   new
ATOM      0  HE2 TYR A  14      10.962   4.473  -4.381  1.00  0.00           H   new
ATOM      0  HH  TYR A  14       9.660   5.868  -5.561  1.00  0.00           H   new
ATOM    186  N   CYS A  15       8.181  -2.130  -1.116  1.00  0.00           N
ATOM    187  CA  CYS A  15       8.380  -3.191  -0.113  1.00  0.00           C
ATOM    188  C   CYS A  15       7.443  -4.411  -0.278  1.00  0.00           C
ATOM    189  O   CYS A  15       6.739  -4.564  -1.278  1.00  0.00           O
ATOM    190  CB  CYS A  15       8.360  -2.565   1.299  1.00  0.00           C
ATOM    191  SG  CYS A  15       6.680  -2.200   1.880  1.00  0.00           S
ATOM      0  H   CYS A  15       7.198  -1.933  -1.305  1.00  0.00           H   new
ATOM      0  HA  CYS A  15       9.364  -3.631  -0.278  1.00  0.00           H   new
ATOM      0  HB2 CYS A  15       8.843  -3.246   2.000  1.00  0.00           H   new
ATOM      0  HB3 CYS A  15       8.946  -1.646   1.293  1.00  0.00           H   new
ATOM      0  HG  CYS A  15       6.029  -1.563   0.952  1.00  0.00           H   new
ATOM    196  N   ASP A  16       7.485  -5.324   0.695  1.00  0.00           N
ATOM    197  CA  ASP A  16       6.764  -6.603   0.688  1.00  0.00           C
ATOM    198  C   ASP A  16       5.287  -6.497   1.138  1.00  0.00           C
ATOM    199  O   ASP A  16       4.567  -7.496   1.123  1.00  0.00           O
ATOM    200  CB  ASP A  16       7.563  -7.603   1.542  1.00  0.00           C
ATOM    201  CG  ASP A  16       7.105  -9.063   1.364  1.00  0.00           C
ATOM    202  OD1 ASP A  16       7.090  -9.554   0.208  1.00  0.00           O
ATOM    203  OD2 ASP A  16       6.812  -9.739   2.381  1.00  0.00           O
ATOM      0  H   ASP A  16       8.041  -5.190   1.540  1.00  0.00           H   new
ATOM      0  HA  ASP A  16       6.696  -6.954  -0.342  1.00  0.00           H   new
ATOM      0  HB2 ASP A  16       8.619  -7.527   1.284  1.00  0.00           H   new
ATOM      0  HB3 ASP A  16       7.471  -7.327   2.592  1.00  0.00           H   new
ATOM    208  N   PHE A  17       4.821  -5.314   1.556  1.00  0.00           N
ATOM    209  CA  PHE A  17       3.502  -5.124   2.180  1.00  0.00           C
ATOM    210  C   PHE A  17       2.336  -4.987   1.173  1.00  0.00           C
ATOM    211  O   PHE A  17       2.525  -4.567   0.027  1.00  0.00           O
ATOM    212  CB  PHE A  17       3.578  -3.940   3.158  1.00  0.00           C
ATOM    213  CG  PHE A  17       2.583  -4.014   4.302  1.00  0.00           C
ATOM    214  CD1 PHE A  17       2.895  -4.756   5.458  1.00  0.00           C
ATOM    215  CD2 PHE A  17       1.346  -3.351   4.217  1.00  0.00           C
ATOM    216  CE1 PHE A  17       1.977  -4.828   6.521  1.00  0.00           C
ATOM    217  CE2 PHE A  17       0.427  -3.423   5.279  1.00  0.00           C
ATOM    218  CZ  PHE A  17       0.742  -4.161   6.431  1.00  0.00           C
ATOM      0  H   PHE A  17       5.355  -4.449   1.470  1.00  0.00           H   new
ATOM      0  HA  PHE A  17       3.262  -6.035   2.728  1.00  0.00           H   new
ATOM      0  HB2 PHE A  17       4.586  -3.888   3.570  1.00  0.00           H   new
