USER  MOD reduce.3.24.130724 H: found=0, std=0, add=226, rem=0, adj=14
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=    1.16  K(o=1.2,f=-0.42)
USER  MOD Set 2.1: A  24 THR OG1 :   rot   -4:sc=    1.63
USER  MOD Set 2.2: A  26 GLN     :      amide:sc=  -0.587  K(o=1,f=-0.12)
USER  MOD Set 3.1: A   2 GLN     :FLIP  amide:sc=  -0.908  F(o=-2.7!,f=-1.5)
USER  MOD Set 3.2: A   3 SER OG  :   rot  180:sc=  0.0863
USER  MOD Set 3.3: A  13 TYR OH  :   rot  180:sc=  -0.705
USER  MOD Single : A   4 HIS     :FLIP no HE2:sc=  -0.267  F(o=-0.95,f=-0.27)
USER  MOD Single : A   5 TYR OH  :   rot  180:sc=       0
USER  MOD Single : A   7 GLN     :      amide:sc=       0  X(o=0,f=-0.32)
USER  MOD Single : A  14 SER OG  :   rot  180:sc=       0
USER  MOD Single : A  17 THR OG1 :   rot  180:sc=  0.0211
USER  MOD Single : A  21 SER OG  :   rot  180:sc=       0
USER  MOD Single : A  23 THR OG1 :   rot  -57:sc=    1.13
USER  MOD Single : A  29 ASN     :FLIP  amide:sc=   -0.09  F(o=-2.4!,f=-0.09)
USER  MOD Single : A  31 TYR OH  :   rot  180:sc=       0
USER  MOD Single : A  33 SER OG  :   rot  159:sc=  -0.869
USER  MOD -----------------------------------------------------------------
ATOM     17  N   GLN A   2       0.678  -3.819  -6.775  1.00  0.00           N
ATOM     18  CA  GLN A   2       0.582  -4.407  -5.449  1.00  0.00           C
ATOM     19  C   GLN A   2      -0.777  -5.057  -5.240  1.00  0.00           C
ATOM     20  O   GLN A   2      -1.820  -4.467  -5.523  1.00  0.00           O
ATOM     21  CB  GLN A   2       0.851  -3.337  -4.390  1.00  0.00           C
ATOM     22  CG  GLN A   2       0.953  -3.820  -2.941  1.00  0.00           C
ATOM     23  CD  GLN A   2       1.991  -4.915  -2.711  1.00  0.00           C
ATOM     24  OE1 GLN A   2       1.551  -6.146  -2.645  1.00  0.00           O   flip
ATOM     25  NE2 GLN A   2       3.166  -4.652  -2.509  1.00  0.00           N   flip
ATOM      0  HA  GLN A   2       1.335  -5.189  -5.354  1.00  0.00           H   new
ATOM      0  HB2 GLN A   2       1.781  -2.829  -4.647  1.00  0.00           H   new
ATOM      0  HB3 GLN A   2       0.056  -2.594  -4.447  1.00  0.00           H   new
ATOM      0  HG2 GLN A   2       1.194  -2.969  -2.304  1.00  0.00           H   new
ATOM      0  HG3 GLN A   2      -0.023  -4.189  -2.625  1.00  0.00           H   new
ATOM      0 HE21 GLN A   2       3.489  -3.686  -2.565  1.00  0.00           H   new
ATOM      0 HE22 GLN A   2       3.824  -5.398  -2.284  1.00  0.00           H   new
ATOM     34  N   SER A   3      -0.745  -6.271  -4.782  1.00  0.00           N
ATOM     35  CA  SER A   3      -1.917  -7.045  -4.506  1.00  0.00           C
ATOM     36  C   SER A   3      -2.623  -6.592  -3.210  1.00  0.00           C
ATOM     37  O   SER A   3      -2.077  -5.798  -2.415  1.00  0.00           O
ATOM     38  CB  SER A   3      -1.485  -8.500  -4.424  1.00  0.00           C
ATOM     39  OG  SER A   3      -0.259  -8.598  -3.688  1.00  0.00           O
ATOM      0  H   SER A   3       0.125  -6.766  -4.584  1.00  0.00           H   new
ATOM      0  HA  SER A   3      -2.650  -6.905  -5.301  1.00  0.00           H   new
ATOM      0  HB2 SER A   3      -2.260  -9.093  -3.939  1.00  0.00           H   new
ATOM      0  HB3 SER A   3      -1.353  -8.907  -5.426  1.00  0.00           H   new
ATOM      0  HG  SER A   3       0.017  -9.537  -3.635  1.00  0.00           H   new
ATOM     45  N   HIS A   4      -3.816  -7.111  -3.016  1.00  0.00           N
ATOM     46  CA  HIS A   4      -4.659  -6.818  -1.877  1.00  0.00           C
ATOM     47  C   HIS A   4      -3.950  -7.264  -0.597  1.00  0.00           C
ATOM     48  O   HIS A   4      -3.397  -8.361  -0.543  1.00  0.00           O
ATOM     49  CB  HIS A   4      -5.986  -7.567  -2.061  1.00  0.00           C
ATOM     50  CG  HIS A   4      -7.102  -7.168  -1.145  1.00  0.00           C
