USER  MOD reduce.3.24.130724 H: found=0, std=0, add=226, rem=0, adj=13
USER  MOD reduce.3.24.130724 removed 227 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  32 TYR OH  :   rot  180:sc=       0
USER  MOD Set 1.2: A  34 GLN     :      amide:sc=   0.848  K(o=0.85,f=-0.96)
USER  MOD Set 2.1: A  24 THR OG1 :   rot  -52:sc=    1.66
USER  MOD Set 2.2: A  26 GLN     :      amide:sc=    0.41  K(o=2.1,f=0.15)
USER  MOD Set 3.1: A   2 GLN     :FLIP  amide:sc=  -0.641  F(o=-2.7!,f=-1.2)
USER  MOD Set 3.2: A   3 SER OG  :   rot  180:sc=   0.145
USER  MOD Set 3.3: A  13 TYR OH  :   rot   71:sc=  -0.729
USER  MOD Single : A   4 HIS     :     no HD1:sc=   -2.08  X(o=-2.1,f=-2!)
USER  MOD Single : A   5 TYR OH  :   rot  180:sc=       0
USER  MOD Single : A   7 GLN     :FLIP  amide:sc=  -0.556  F(o=-1.3,f=-0.56)
USER  MOD Single : A  14 SER OG  :   rot  180:sc=       0
USER  MOD Single : A  17 THR OG1 :   rot  180:sc=  0.0224
USER  MOD Single : A  21 SER OG  :   rot  180:sc=       0
USER  MOD Single : A  23 THR OG1 :   rot  -57:sc=  0.0496
USER  MOD Single : A  29 ASN     :      amide:sc=       0  X(o=0,f=-0.48)
USER  MOD Single : A  31 TYR OH  :   rot  180:sc=       0
USER  MOD Single : A  33 SER OG  :   rot   -8:sc=   -1.56
USER  MOD -----------------------------------------------------------------
ATOM     17  N   GLN A   2       0.661  -3.825  -6.474  1.00  0.00           N
ATOM     18  CA  GLN A   2       0.569  -4.512  -5.222  1.00  0.00           C
ATOM     19  C   GLN A   2      -0.777  -5.215  -5.095  1.00  0.00           C
ATOM     20  O   GLN A   2      -1.819  -4.681  -5.496  1.00  0.00           O
ATOM     21  CB  GLN A   2       0.782  -3.562  -4.049  1.00  0.00           C
ATOM     22  CG  GLN A   2       0.889  -4.314  -2.747  1.00  0.00           C
ATOM     23  CD  GLN A   2       2.119  -5.211  -2.695  1.00  0.00           C
ATOM     24  OE1 GLN A   2       1.941  -6.405  -2.217  1.00  0.00           O   flip
ATOM     25  NE2 GLN A   2       3.181  -4.876  -3.211  1.00  0.00           N   flip
ATOM      0  HA  GLN A   2       1.361  -5.260  -5.196  1.00  0.00           H   new
ATOM      0  HB2 GLN A   2       1.689  -2.979  -4.210  1.00  0.00           H   new
ATOM      0  HB3 GLN A   2      -0.046  -2.855  -3.996  1.00  0.00           H   new
ATOM      0  HG2 GLN A   2       0.926  -3.603  -1.922  1.00  0.00           H   new
ATOM      0  HG3 GLN A   2      -0.006  -4.920  -2.606  1.00  0.00           H   new
ATOM      0 HE21 GLN A   2       3.294  -3.931  -3.579  1.00  0.00           H   new
ATOM      0 HE22 GLN A   2       3.951  -5.542  -3.272  1.00  0.00           H   new
ATOM     34  N   SER A   3      -0.731  -6.404  -4.565  1.00  0.00           N
ATOM     35  CA  SER A   3      -1.872  -7.232  -4.343  1.00  0.00           C
ATOM     36  C   SER A   3      -2.714  -6.749  -3.145  1.00  0.00           C
ATOM     37  O   SER A   3      -2.267  -5.898  -2.341  1.00  0.00           O
ATOM     38  CB  SER A   3      -1.354  -8.643  -4.122  1.00  0.00           C
ATOM     39  OG  SER A   3      -0.190  -8.620  -3.283  1.00  0.00           O
ATOM      0  H   SER A   3       0.142  -6.837  -4.265  1.00  0.00           H   new
ATOM      0  HA  SER A   3      -2.539  -7.192  -5.204  1.00  0.00           H   new
ATOM      0  HB2 SER A   3      -2.130  -9.255  -3.662  1.00  0.00           H   new
ATOM      0  HB3 SER A   3      -1.111  -9.103  -5.080  1.00  0.00           H   new
ATOM      0  HG  SER A   3       0.133  -9.535  -3.147  1.00  0.00           H   new
ATOM     45  N   HIS A   4      -3.915  -7.299  -3.017  1.00  0.00           N
ATOM     46  CA  HIS A   4      -4.828  -6.934  -1.950  1.00  0.00           C
ATOM     47  C   HIS A   4      -4.220  -7.358  -0.614  1.00  0.00           C
ATOM     48  O   HIS A   4      -3.738  -8.478  -0.484  1.00  0.00           O
ATOM     49  CB  HIS A   4      -6.200  -7.613  -2.166  1.00  0.00           C
ATOM     50  CG  HIS A   4      -7.335  -7.063  -1.330  1.00  0.00           C
ATOM     51  ND1 HIS A   4      -8.598  -7.579  -1.347  1.00  0.00           N
ATOM     52  CD2 HIS A   4      -7.400  -5.984  -0.526  1.00  0.00           C
ATOM     53  CE1 HIS A   4      -9.392  -6.841  -0.601  1.00  0.00           C
ATOM     54  NE2 HIS A   4      -8.686  -5.861  -0.091  1.00  0.00           N
ATOM      0  H   HIS A   4      -4.280  -8.010  -3.651  1.00  0.00           H   new
ATOM      0  HA  HIS A   4      -4.984  -5.855  -1.949  1.00  0.00           H   new
ATOM      0  HB2 HIS A   4      -6.469  -7.523  -3.218  1.00  0.00           H   new
ATOM      0  HB3 HIS A   4      -6.097  -8.677  -1.953  1.00  0.00           H   new
ATOM      0  HD2 HIS A   4      -6.578  -5.331  -0.271  1.00  0.00           H   new
ATOM      0  HE1 HIS A   4     -10.445  -7.013  -0.437  1.00  0.00           H   new
ATOM      0  HE2 HIS A   4      -9.039  -5.130   0.527  1.00  0.00           H   new
ATOM     63  N   TYR A   5      -4.213  -6.430   0.341  1.00  0.00           N
ATOM     64  CA  TYR A   5      -3.654  -6.606   1.690  1.00  0.00           C