ATOM      0  HB3 PHE A  17       3.411  -3.015   2.605  1.00  0.00           H   new
ATOM      0  HD1 PHE A  17       3.842  -5.271   5.528  1.00  0.00           H   new
ATOM      0  HD2 PHE A  17       1.100  -2.784   3.332  1.00  0.00           H   new
ATOM      0  HE1 PHE A  17       2.220  -5.396   7.407  1.00  0.00           H   new
ATOM      0  HE2 PHE A  17      -0.521  -2.911   5.208  1.00  0.00           H   new
ATOM      0  HZ  PHE A  17       0.037  -4.216   7.247  1.00  0.00           H   new
ATOM    228  N   TYR A  18       1.114  -5.317   1.617  1.00  0.00           N
ATOM    229  CA  TYR A  18      -0.117  -5.329   0.810  1.00  0.00           C
ATOM    230  C   TYR A  18      -1.203  -4.358   1.313  1.00  0.00           C
ATOM    231  O   TYR A  18      -1.344  -4.146   2.519  1.00  0.00           O
ATOM    232  CB  TYR A  18      -0.698  -6.753   0.763  1.00  0.00           C
ATOM    233  CG  TYR A  18       0.196  -7.790   0.114  1.00  0.00           C
ATOM    234  CD1 TYR A  18       1.234  -8.388   0.854  1.00  0.00           C
ATOM    235  CD2 TYR A  18      -0.013  -8.166  -1.225  1.00  0.00           C
ATOM    236  CE1 TYR A  18       2.071  -9.342   0.252  1.00  0.00           C
ATOM    237  CE2 TYR A  18       0.816  -9.129  -1.829  1.00  0.00           C
ATOM    238  CZ  TYR A  18       1.860  -9.728  -1.088  1.00  0.00           C
ATOM    239  OH  TYR A  18       2.663 -10.672  -1.657  1.00  0.00           O
ATOM      0  H   TYR A  18       0.949  -5.594   2.585  1.00  0.00           H   new
ATOM      0  HA  TYR A  18       0.173  -4.990  -0.185  1.00  0.00           H   new
ATOM      0  HB2 TYR A  18      -0.919  -7.072   1.781  1.00  0.00           H   new
ATOM      0  HB3 TYR A  18      -1.646  -6.725   0.225  1.00  0.00           H   new
ATOM      0  HD1 TYR A  18       1.387  -8.112   1.887  1.00  0.00           H   new
ATOM      0  HD2 TYR A  18      -0.813  -7.714  -1.792  1.00  0.00           H   new
ATOM      0  HE1 TYR A  18       2.879  -9.782   0.817  1.00  0.00           H   new
ATOM      0  HE2 TYR A  18       0.655  -9.411  -2.859  1.00  0.00           H   new
ATOM      0  HH  TYR A  18       2.383 -10.824  -2.584  1.00  0.00           H   new
ATOM    352  N   LEU A  26      -2.500   3.543   1.525  1.00  0.00           N
ATOM    353  CA  LEU A  26      -1.422   3.173   0.599  1.00  0.00           C
ATOM    354  C   LEU A  26      -0.705   4.412   0.042  1.00  0.00           C
ATOM    355  O   LEU A  26       0.520   4.415  -0.053  1.00  0.00           O
ATOM    356  CB  LEU A  26      -1.998   2.320  -0.545  1.00  0.00           C
ATOM    357  CG  LEU A  26      -0.992   1.982  -1.662  1.00  0.00           C
ATOM    358  CD1 LEU A  26       0.193   1.166  -1.146  1.00  0.00           C
ATOM    359  CD2 LEU A  26      -1.704   1.198  -2.758  1.00  0.00           C
ATOM      0  HA  LEU A  26      -0.682   2.591   1.148  1.00  0.00           H   new
ATOM      0  HB2 LEU A  26      -2.384   1.390  -0.128  1.00  0.00           H   new
ATOM      0  HB3 LEU A  26      -2.844   2.848  -0.984  1.00  0.00           H   new
ATOM      0  HG  LEU A  26      -0.601   2.922  -2.051  1.00  0.00           H   new