ATOM     51  ND1 HIS A   4      -7.355  -6.007  -0.512  1.00  0.00           N   flip
ATOM     52  CD2 HIS A   4      -8.174  -7.981  -0.879  1.00  0.00           C   flip
ATOM     53  CE1 HIS A   4      -8.556  -6.134   0.110  1.00  0.00           C   flip
ATOM     54  NE2 HIS A   4      -9.034  -7.336  -0.128  1.00  0.00           N   flip
ATOM      0  H   HIS A   4      -4.240  -7.770  -3.669  1.00  0.00           H   new
ATOM      0  HA  HIS A   4      -4.857  -5.749  -1.801  1.00  0.00           H   new
ATOM      0  HB2 HIS A   4      -6.319  -7.426  -3.089  1.00  0.00           H   new
ATOM      0  HB3 HIS A   4      -5.799  -8.633  -1.930  1.00  0.00           H   new
ATOM      0  HD1 HIS A   4      -6.755  -5.183  -0.501  1.00  0.00           H   new
ATOM      0  HD2 HIS A   4      -8.292  -8.995  -1.233  1.00  0.00           H   new
ATOM      0  HE1 HIS A   4      -9.040  -5.372   0.703  1.00  0.00           H   new
ATOM     63  N   TYR A   5      -3.940  -6.377   0.396  1.00  0.00           N
ATOM     64  CA  TYR A   5      -3.276  -6.569   1.694  1.00  0.00           C
ATOM     65  C   TYR A   5      -1.767  -6.439   1.601  1.00  0.00           C
ATOM     66  O   TYR A   5      -1.068  -6.659   2.573  1.00  0.00           O
ATOM     67  CB  TYR A   5      -3.690  -7.871   2.420  1.00  0.00           C
ATOM     68  CG  TYR A   5      -5.013  -7.801   3.163  1.00  0.00           C
ATOM     69  CD1 TYR A   5      -5.099  -8.223   4.485  1.00  0.00           C
ATOM     70  CD2 TYR A   5      -6.162  -7.313   2.562  1.00  0.00           C
ATOM     71  CE1 TYR A   5      -6.292  -8.164   5.179  1.00  0.00           C
ATOM     72  CE2 TYR A   5      -7.356  -7.249   3.247  1.00  0.00           C
ATOM     73  CZ  TYR A   5      -7.417  -7.677   4.552  1.00  0.00           C
ATOM     74  OH  TYR A   5      -8.613  -7.611   5.236  1.00  0.00           O
ATOM      0  H   TYR A   5      -4.408  -5.474   0.322  1.00  0.00           H   new
ATOM      0  HA  TYR A   5      -3.637  -5.750   2.316  1.00  0.00           H   new
ATOM      0  HB2 TYR A   5      -3.745  -8.676   1.687  1.00  0.00           H   new
ATOM      0  HB3 TYR A   5      -2.906  -8.138   3.129  1.00  0.00           H   new
ATOM      0  HD1 TYR A   5      -4.217  -8.604   4.978  1.00  0.00           H   new
ATOM      0  HD2 TYR A   5      -6.121  -6.976   1.537  1.00  0.00           H   new
ATOM      0  HE1 TYR A   5      -6.342  -8.497   6.205  1.00  0.00           H   new
ATOM      0  HE2 TYR A   5      -8.240  -6.864   2.761  1.00  0.00           H   new
ATOM      0  HH  TYR A   5      -9.306  -7.243   4.649  1.00  0.00           H   new
ATOM     84  N   GLY A   6      -1.283  -6.009   0.467  1.00  0.00           N
ATOM     85  CA  GLY A   6       0.123  -5.792   0.323  1.00  0.00           C
ATOM     86  C   GLY A   6       0.460  -4.354   0.612  1.00  0.00           C
ATOM     87  O   GLY A   6      -0.446  -3.501   0.655  1.00  0.00           O
ATOM      0  H   GLY A   6      -1.840  -5.805  -0.363  1.00  0.00           H   new
ATOM      0  HA2 GLY A   6       0.670  -6.445   1.003  1.00  0.00           H   new
ATOM      0  HA3 GLY A   6       0.436  -6.050  -0.689  1.00  0.00           H   new
ATOM     91  N   GLN A   7       1.723  -4.077   0.818  1.00  0.00           N
ATOM     92  CA  GLN A   7       2.176  -2.739   1.097  1.00  0.00           C
ATOM     93  C   GLN A   7       2.391  -1.975  -0.203  1.00  0.00           C
ATOM     94  O   GLN A   7       3.388  -2.184  -0.878  1.00  0.00           O
ATOM     95  CB  GLN A   7       3.484  -2.774   1.896  1.00  0.00           C
ATOM     96  CG  GLN A   7       3.975  -1.392   2.319  1.00  0.00           C
ATOM     97  CD  GLN A   7       5.301  -1.404   3.051  1.00  0.00           C
ATOM     98  OE1 GLN A   7       5.657  -2.368   3.735  1.00  0.00           O
ATOM     99  NE2 GLN A   7       6.026  -0.325   2.928  1.00  0.00           N