ATOM     65  C   TYR A   5      -2.139  -6.519   1.703  1.00  0.00           C
ATOM     66  O   TYR A   5      -1.506  -6.759   2.727  1.00  0.00           O
ATOM     67  CB  TYR A   5      -4.147  -7.880   2.406  1.00  0.00           C
ATOM     68  CG  TYR A   5      -5.621  -7.876   2.716  1.00  0.00           C
ATOM     69  CD1 TYR A   5      -6.119  -7.125   3.768  1.00  0.00           C
ATOM     70  CD2 TYR A   5      -6.513  -8.620   1.961  1.00  0.00           C
ATOM     71  CE1 TYR A   5      -7.464  -7.109   4.057  1.00  0.00           C
ATOM     72  CE2 TYR A   5      -7.861  -8.611   2.244  1.00  0.00           C
ATOM     73  CZ  TYR A   5      -8.330  -7.852   3.294  1.00  0.00           C
ATOM     74  OH  TYR A   5      -9.676  -7.825   3.575  1.00  0.00           O
ATOM      0  H   TYR A   5      -4.609  -5.501   0.197  1.00  0.00           H   new
ATOM      0  HA  TYR A   5      -4.041  -5.765   2.266  1.00  0.00           H   new
ATOM      0  HB2 TYR A   5      -3.919  -8.745   1.784  1.00  0.00           H   new
ATOM      0  HB3 TYR A   5      -3.591  -8.000   3.336  1.00  0.00           H   new
ATOM      0  HD1 TYR A   5      -5.440  -6.542   4.372  1.00  0.00           H   new
ATOM      0  HD2 TYR A   5      -6.146  -9.216   1.138  1.00  0.00           H   new
ATOM      0  HE1 TYR A   5      -7.836  -6.516   4.879  1.00  0.00           H   new
ATOM      0  HE2 TYR A   5      -8.546  -9.195   1.647  1.00  0.00           H   new
ATOM      0  HH  TYR A   5     -10.154  -8.403   2.944  1.00  0.00           H   new
ATOM     84  N   GLY A   6      -1.566  -6.127   0.601  1.00  0.00           N
ATOM     85  CA  GLY A   6      -0.146  -5.954   0.559  1.00  0.00           C
ATOM     86  C   GLY A   6       0.215  -4.512   0.792  1.00  0.00           C
ATOM     87  O   GLY A   6      -0.673  -3.644   0.791  1.00  0.00           O
ATOM      0  H   GLY A   6      -2.055  -5.924  -0.270  1.00  0.00           H   new
ATOM      0  HA2 GLY A   6       0.325  -6.580   1.316  1.00  0.00           H   new
ATOM      0  HA3 GLY A   6       0.238  -6.280  -0.408  1.00  0.00           H   new
ATOM     91  N   GLN A   7       1.482  -4.243   0.997  1.00  0.00           N
ATOM     92  CA  GLN A   7       1.933  -2.896   1.214  1.00  0.00           C
ATOM     93  C   GLN A   7       2.217  -2.215  -0.110  1.00  0.00           C
ATOM     94  O   GLN A   7       3.176  -2.573  -0.803  1.00  0.00           O
ATOM     95  CB  GLN A   7       3.191  -2.837   2.104  1.00  0.00           C
ATOM     96  CG  GLN A   7       3.635  -1.403   2.381  1.00  0.00           C
ATOM     97  CD  GLN A   7       4.907  -1.269   3.181  1.00  0.00           C
ATOM     98  OE1 GLN A   7       5.601  -0.191   2.954  1.00  0.00           O   flip
ATOM     99  NE2 GLN A   7       5.250  -2.109   4.005  1.00  0.00           N   flip
ATOM      0  H   GLN A   7       2.220  -4.946   1.017  1.00  0.00           H   new
ATOM      0  HA  GLN A   7       1.131  -2.373   1.735  1.00  0.00           H   new
ATOM      0  HB2 GLN A   7       2.990  -3.342   3.049  1.00  0.00           H   new
ATOM      0  HB3 GLN A   7       4.003  -3.380   1.619  1.00  0.00           H   new
ATOM      0  HG2 GLN A   7       3.768  -0.890   1.428  1.00  0.00           H   new
ATOM      0  HG3 GLN A   7       2.835  -0.888   2.912  1.00  0.00           H   new
ATOM      0 HE21 GLN A   7       4.678  -2.941   4.154  1.00  0.00           H   new
ATOM      0 HE22 GLN A   7       6.107  -1.976   4.542  1.00  0.00           H   new
ATOM    108  N   CYS A   8       1.372  -1.264  -0.466  1.00  0.00           N
ATOM    109  CA  CYS A   8       1.580  -0.447  -1.654  1.00  0.00           C
ATOM    110  C   CYS A   8       2.715   0.492  -1.422  1.00  0.00           C
ATOM    111  O   CYS A   8       3.464   0.817  -2.319  1.00  0.00           O
ATOM    112  CB  CYS A   8       0.336   0.341  -2.005  1.00  0.00           C
ATOM    113  SG  CYS A   8      -0.509   1.088  -0.580  1.00  0.00           S
ATOM      0  H   CYS A   8       0.526  -1.035   0.055  1.00  0.00           H   new
ATOM      0  HA  CYS A   8       1.809  -1.111  -2.487  1.00  0.00           H   new
ATOM      0  HB2 CYS A   8       0.607   1.131  -2.706  1.00  0.00           H   new
ATOM      0  HB3 CYS A   8      -0.362  -0.318  -2.521  1.00  0.00           H   new
ATOM    118  N   GLY A   9       2.837   0.949  -0.213  1.00  0.00           N
ATOM    119  CA  GLY A   9       3.952   1.735   0.085  1.00  0.00           C
ATOM    120  C   GLY A   9       3.649   3.091   0.577  1.00  0.00           C
ATOM    121  O   GLY A   9       2.781   3.798   0.058  1.00  0.00           O
ATOM      0  H   GLY A   9       2.185   0.786   0.554  1.00  0.00           H   new
ATOM      0  HA2 GLY A   9       4.551   1.219   0.835  1.00  0.00           H   new
ATOM      0  HA3 GLY A   9       4.567   1.820  -0.811  1.00  0.00           H   new
ATOM    125  N   GLY A  10       4.330   3.422   1.606  1.00  0.00           N
ATOM    126  CA  GLY A  10       4.309   4.709   2.159  1.00  0.00           C