ATOM      0 HD11 LEU A  26       0.874   0.953  -1.970  1.00  0.00           H   new
ATOM      0 HD12 LEU A  26       0.719   1.734  -0.378  1.00  0.00           H   new
ATOM      0 HD13 LEU A  26      -0.168   0.229  -0.721  1.00  0.00           H   new
ATOM      0 HD21 LEU A  26      -0.996   0.956  -3.551  1.00  0.00           H   new
ATOM      0 HD22 LEU A  26      -2.110   0.276  -2.341  1.00  0.00           H   new
ATOM      0 HD23 LEU A  26      -2.516   1.800  -3.167  1.00  0.00           H   new
ATOM    371  N   GLN A  27      -1.442   5.478  -0.284  1.00  0.00           N
ATOM    372  CA  GLN A  27      -0.849   6.747  -0.723  1.00  0.00           C
ATOM    373  C   GLN A  27       0.155   7.281   0.312  1.00  0.00           C
ATOM    374  O   GLN A  27       1.284   7.620  -0.041  1.00  0.00           O
ATOM    375  CB  GLN A  27      -1.958   7.778  -0.992  1.00  0.00           C
ATOM    376  CG  GLN A  27      -2.732   7.473  -2.284  1.00  0.00           C
ATOM    377  CD  GLN A  27      -3.861   8.476  -2.516  1.00  0.00           C
ATOM    378  OE1 GLN A  27      -5.033   8.211  -2.282  1.00  0.00           O
ATOM    379  NE2 GLN A  27      -3.559   9.670  -2.985  1.00  0.00           N
ATOM      0  H   GLN A  27      -2.461   5.487  -0.252  1.00  0.00           H   new
ATOM      0  HA  GLN A  27      -0.301   6.569  -1.648  1.00  0.00           H   new
ATOM      0  HB2 GLN A  27      -2.650   7.792  -0.150  1.00  0.00           H   new
ATOM      0  HB3 GLN A  27      -1.518   8.773  -1.060  1.00  0.00           H   new
ATOM      0  HG2 GLN A  27      -2.047   7.493  -3.132  1.00  0.00           H   new
ATOM      0  HG3 GLN A  27      -3.145   6.466  -2.232  1.00  0.00           H   new
ATOM      0 HE21 GLN A  27      -2.588   9.908  -3.186  1.00  0.00           H   new
ATOM      0 HE22 GLN A  27      -4.296  10.356  -3.147  1.00  0.00           H   new
ATOM    388  N   ARG A  28      -0.211   7.253   1.603  1.00  0.00           N
ATOM    389  CA  ARG A  28       0.648   7.669   2.730  1.00  0.00           C
ATOM    390  C   ARG A  28       1.847   6.738   2.912  1.00  0.00           C
ATOM    391  O   ARG A  28       2.972   7.206   3.074  1.00  0.00           O
ATOM    392  CB  ARG A  28      -0.181   7.755   4.026  1.00  0.00           C
ATOM    393  CG  ARG A  28      -1.396   8.681   3.874  1.00  0.00           C
ATOM    394  CD  ARG A  28      -2.118   8.883   5.211  1.00  0.00           C
ATOM    395  NE  ARG A  28      -3.320   9.728   5.050  1.00  0.00           N
ATOM    396  CZ  ARG A  28      -3.387  11.048   5.088  1.00  0.00           C
ATOM    397  NH1 ARG A  28      -2.338  11.796   5.285  1.00  0.00           N
ATOM    398  NH2 ARG A  28      -4.529  11.651   4.923  1.00  0.00           N
ATOM      0  H   ARG A  28      -1.132   6.934   1.902  1.00  0.00           H   new
ATOM      0  HA  ARG A  28       1.045   8.657   2.497  1.00  0.00           H   new
ATOM      0  HB2 ARG A  28      -0.519   6.757   4.307  1.00  0.00           H   new
ATOM      0  HB3 ARG A  28       0.451   8.117   4.837  1.00  0.00           H   new
ATOM      0  HG2 ARG A  28      -1.073   9.646   3.484  1.00  0.00           H   new