ATOM    127  C   GLY A  10       5.593   5.379   1.763  1.00  0.00           C
ATOM    128  O   GLY A  10       6.209   4.992   0.751  1.00  0.00           O
ATOM      0  H   GLY A  10       4.941   2.773   2.103  1.00  0.00           H   new
ATOM      0  HA2 GLY A  10       3.451   5.272   1.792  1.00  0.00           H   new
ATOM      0  HA3 GLY A  10       4.218   4.661   3.244  1.00  0.00           H   new
ATOM    132  N   ILE A  11       6.001   6.350   2.519  1.00  0.00           N
ATOM    133  CA  ILE A  11       7.270   7.017   2.311  1.00  0.00           C
ATOM    134  C   ILE A  11       8.395   5.965   2.359  1.00  0.00           C
ATOM    135  O   ILE A  11       8.409   5.096   3.241  1.00  0.00           O
ATOM    136  CB  ILE A  11       7.519   8.074   3.424  1.00  0.00           C
ATOM    137  CG1 ILE A  11       6.359   9.082   3.476  1.00  0.00           C
ATOM    138  CG2 ILE A  11       8.844   8.796   3.190  1.00  0.00           C
ATOM    139  CD1 ILE A  11       6.452  10.076   4.616  1.00  0.00           C
ATOM      0  H   ILE A  11       5.466   6.713   3.308  1.00  0.00           H   new
ATOM      0  HA  ILE A  11       7.255   7.520   1.344  1.00  0.00           H   new
ATOM      0  HB  ILE A  11       7.573   7.559   4.383  1.00  0.00           H   new
ATOM      0 HG12 ILE A  11       6.325   9.629   2.534  1.00  0.00           H   new
ATOM      0 HG13 ILE A  11       5.420   8.535   3.561  1.00  0.00           H   new
ATOM      0 HG21 ILE A  11       9.002   9.532   3.978  1.00  0.00           H   new
ATOM      0 HG22 ILE A  11       9.659   8.073   3.201  1.00  0.00           H   new
ATOM      0 HG23 ILE A  11       8.818   9.300   2.224  1.00  0.00           H   new
ATOM      0 HD11 ILE A  11       5.597  10.751   4.581  1.00  0.00           H   new
ATOM      0 HD12 ILE A  11       6.454   9.541   5.566  1.00  0.00           H   new
ATOM      0 HD13 ILE A  11       7.373  10.652   4.522  1.00  0.00           H   new
ATOM    151  N   GLY A  12       9.277   5.994   1.394  1.00  0.00           N
ATOM    152  CA  GLY A  12      10.373   5.059   1.385  1.00  0.00           C
ATOM    153  C   GLY A  12      10.120   3.885   0.473  1.00  0.00           C
ATOM    154  O   GLY A  12      11.023   3.094   0.195  1.00  0.00           O
ATOM      0  H   GLY A  12       9.260   6.648   0.611  1.00  0.00           H   new
ATOM      0  HA2 GLY A  12      11.282   5.572   1.069  1.00  0.00           H   new
ATOM      0  HA3 GLY A  12      10.547   4.697   2.398  1.00  0.00           H   new
ATOM    158  N   TYR A  13       8.910   3.759   0.019  1.00  0.00           N
ATOM    159  CA  TYR A  13       8.539   2.671  -0.837  1.00  0.00           C
ATOM    160  C   TYR A  13       8.197   3.240  -2.198  1.00  0.00           C
ATOM    161  O   TYR A  13       7.263   4.024  -2.328  1.00  0.00           O
ATOM    162  CB  TYR A  13       7.338   1.941  -0.222  1.00  0.00           C
ATOM    163  CG  TYR A  13       6.929   0.616  -0.866  1.00  0.00           C
ATOM    164  CD1 TYR A  13       6.878  -0.545  -0.113  1.00  0.00           C
ATOM    165  CD2 TYR A  13       6.572   0.536  -2.203  1.00  0.00           C
ATOM    166  CE1 TYR A  13       6.478  -1.741  -0.672  1.00  0.00           C
ATOM    167  CE2 TYR A  13       6.180  -0.650  -2.766  1.00  0.00           C
ATOM    168  CZ  TYR A  13       6.129  -1.783  -2.002  1.00  0.00           C
ATOM    169  OH  TYR A  13       5.737  -2.973  -2.577  1.00  0.00           O
ATOM      0  H   TYR A  13       8.151   4.407   0.231  1.00  0.00           H   new
ATOM      0  HA  TYR A  13       9.354   1.955  -0.945  1.00  0.00           H   new
ATOM      0  HB2 TYR A  13       7.557   1.754   0.829  1.00  0.00           H   new
ATOM      0  HB3 TYR A  13       6.480   2.613  -0.254  1.00  0.00           H   new
ATOM      0  HD1 TYR A  13       7.156  -0.514   0.930  1.00  0.00           H   new
ATOM      0  HD2 TYR A  13       6.603   1.427  -2.813  1.00  0.00           H   new
ATOM      0  HE1 TYR A  13       6.439  -2.637  -0.070  1.00  0.00           H   new
ATOM      0  HE2 TYR A  13       5.912  -0.690  -3.811  1.00  0.00           H   new
ATOM      0  HH  TYR A  13       4.856  -3.229  -2.232  1.00  0.00           H   new
ATOM    179  N   SER A  14       8.946   2.863  -3.191  1.00  0.00           N
ATOM    180  CA  SER A  14       8.730   3.349  -4.529  1.00  0.00           C
ATOM    181  C   SER A  14       8.585   2.211  -5.553  1.00  0.00           C
ATOM    182  O   SER A  14       8.717   2.417  -6.760  1.00  0.00           O
ATOM    183  CB  SER A  14       9.826   4.351  -4.888  1.00  0.00           C
ATOM    184  OG  SER A  14      11.061   4.004  -4.265  1.00  0.00           O
ATOM      0  H   SER A  14       9.725   2.210  -3.101  1.00  0.00           H   new
ATOM      0  HA  SER A  14       7.774   3.871  -4.564  1.00  0.00           H   new
ATOM      0  HB2 SER A  14       9.956   4.381  -5.970  1.00  0.00           H   new
ATOM      0  HB3 SER A  14       9.526   5.351  -4.576  1.00  0.00           H   new
ATOM      0  HG  SER A  14      11.747   4.659  -4.511  1.00  0.00           H   new
ATOM    190  N   GLY A  15       8.276   1.031  -5.065  1.00  0.00           N
ATOM    191  CA  GLY A  15       8.000  -0.095  -5.939  1.00  0.00           C
ATOM    192  C   GLY A  15       6.546  -0.090  -6.381  1.00  0.00           C
ATOM    193  O   GLY A  15       6.064   0.938  -6.888  1.00  0.00           O
ATOM      0  H   GLY A  15       8.209   0.822  -4.069  1.00  0.00           H   new
ATOM      0  HA2 GLY A  15       8.651  -0.051  -6.812  1.00  0.00           H   new
ATOM      0  HA3 GLY A  15       8.224  -1.027  -5.421  1.00  0.00           H   new
ATOM    197  N   PRO A  16       5.822  -1.211  -6.227  1.00  0.00           N
ATOM    198  CA  PRO A  16       4.384  -1.289  -6.530  1.00  0.00           C
ATOM    199  C   PRO A  16       3.529  -0.414  -5.599  1.00  0.00           C
ATOM    200  O   PRO A  16       2.942  -0.898  -4.638  1.00  0.00           O
ATOM    201  CB  PRO A  16       4.039  -2.769  -6.307  1.00  0.00           C
ATOM    202  CG  PRO A  16       5.339  -3.472  -6.376  1.00  0.00           C
ATOM    203  CD  PRO A  16       6.345  -2.521  -5.804  1.00  0.00           C
ATOM      0  HA  PRO A  16       4.177  -0.929  -7.538  1.00  0.00           H   new
ATOM      0  HB2 PRO A  16       3.557  -2.922  -5.342  1.00  0.00           H   new
ATOM      0  HB3 PRO A  16       3.350  -3.134  -7.069  1.00  0.00           H   new
ATOM      0  HG2 PRO A  16       5.312  -4.402  -5.808  1.00  0.00           H   new
ATOM      0  HG3 PRO A  16       5.588  -3.734  -7.404  1.00  0.00           H   new
ATOM      0  HD2 PRO A  16       6.408  -2.601  -4.719  1.00  0.00           H   new
ATOM      0  HD3 PRO A  16       7.345  -2.704  -6.196  1.00  0.00           H   new
ATOM    211  N   THR A  17       3.496   0.867  -5.885  1.00  0.00           N
ATOM    212  CA  THR A  17       2.723   1.810  -5.113  1.00  0.00           C
ATOM    213  C   THR A  17       1.291   1.842  -5.619  1.00  0.00           C
ATOM    214  O   THR A  17       0.368   2.310  -4.939  1.00  0.00           O
ATOM    215  CB  THR A  17       3.369   3.215  -5.158  1.00  0.00           C
ATOM    216  OG1 THR A  17       3.708   3.563  -6.519  1.00  0.00           O
ATOM    217  CG2 THR A  17       4.624   3.261  -4.302  1.00  0.00           C
ATOM      0  H   THR A  17       4.007   1.285  -6.663  1.00  0.00           H   new
ATOM      0  HA  THR A  17       2.711   1.490  -4.071  1.00  0.00           H   new
ATOM      0  HB  THR A  17       2.647   3.931  -4.765  1.00  0.00           H   new
ATOM      0  HG1 THR A  17       4.115   4.454  -6.537  1.00  0.00           H   new
ATOM      0 HG21 THR A  17       5.060   4.259  -4.349  1.00  0.00           H   new
ATOM      0 HG22 THR A  17       4.369   3.025  -3.269  1.00  0.00           H   new
ATOM      0 HG23 THR A  17       5.344   2.532  -4.673  1.00  0.00           H   new
ATOM    225  N   VAL A  18       1.117   1.344  -6.818  1.00  0.00           N
ATOM    226  CA  VAL A  18      -0.178   1.209  -7.422  1.00  0.00           C
ATOM    227  C   VAL A  18      -0.723  -0.159  -7.046  1.00  0.00           C
ATOM    228  O   VAL A  18      -0.021  -1.178  -7.185  1.00  0.00           O
ATOM    229  CB  VAL A  18      -0.082   1.341  -8.966  1.00  0.00           C
ATOM    230  CG1 VAL A  18      -1.445   1.180  -9.633  1.00  0.00           C
ATOM    231  CG2 VAL A  18       0.538   2.679  -9.341  1.00  0.00           C
ATOM      0  H   VAL A  18       1.883   1.018  -7.407  1.00  0.00           H   new
ATOM      0  HA  VAL A  18      -0.840   1.998  -7.065  1.00  0.00           H   new
ATOM      0  HB  VAL A  18       0.558   0.536  -9.329  1.00  0.00           H   new
ATOM      0 HG11 VAL A  18      -1.336   1.279 -10.713  1.00  0.00           H   new
ATOM      0 HG12 VAL A  18      -1.851   0.196  -9.398  1.00  0.00           H   new
ATOM      0 HG13 VAL A  18      -2.123   1.950  -9.265  1.00  0.00           H   new
ATOM      0 HG21 VAL A  18       0.600   2.760 -10.426  1.00  0.00           H   new
ATOM      0 HG22 VAL A  18      -0.080   3.488  -8.952  1.00  0.00           H   new
ATOM      0 HG23 VAL A  18       1.539   2.749  -8.914  1.00  0.00           H   new
ATOM    241  N   CYS A  19      -1.921  -0.190  -6.554  1.00  0.00           N
ATOM    242  CA  CYS A  19      -2.527  -1.420  -6.129  1.00  0.00           C
ATOM    243  C   CYS A  19      -3.314  -2.042  -7.263  1.00  0.00           C
ATOM    244  O   CYS A  19      -3.500  -1.421  -8.323  1.00  0.00           O
ATOM    245  CB  CYS A  19      -3.449  -1.159  -4.940  1.00  0.00           C
ATOM    246  SG  CYS A  19      -2.619  -0.427  -3.501  1.00  0.00           S
ATOM      0  H   CYS A  19      -2.510   0.634  -6.434  1.00  0.00           H   new
ATOM      0  HA  CYS A  19      -1.740  -2.112  -5.830  1.00  0.00           H   new
ATOM      0  HB2 CYS A  19      -4.254  -0.496  -5.257  1.00  0.00           H   new