ATOM      0  HG3 ARG A  28      -2.088   8.259   3.146  1.00  0.00           H   new
ATOM      0  HD2 ARG A  28      -2.404   7.915   5.622  1.00  0.00           H   new
ATOM      0  HD3 ARG A  28      -1.439   9.346   5.927  1.00  0.00           H   new
ATOM      0  HE  ARG A  28      -4.199   9.236   4.891  1.00  0.00           H   new
ATOM      0 HH11 ARG A  28      -1.423  11.366   5.417  1.00  0.00           H   new
ATOM      0 HH12 ARG A  28      -2.433  12.811   5.307  1.00  0.00           H   new
ATOM      0 HH21 ARG A  28      -5.376  11.105   4.764  1.00  0.00           H   new
ATOM      0 HH22 ARG A  28      -4.577  12.669   4.953  1.00  0.00           H   new
ATOM    412  N   HIS A  29       1.618   5.431   2.818  1.00  0.00           N
ATOM    413  CA  HIS A  29       2.656   4.395   2.876  1.00  0.00           C
ATOM    414  C   HIS A  29       3.702   4.538   1.751  1.00  0.00           C
ATOM    415  O   HIS A  29       4.899   4.360   1.983  1.00  0.00           O
ATOM    416  CB  HIS A  29       1.965   3.024   2.836  1.00  0.00           C
ATOM    417  CG  HIS A  29       2.911   1.852   2.875  1.00  0.00           C
ATOM    418  ND1 HIS A  29       3.360   1.202   4.001  1.00  0.00           N
ATOM    419  CD2 HIS A  29       3.463   1.218   1.794  1.00  0.00           C
ATOM    420  CE1 HIS A  29       4.165   0.199   3.617  1.00  0.00           C
ATOM    421  NE2 HIS A  29       4.298   0.182   2.267  1.00  0.00           N
ATOM      0  H   HIS A  29       0.680   5.048   2.696  1.00  0.00           H   new
ATOM      0  HA  HIS A  29       3.216   4.505   3.805  1.00  0.00           H   new
ATOM      0  HB2 HIS A  29       1.279   2.951   3.680  1.00  0.00           H   new
ATOM      0  HB3 HIS A  29       1.363   2.960   1.930  1.00  0.00           H   new
ATOM      0  HD1 HIS A  29       3.122   1.441   4.963  1.00  0.00           H   new
ATOM      0  HD2 HIS A  29       3.290   1.467   0.758  1.00  0.00           H   new
ATOM      0  HE1 HIS A  29       4.641  -0.499   4.290  1.00  0.00           H   new
ATOM    429  N   ILE A  30       3.282   4.907   0.537  1.00  0.00           N
ATOM    430  CA  ILE A  30       4.182   5.157  -0.599  1.00  0.00           C
ATOM    431  C   ILE A  30       4.919   6.488  -0.450  1.00  0.00           C
ATOM    432  O   ILE A  30       6.143   6.527  -0.570  1.00  0.00           O
ATOM    433  CB  ILE A  30       3.393   5.089  -1.922  1.00  0.00           C
ATOM    434  CG1 ILE A  30       3.013   3.625  -2.220  1.00  0.00           C
ATOM    435  CG2 ILE A  30       4.224   5.679  -3.072  1.00  0.00           C
ATOM    436  CD1 ILE A  30       2.020   3.517  -3.377  1.00  0.00           C
ATOM      0  H   ILE A  30       2.297   5.043   0.310  1.00  0.00           H   new
ATOM      0  HA  ILE A  30       4.944   4.377  -0.613  1.00  0.00           H   new
ATOM      0  HB  ILE A  30       2.481   5.679  -1.827  1.00  0.00           H   new
ATOM      0 HG12 ILE A  30       3.913   3.058  -2.460  1.00  0.00           H   new
ATOM      0 HG13 ILE A  30       2.580   3.173  -1.327  1.00  0.00           H   new
ATOM      0 HG21 ILE A  30       3.653   5.624  -3.999  1.00  0.00           H   new