ATOM      0  HB3 CYS A  19      -3.911  -2.099  -4.639  1.00  0.00           H   new
ATOM    251  N   ALA A  20      -3.716  -3.281  -7.067  1.00  0.00           N
ATOM    252  CA  ALA A  20      -4.578  -3.969  -7.999  1.00  0.00           C
ATOM    253  C   ALA A  20      -5.905  -3.224  -8.093  1.00  0.00           C
ATOM    254  O   ALA A  20      -6.367  -2.646  -7.085  1.00  0.00           O
ATOM    255  CB  ALA A  20      -4.808  -5.402  -7.545  1.00  0.00           C
ATOM      0  H   ALA A  20      -3.452  -3.838  -6.254  1.00  0.00           H   new
ATOM      0  HA  ALA A  20      -4.105  -3.994  -8.981  1.00  0.00           H   new
ATOM      0  HB1 ALA A  20      -5.460  -5.909  -8.257  1.00  0.00           H   new
ATOM      0  HB2 ALA A  20      -3.853  -5.924  -7.491  1.00  0.00           H   new
ATOM      0  HB3 ALA A  20      -5.277  -5.401  -6.561  1.00  0.00           H   new
ATOM    261  N   SER A  21      -6.495  -3.220  -9.276  1.00  0.00           N
ATOM    262  CA  SER A  21      -7.739  -2.522  -9.533  1.00  0.00           C
ATOM    263  C   SER A  21      -8.799  -2.923  -8.509  1.00  0.00           C
ATOM    264  O   SER A  21      -9.046  -4.113  -8.285  1.00  0.00           O
ATOM    265  CB  SER A  21      -8.222  -2.822 -10.968  1.00  0.00           C
ATOM    266  OG  SER A  21      -9.415  -2.106 -11.297  1.00  0.00           O
ATOM      0  H   SER A  21      -6.120  -3.706 -10.091  1.00  0.00           H   new
ATOM      0  HA  SER A  21      -7.569  -1.449  -9.439  1.00  0.00           H   new
ATOM      0  HB2 SER A  21      -7.436  -2.560 -11.676  1.00  0.00           H   new
ATOM      0  HB3 SER A  21      -8.402  -3.892 -11.073  1.00  0.00           H   new
ATOM      0  HG  SER A  21      -9.685  -2.323 -12.214  1.00  0.00           H   new
ATOM    272  N   GLY A  22      -9.347  -1.936  -7.844  1.00  0.00           N
ATOM    273  CA  GLY A  22     -10.366  -2.182  -6.872  1.00  0.00           C
ATOM    274  C   GLY A  22      -9.865  -1.974  -5.472  1.00  0.00           C
ATOM    275  O   GLY A  22     -10.631  -1.632  -4.579  1.00  0.00           O
ATOM      0  H   GLY A  22      -9.099  -0.954  -7.964  1.00  0.00           H   new
ATOM      0  HA2 GLY A  22     -11.212  -1.520  -7.057  1.00  0.00           H   new
ATOM      0  HA3 GLY A  22     -10.731  -3.203  -6.979  1.00  0.00           H   new
ATOM    279  N   THR A  23      -8.582  -2.144  -5.271  1.00  0.00           N
ATOM    280  CA  THR A  23      -8.031  -1.974  -3.956  1.00  0.00           C
ATOM    281  C   THR A  23      -7.435  -0.582  -3.818  1.00  0.00           C
ATOM    282  O   THR A  23      -6.847  -0.048  -4.770  1.00  0.00           O
ATOM    283  CB  THR A  23      -6.993  -3.077  -3.603  1.00  0.00           C
ATOM    284  OG1 THR A  23      -5.883  -3.056  -4.503  1.00  0.00           O
ATOM    285  CG2 THR A  23      -7.639  -4.442  -3.676  1.00  0.00           C
ATOM      0  H   THR A  23      -7.909  -2.397  -5.994  1.00  0.00           H   new
ATOM      0  HA  THR A  23      -8.843  -2.080  -3.237  1.00  0.00           H   new
ATOM      0  HB  THR A  23      -6.638  -2.877  -2.592  1.00  0.00           H   new
ATOM      0  HG1 THR A  23      -6.206  -3.155  -5.423  1.00  0.00           H   new
ATOM      0 HG21 THR A  23      -6.903  -5.207  -3.427  1.00  0.00           H   new
ATOM      0 HG22 THR A  23      -8.467  -4.491  -2.969  1.00  0.00           H   new
ATOM      0 HG23 THR A  23      -8.013  -4.614  -4.685  1.00  0.00           H   new
ATOM    293  N   THR A  24      -7.620   0.012  -2.676  1.00  0.00           N
ATOM    294  CA  THR A  24      -7.151   1.350  -2.420  1.00  0.00           C
ATOM    295  C   THR A  24      -5.870   1.338  -1.627  1.00  0.00           C
ATOM    296  O   THR A  24      -5.757   0.600  -0.648  1.00  0.00           O
ATOM    297  CB  THR A  24      -8.219   2.174  -1.655  1.00  0.00           C
ATOM    298  OG1 THR A  24      -8.752   1.432  -0.526  1.00  0.00           O
ATOM    299  CG2 THR A  24      -9.341   2.583  -2.569  1.00  0.00           C
ATOM      0  H   THR A  24      -8.104  -0.418  -1.888  1.00  0.00           H   new
ATOM      0  HA  THR A  24      -6.963   1.816  -3.387  1.00  0.00           H   new
ATOM      0  HB  THR A  24      -7.725   3.070  -1.278  1.00  0.00           H   new
ATOM      0  HG1 THR A  24      -9.050   0.548  -0.827  1.00  0.00           H   new
ATOM      0 HG21 THR A  24     -10.076   3.159  -2.007  1.00  0.00           H   new
ATOM      0 HG22 THR A  24      -8.945   3.193  -3.381  1.00  0.00           H   new
ATOM      0 HG23 THR A  24      -9.816   1.693  -2.982  1.00  0.00           H   new
ATOM    307  N   CYS A  25      -4.903   2.123  -2.040  1.00  0.00           N
ATOM    308  CA  CYS A  25      -3.692   2.253  -1.279  1.00  0.00           C
ATOM    309  C   CYS A  25      -3.955   3.230  -0.164  1.00  0.00           C
ATOM    310  O   CYS A  25      -4.128   4.425  -0.401  1.00  0.00           O
ATOM    311  CB  CYS A  25      -2.516   2.730  -2.146  1.00  0.00           C
ATOM    312  SG  CYS A  25      -0.952   2.954  -1.225  1.00  0.00           S
ATOM      0  H   CYS A  25      -4.935   2.677  -2.896  1.00  0.00           H   new
ATOM      0  HA  CYS A  25      -3.408   1.278  -0.882  1.00  0.00           H   new
ATOM      0  HB2 CYS A  25      -2.353   2.009  -2.947  1.00  0.00           H   new
ATOM      0  HB3 CYS A  25      -2.786   3.675  -2.618  1.00  0.00           H   new
ATOM    317  N   GLN A  26      -4.058   2.730   1.023  1.00  0.00           N
ATOM    318  CA  GLN A  26      -4.329   3.553   2.157  1.00  0.00           C
ATOM    319  C   GLN A  26      -3.095   3.646   3.009  1.00  0.00           C
ATOM    320  O   GLN A  26      -2.593   2.625   3.503  1.00  0.00           O
ATOM    321  CB  GLN A  26      -5.502   2.989   2.949  1.00  0.00           C
ATOM    322  CG  GLN A  26      -6.778   2.876   2.127  1.00  0.00           C
ATOM    323  CD  GLN A  26      -7.929   2.291   2.899  1.00  0.00           C
ATOM    324  OE1 GLN A  26      -8.034   2.456   4.109  1.00  0.00           O
ATOM    325  NE2 GLN A  26      -8.798   1.607   2.219  1.00  0.00           N
ATOM      0  H   GLN A  26      -3.957   1.738   1.235  1.00  0.00           H   new
ATOM      0  HA  GLN A  26      -4.602   4.555   1.826  1.00  0.00           H   new
ATOM      0  HB2 GLN A  26      -5.235   2.004   3.331  1.00  0.00           H   new
ATOM      0  HB3 GLN A  26      -5.689   3.626   3.813  1.00  0.00           H   new
ATOM      0  HG2 GLN A  26      -7.058   3.865   1.764  1.00  0.00           H   new
ATOM      0  HG3 GLN A  26      -6.585   2.257   1.251  1.00  0.00           H   new
ATOM      0 HE21 GLN A  26      -8.680   1.489   1.213  1.00  0.00           H   new
ATOM      0 HE22 GLN A  26      -9.599   1.187   2.691  1.00  0.00           H   new
ATOM    334  N   VAL A  27      -2.575   4.847   3.138  1.00  0.00           N
ATOM    335  CA  VAL A  27      -1.395   5.092   3.932  1.00  0.00           C
ATOM    336  C   VAL A  27      -1.791   5.036   5.410  1.00  0.00           C
ATOM    337  O   VAL A  27      -2.447   5.946   5.936  1.00  0.00           O
ATOM    338  CB  VAL A  27      -0.732   6.459   3.562  1.00  0.00           C
ATOM    339  CG1 VAL A  27       0.554   6.686   4.327  1.00  0.00           C
ATOM    340  CG2 VAL A  27      -0.483   6.553   2.056  1.00  0.00           C
ATOM      0  H   VAL A  27      -2.960   5.681   2.694  1.00  0.00           H   new
ATOM      0  HA  VAL A  27      -0.647   4.326   3.727  1.00  0.00           H   new
ATOM      0  HB  VAL A  27      -1.430   7.245   3.850  1.00  0.00           H   new
ATOM      0 HG11 VAL A  27       0.983   7.646   4.041  1.00  0.00           H   new
ATOM      0 HG12 VAL A  27       0.346   6.686   5.397  1.00  0.00           H   new
ATOM      0 HG13 VAL A  27       1.261   5.889   4.095  1.00  0.00           H   new
ATOM      0 HG21 VAL A  27      -0.021   7.512   1.823  1.00  0.00           H   new
ATOM      0 HG22 VAL A  27       0.181   5.746   1.746  1.00  0.00           H   new
ATOM      0 HG23 VAL A  27      -1.431   6.468   1.524  1.00  0.00           H   new
ATOM    350  N   LEU A  28      -1.457   3.940   6.038  1.00  0.00           N
ATOM    351  CA  LEU A  28      -1.845   3.658   7.411  1.00  0.00           C
ATOM    352  C   LEU A  28      -0.836   4.263   8.359  1.00  0.00           C
ATOM    353  O   LEU A  28      -1.182   4.955   9.317  1.00  0.00           O
ATOM    354  CB  LEU A  28      -1.931   2.146   7.606  1.00  0.00           C
ATOM    355  CG  LEU A  28      -2.901   1.409   6.671  1.00  0.00           C
ATOM    356  CD1 LEU A  28      -2.865  -0.078   6.914  1.00  0.00           C
ATOM    357  CD2 LEU A  28      -4.306   1.925   6.841  1.00  0.00           C
ATOM      0  H   LEU A  28      -0.899   3.201   5.611  1.00  0.00           H   new
ATOM      0  HA  LEU A  28      -2.820   4.098   7.621  1.00  0.00           H   new
ATOM      0  HB2 LEU A  28      -0.935   1.724   7.473  1.00  0.00           H   new
ATOM      0  HB3 LEU A  28      -2.226   1.947   8.636  1.00  0.00           H   new
ATOM      0  HG  LEU A  28      -2.580   1.599   5.647  1.00  0.00           H   new
ATOM      0 HD11 LEU A  28      -3.562  -0.574   6.238  1.00  0.00           H   new
ATOM      0 HD12 LEU A  28      -1.857  -0.452   6.735  1.00  0.00           H   new
ATOM      0 HD13 LEU A  28      -3.151  -0.285   7.945  1.00  0.00           H   new
ATOM      0 HD21 LEU A  28      -4.975   1.388   6.168  1.00  0.00           H   new
ATOM      0 HD22 LEU A  28      -4.628   1.772   7.871  1.00  0.00           H   new
ATOM      0 HD23 LEU A  28      -4.334   2.989   6.607  1.00  0.00           H   new
ATOM    369  N   ASN A  29       0.395   4.017   8.072  1.00  0.00           N
ATOM    370  CA  ASN A  29       1.508   4.603   8.778  1.00  0.00           C
ATOM    371  C   ASN A  29       2.216   5.373   7.716  1.00  0.00           C
ATOM    372  O   ASN A  29       1.957   5.100   6.557  1.00  0.00           O