ATOM      0 HG22 ILE A  30       4.460   6.720  -2.853  1.00  0.00           H   new
ATOM      0 HG23 ILE A  30       5.149   5.112  -3.181  1.00  0.00           H   new
ATOM      0 HD11 ILE A  30       1.779   2.469  -3.553  1.00  0.00           H   new
ATOM      0 HD12 ILE A  30       1.109   4.061  -3.127  1.00  0.00           H   new
ATOM      0 HD13 ILE A  30       2.462   3.944  -4.277  1.00  0.00           H   new
ATOM    448  N   TRP A  31       4.201   7.567  -0.139  1.00  0.00           N
ATOM    449  CA  TRP A  31       4.803   8.874   0.162  1.00  0.00           C
ATOM    450  C   TRP A  31       5.873   8.788   1.268  1.00  0.00           C
ATOM    451  O   TRP A  31       6.858   9.526   1.241  1.00  0.00           O
ATOM    452  CB  TRP A  31       3.692   9.858   0.547  1.00  0.00           C
ATOM    453  CG  TRP A  31       2.825  10.335  -0.579  1.00  0.00           C
ATOM    454  CD1 TRP A  31       3.212  10.458  -1.868  1.00  0.00           C
ATOM    455  CD2 TRP A  31       1.425  10.764  -0.545  1.00  0.00           C
ATOM    456  NE1 TRP A  31       2.156  10.890  -2.634  1.00  0.00           N
ATOM    457  CE2 TRP A  31       1.025  11.099  -1.875  1.00  0.00           C
ATOM    458  CE3 TRP A  31       0.452  10.909   0.471  1.00  0.00           C
ATOM    459  CZ2 TRP A  31      -0.270  11.543  -2.183  1.00  0.00           C
ATOM    460  CZ3 TRP A  31      -0.852  11.353   0.173  1.00  0.00           C
ATOM    461  CH2 TRP A  31      -1.215  11.672  -1.149  1.00  0.00           C
ATOM      0  H   TRP A  31       3.182   7.563  -0.087  1.00  0.00           H   new
ATOM      0  HA  TRP A  31       5.317   9.228  -0.731  1.00  0.00           H   new
ATOM      0  HB2 TRP A  31       3.056   9.384   1.295  1.00  0.00           H   new
ATOM      0  HB3 TRP A  31       4.150  10.726   1.021  1.00  0.00           H   new
ATOM      0  HD1 TRP A  31       4.204  10.248  -2.241  1.00  0.00           H   new
ATOM      0  HE1 TRP A  31       2.204  11.038  -3.642  1.00  0.00           H   new
ATOM      0  HE3 TRP A  31       0.713  10.676   1.493  1.00  0.00           H   new
ATOM      0  HZ2 TRP A  31      -0.538  11.783  -3.201  1.00  0.00           H   new
ATOM      0  HZ3 TRP A  31      -1.579  11.449   0.966  1.00  0.00           H   new
ATOM      0  HH2 TRP A  31      -2.215  12.015  -1.369  1.00  0.00           H   new
ATOM    472  N   ALA A  32       5.739   7.836   2.197  1.00  0.00           N
ATOM    473  CA  ALA A  32       6.735   7.559   3.230  1.00  0.00           C
ATOM    474  C   ALA A  32       8.012   6.892   2.672  1.00  0.00           C
ATOM    475  O   ALA A  32       9.117   7.281   3.056  1.00  0.00           O
ATOM    476  CB  ALA A  32       6.081   6.703   4.320  1.00  0.00           C
ATOM      0  H   ALA A  32       4.922   7.228   2.251  1.00  0.00           H   new
ATOM      0  HA  ALA A  32       7.069   8.507   3.652  1.00  0.00           H   new
ATOM      0  HB1 ALA A  32       6.811   6.487   5.100  1.00  0.00           H   new
ATOM      0  HB2 ALA A  32       5.239   7.244   4.751  1.00  0.00           H   new
ATOM      0  HB3 ALA A  32       5.727   5.768   3.885  1.00  0.00           H   new