ATOM    373  CB  ASN A  29       2.448   3.525   9.371  1.00  0.00           C
ATOM    374  CG  ASN A  29       1.776   2.615  10.378  1.00  0.00           C
ATOM    375  OD1 ASN A  29       0.823   2.996  11.038  1.00  0.00           O
ATOM    376  ND2 ASN A  29       2.281   1.416  10.522  1.00  0.00           N
ATOM      0  H   ASN A  29       0.675   3.387   7.321  1.00  0.00           H   new
ATOM      0  HA  ASN A  29       1.187   5.209   9.625  1.00  0.00           H   new
ATOM      0  HB2 ASN A  29       2.849   2.919   8.558  1.00  0.00           H   new
ATOM      0  HB3 ASN A  29       3.295   4.018   9.849  1.00  0.00           H   new
ATOM      0 HD21 ASN A  29       1.877   0.771  11.201  1.00  0.00           H   new
ATOM      0 HD22 ASN A  29       3.078   1.127   9.955  1.00  0.00           H   new
ATOM    383  N   PRO A  30       3.139   6.302   8.021  1.00  0.00           N
ATOM    384  CA  PRO A  30       3.755   7.119   6.972  1.00  0.00           C
ATOM    385  C   PRO A  30       4.505   6.267   5.968  1.00  0.00           C
ATOM    386  O   PRO A  30       4.604   6.610   4.803  1.00  0.00           O
ATOM    387  CB  PRO A  30       4.748   8.005   7.707  1.00  0.00           C
ATOM    388  CG  PRO A  30       4.337   7.963   9.145  1.00  0.00           C
ATOM    389  CD  PRO A  30       3.671   6.635   9.359  1.00  0.00           C
ATOM      0  HA  PRO A  30       3.001   7.676   6.416  1.00  0.00           H   new
ATOM      0  HB2 PRO A  30       5.767   7.641   7.580  1.00  0.00           H   new
ATOM      0  HB3 PRO A  30       4.724   9.024   7.322  1.00  0.00           H   new
ATOM      0  HG2 PRO A  30       5.202   8.073   9.799  1.00  0.00           H   new
ATOM      0  HG3 PRO A  30       3.655   8.781   9.378  1.00  0.00           H   new
ATOM      0  HD2 PRO A  30       4.377   5.883   9.710  1.00  0.00           H   new
ATOM      0  HD3 PRO A  30       2.877   6.698  10.103  1.00  0.00           H   new
ATOM    397  N   TYR A  31       5.009   5.139   6.435  1.00  0.00           N
ATOM    398  CA  TYR A  31       5.793   4.261   5.605  1.00  0.00           C
ATOM    399  C   TYR A  31       4.989   3.015   5.211  1.00  0.00           C
ATOM    400  O   TYR A  31       5.252   2.402   4.176  1.00  0.00           O
ATOM    401  CB  TYR A  31       7.053   3.845   6.371  1.00  0.00           C
ATOM    402  CG  TYR A  31       7.833   5.017   6.946  1.00  0.00           C
ATOM    403  CD1 TYR A  31       7.628   5.431   8.255  1.00  0.00           C
ATOM    404  CD2 TYR A  31       8.763   5.707   6.185  1.00  0.00           C
ATOM    405  CE1 TYR A  31       8.324   6.494   8.781  1.00  0.00           C
ATOM    406  CE2 TYR A  31       9.464   6.773   6.707  1.00  0.00           C
ATOM    407  CZ  TYR A  31       9.240   7.160   8.007  1.00  0.00           C
ATOM    408  OH  TYR A  31       9.930   8.228   8.535  1.00  0.00           O
ATOM      0  H   TYR A  31       4.884   4.813   7.393  1.00  0.00           H   new
ATOM      0  HA  TYR A  31       6.067   4.789   4.692  1.00  0.00           H   new
ATOM      0  HB2 TYR A  31       6.770   3.175   7.183  1.00  0.00           H   new
ATOM      0  HB3 TYR A  31       7.703   3.280   5.704  1.00  0.00           H   new
ATOM      0  HD1 TYR A  31       6.910   4.910   8.871  1.00  0.00           H   new
ATOM      0  HD2 TYR A  31       8.942   5.404   5.164  1.00  0.00           H   new
ATOM      0  HE1 TYR A  31       8.150   6.804   9.801  1.00  0.00           H   new
ATOM      0  HE2 TYR A  31      10.184   7.300   6.099  1.00  0.00           H   new
ATOM      0  HH  TYR A  31      10.541   8.589   7.859  1.00  0.00           H   new
ATOM    418  N   TYR A  32       3.986   2.666   6.006  1.00  0.00           N
ATOM    419  CA  TYR A  32       3.172   1.496   5.716  1.00  0.00           C
ATOM    420  C   TYR A  32       1.837   1.892   5.131  1.00  0.00           C
ATOM    421  O   TYR A  32       0.993   2.474   5.809  1.00  0.00           O
ATOM    422  CB  TYR A  32       2.964   0.620   6.963  1.00  0.00           C
ATOM    423  CG  TYR A  32       2.166  -0.659   6.716  1.00  0.00           C
ATOM    424  CD1 TYR A  32       0.832  -0.786   7.125  1.00  0.00           C
ATOM    425  CD2 TYR A  32       2.753  -1.746   6.086  1.00  0.00           C
ATOM    426  CE1 TYR A  32       0.132  -1.960   6.906  1.00  0.00           C
ATOM    427  CE2 TYR A  32       2.051  -2.914   5.864  1.00  0.00           C
ATOM    428  CZ  TYR A  32       0.744  -3.015   6.277  1.00  0.00           C
ATOM    429  OH  TYR A  32       0.041  -4.186   6.062  1.00  0.00           O
ATOM      0  H   TYR A  32       3.719   3.173   6.850  1.00  0.00           H   new
ATOM      0  HA  TYR A  32       3.716   0.907   4.978  1.00  0.00           H   new
ATOM      0  HB2 TYR A  32       3.939   0.351   7.369  1.00  0.00           H   new
ATOM      0  HB3 TYR A  32       2.453   1.210   7.724  1.00  0.00           H   new
ATOM      0  HD1 TYR A  32       0.344   0.042   7.617  1.00  0.00           H   new
ATOM      0  HD2 TYR A  32       3.781  -1.677   5.762  1.00  0.00           H   new
ATOM      0  HE1 TYR A  32      -0.895  -2.046   7.230  1.00  0.00           H   new
ATOM      0  HE2 TYR A  32       2.528  -3.746   5.367  1.00  0.00           H   new
ATOM      0  HH  TYR A  32       0.617  -4.834   5.605  1.00  0.00           H   new
ATOM    439  N   SER A  33       1.637   1.541   3.920  1.00  0.00           N
ATOM    440  CA  SER A  33       0.404   1.777   3.254  1.00  0.00           C
ATOM    441  C   SER A  33      -0.061   0.449   2.741  1.00  0.00           C
ATOM    442  O   SER A  33       0.753  -0.321   2.252  1.00  0.00           O
ATOM    443  CB  SER A  33       0.628   2.742   2.111  1.00  0.00           C
ATOM    444  OG  SER A  33       1.268   3.907   2.566  1.00  0.00           O
ATOM      0  H   SER A  33       2.337   1.071   3.346  1.00  0.00           H   new
ATOM      0  HA  SER A  33      -0.341   2.215   3.919  1.00  0.00           H   new
ATOM      0  HB2 SER A  33       1.233   2.266   1.339  1.00  0.00           H   new
ATOM      0  HB3 SER A  33      -0.327   3.000   1.653  1.00  0.00           H   new
ATOM      0  HG  SER A  33       1.313   3.895   3.545  1.00  0.00           H   new
ATOM    450  N   GLN A  34      -1.311   0.159   2.858  1.00  0.00           N
ATOM    451  CA  GLN A  34      -1.791  -1.137   2.472  1.00  0.00           C
ATOM    452  C   GLN A  34      -2.881  -0.995   1.428  1.00  0.00           C
ATOM    453  O   GLN A  34      -3.587   0.012   1.403  1.00  0.00           O
ATOM    454  CB  GLN A  34      -2.288  -1.886   3.711  1.00  0.00           C
ATOM    455  CG  GLN A  34      -2.649  -3.340   3.481  1.00  0.00           C
ATOM    456  CD  GLN A  34      -3.074  -4.034   4.749  1.00  0.00           C
ATOM    457  OE1 GLN A  34      -3.649  -3.422   5.641  1.00  0.00           O
ATOM    458  NE2 GLN A  34      -2.745  -5.294   4.868  1.00  0.00           N
ATOM      0  H   GLN A  34      -2.023   0.795   3.216  1.00  0.00           H   new
ATOM      0  HA  GLN A  34      -0.982  -1.716   2.027  1.00  0.00           H   new
ATOM      0  HB2 GLN A  34      -1.517  -1.836   4.480  1.00  0.00           H   new
ATOM      0  HB3 GLN A  34      -3.163  -1.368   4.103  1.00  0.00           H   new
ATOM      0  HG2 GLN A  34      -3.455  -3.400   2.750  1.00  0.00           H   new
ATOM      0  HG3 GLN A  34      -1.792  -3.861   3.055  1.00  0.00           H   new
ATOM      0 HE21 GLN A  34      -2.267  -5.771   4.103  1.00  0.00           H   new
ATOM      0 HE22 GLN A  34      -2.967  -5.800   5.725  1.00  0.00           H   new
ATOM    467  N   CYS A  35      -2.977  -1.964   0.558  1.00  0.00           N
ATOM    468  CA  CYS A  35      -3.994  -1.978  -0.460  1.00  0.00           C
ATOM    469  C   CYS A  35      -5.223  -2.674   0.076  1.00  0.00           C
ATOM    470  O   CYS A  35      -5.228  -3.904   0.243  1.00  0.00           O
ATOM    471  CB  CYS A  35      -3.497  -2.712  -1.707  1.00  0.00           C
ATOM    472  SG  CYS A  35      -1.979  -2.028  -2.428  1.00  0.00           S
ATOM      0  H   CYS A  35      -2.351  -2.769   0.535  1.00  0.00           H   new
ATOM      0  HA  CYS A  35      -4.235  -0.951  -0.733  1.00  0.00           H   new
ATOM      0  HB2 CYS A  35      -3.324  -3.758  -1.453  1.00  0.00           H   new
ATOM      0  HB3 CYS A  35      -4.283  -2.693  -2.462  1.00  0.00           H   new
ATOM    477  N   LEU A  36      -6.230  -1.914   0.375  1.00  0.00           N
ATOM    478  CA  LEU A  36      -7.462  -2.442   0.879  1.00  0.00           C
ATOM    479  C   LEU A  36      -8.503  -2.301  -0.177  1.00  0.00           C
ATOM    480  O   LEU A  36      -8.971  -3.312  -0.681  1.00  0.00           O
ATOM    481  CB  LEU A  36      -7.928  -1.769   2.187  1.00  0.00           C
ATOM    482  CG  LEU A  36      -7.029  -1.926   3.429  1.00  0.00           C
ATOM    483  CD1 LEU A  36      -6.568  -3.359   3.626  1.00  0.00           C
ATOM    484  CD2 LEU A  36      -5.875  -0.947   3.434  1.00  0.00           C
ATOM    485  OXT LEU A  36      -8.787  -1.161  -0.586  1.00  0.00           O
ATOM      0  H   LEU A  36      -6.221  -0.899   0.275  1.00  0.00           H   new
ATOM      0  HA  LEU A  36      -7.298  -3.491   1.128  1.00  0.00           H   new
ATOM      0  HB2 LEU A  36      -8.049  -0.703   1.992  1.00  0.00           H   new
ATOM      0  HB3 LEU A  36      -8.914  -2.162   2.434  1.00  0.00           H   new
ATOM      0  HG  LEU A  36      -7.648  -1.676   4.291  1.00  0.00           H   new
ATOM      0 HD11 LEU A  36      -5.938  -3.420   4.513  1.00  0.00           H   new
ATOM      0 HD12 LEU A  36      -7.436  -4.006   3.753  1.00  0.00           H   new
ATOM      0 HD13 LEU A  36      -5.999  -3.681   2.754  1.00  0.00           H   new
ATOM      0 HD21 LEU A  36      -5.273  -1.099   4.330  1.00  0.00           H   new
ATOM      0 HD22 LEU A  36      -5.258  -1.107   2.550  1.00  0.00           H   new
ATOM      0 HD23 LEU A  36      -6.262   0.072   3.426  1.00  0.00           H   new