ATOM    482  N   HIS A  33       7.891   5.954   1.723  1.00  0.00           N
ATOM    483  CA  HIS A  33       9.038   5.395   0.989  1.00  0.00           C
ATOM    484  C   HIS A  33       9.734   6.450   0.106  1.00  0.00           C
ATOM    485  O   HIS A  33      10.959   6.447  -0.020  1.00  0.00           O
ATOM    486  CB  HIS A  33       8.597   4.208   0.123  1.00  0.00           C
ATOM    487  CG  HIS A  33       8.171   2.979   0.887  1.00  0.00           C
ATOM    488  ND1 HIS A  33       8.964   2.215   1.712  1.00  0.00           N
ATOM    489  CD2 HIS A  33       6.979   2.321   0.762  1.00  0.00           C
ATOM    490  CE1 HIS A  33       8.273   1.125   2.077  1.00  0.00           C
ATOM    491  NE2 HIS A  33       7.049   1.117   1.497  1.00  0.00           N
ATOM      0  H   HIS A  33       6.994   5.560   1.441  1.00  0.00           H   new
ATOM      0  HA  HIS A  33       9.757   5.056   1.735  1.00  0.00           H   new
ATOM      0  HB2 HIS A  33       7.769   4.528  -0.510  1.00  0.00           H   new
ATOM      0  HB3 HIS A  33       9.419   3.937  -0.540  1.00  0.00           H   new
ATOM      0  HD2 HIS A  33       6.126   2.665   0.196  1.00  0.00           H   new
ATOM      0  HE1 HIS A  33       8.642   0.359   2.742  1.00  0.00           H   new
ATOM      0  HE2 HIS A  33       6.332   0.396   1.574  1.00  0.00           H   new
ATOM    499  N   GLU A  34       8.972   7.395  -0.458  1.00  0.00           N
ATOM    500  CA  GLU A  34       9.496   8.560  -1.190  1.00  0.00           C
ATOM    501  C   GLU A  34      10.107   9.651  -0.277  1.00  0.00           C
ATOM    502  O   GLU A  34      10.685  10.621  -0.775  1.00  0.00           O
ATOM    503  CB  GLU A  34       8.396   9.156  -2.087  1.00  0.00           C
ATOM    504  CG  GLU A  34       8.001   8.226  -3.239  1.00  0.00           C
ATOM    505  CD  GLU A  34       7.075   8.957  -4.231  1.00  0.00           C
ATOM    506  OE1 GLU A  34       5.857   9.078  -3.957  1.00  0.00           O
ATOM    507  OE2 GLU A  34       7.564   9.434  -5.286  1.00  0.00           O
ATOM      0  H   GLU A  34       7.953   7.373  -0.419  1.00  0.00           H   new
ATOM      0  HA  GLU A  34      10.319   8.194  -1.804  1.00  0.00           H   new
ATOM      0  HB2 GLU A  34       7.516   9.370  -1.481  1.00  0.00           H   new
ATOM      0  HB3 GLU A  34       8.741  10.106  -2.495  1.00  0.00           H   new
ATOM      0  HG2 GLU A  34       8.895   7.878  -3.756  1.00  0.00           H   new
ATOM      0  HG3 GLU A  34       7.497   7.343  -2.845  1.00  0.00           H   new
ATOM    514  N   GLY A  35      10.013   9.507   1.053  1.00  0.00           N
ATOM    515  CA  GLY A  35      10.605  10.427   2.033  1.00  0.00           C
ATOM    516  C   GLY A  35       9.873  11.769   2.186  1.00  0.00           C
ATOM    517  O   GLY A  35      10.485  12.757   2.600  1.00  0.00           O
ATOM      0  H   GLY A  35       9.512   8.731   1.486  1.00  0.00           H   new
ATOM      0  HA2 GLY A  35      10.632   9.932   3.004  1.00  0.00           H   new
ATOM      0  HA3 GLY A  35      11.638  10.624   1.747  1.00  0.00           H   new