ATOM      0  H   GLN A   7       2.467  -4.775   0.797  1.00  0.00           H   new
ATOM      0  HA  GLN A   7       1.413  -2.233   1.688  1.00  0.00           H   new
ATOM      0  HB2 GLN A   7       3.341  -3.388   2.785  1.00  0.00           H   new
ATOM      0  HB3 GLN A   7       4.255  -3.257   1.295  1.00  0.00           H   new
ATOM      0  HG2 GLN A   7       4.067  -0.764   1.433  1.00  0.00           H   new
ATOM      0  HG3 GLN A   7       3.223  -0.931   2.959  1.00  0.00           H   new
ATOM      0 HE21 GLN A   7       5.695   0.449   2.353  1.00  0.00           H   new
ATOM      0 HE22 GLN A   7       6.924  -0.256   3.407  1.00  0.00           H   new
ATOM    108  N   CYS A   8       1.436  -1.125  -0.559  1.00  0.00           N
ATOM    109  CA  CYS A   8       1.546  -0.296  -1.766  1.00  0.00           C
ATOM    110  C   CYS A   8       2.697   0.650  -1.664  1.00  0.00           C
ATOM    111  O   CYS A   8       3.439   0.842  -2.605  1.00  0.00           O
ATOM    112  CB  CYS A   8       0.261   0.477  -2.034  1.00  0.00           C
ATOM    113  SG  CYS A   8      -0.563   1.138  -0.553  1.00  0.00           S
ATOM      0  H   CYS A   8       0.573  -0.987  -0.032  1.00  0.00           H   new
ATOM      0  HA  CYS A   8       1.719  -0.972  -2.604  1.00  0.00           H   new
ATOM      0  HB2 CYS A   8       0.487   1.305  -2.706  1.00  0.00           H   new
ATOM      0  HB3 CYS A   8      -0.436  -0.177  -2.558  1.00  0.00           H   new
ATOM    118  N   GLY A   9       2.855   1.239  -0.528  1.00  0.00           N
ATOM    119  CA  GLY A   9       3.954   2.081  -0.374  1.00  0.00           C
ATOM    120  C   GLY A   9       3.669   3.314   0.368  1.00  0.00           C
ATOM    121  O   GLY A   9       2.744   4.057   0.055  1.00  0.00           O
ATOM      0  H   GLY A   9       2.243   1.147   0.283  1.00  0.00           H   new
ATOM      0  HA2 GLY A   9       4.746   1.536   0.140  1.00  0.00           H   new
ATOM      0  HA3 GLY A   9       4.337   2.344  -1.360  1.00  0.00           H   new
ATOM    125  N   GLY A  10       4.409   3.488   1.394  1.00  0.00           N
ATOM    126  CA  GLY A  10       4.405   4.688   2.120  1.00  0.00           C
ATOM    127  C   GLY A  10       5.732   5.339   1.826  1.00  0.00           C
ATOM    128  O   GLY A  10       6.372   4.999   0.804  1.00  0.00           O
ATOM      0  H   GLY A  10       5.048   2.781   1.758  1.00  0.00           H   new
ATOM      0  HA2 GLY A  10       3.577   5.329   1.815  1.00  0.00           H   new
ATOM      0  HA3 GLY A  10       4.287   4.501   3.187  1.00  0.00           H   new
ATOM    132  N   ILE A  11       6.176   6.208   2.672  1.00  0.00           N
ATOM    133  CA  ILE A  11       7.488   6.797   2.524  1.00  0.00           C
ATOM    134  C   ILE A  11       8.541   5.676   2.633  1.00  0.00           C
ATOM    135  O   ILE A  11       8.456   4.822   3.522  1.00  0.00           O
ATOM    136  CB  ILE A  11       7.748   7.860   3.626  1.00  0.00           C
ATOM    137  CG1 ILE A  11       6.643   8.921   3.612  1.00  0.00           C
ATOM    138  CG2 ILE A  11       9.111   8.519   3.415  1.00  0.00           C
ATOM    139  CD1 ILE A  11       6.730   9.916   4.749  1.00  0.00           C
ATOM      0  H   ILE A  11       5.653   6.536   3.484  1.00  0.00           H   new
ATOM      0  HA  ILE A  11       7.551   7.291   1.555  1.00  0.00           H   new
ATOM      0  HB  ILE A  11       7.745   7.363   4.596  1.00  0.00           H   new
ATOM      0 HG12 ILE A  11       6.684   9.461   2.666  1.00  0.00           H   new
ATOM      0 HG13 ILE A  11       5.674   8.423   3.652  1.00  0.00           H   new
ATOM      0 HG21 ILE A  11       9.280   9.262   4.194  1.00  0.00           H   new
ATOM      0 HG22 ILE A  11       9.893   7.761   3.460  1.00  0.00           H   new
ATOM      0 HG23 ILE A  11       9.133   9.005   2.440  1.00  0.00           H   new
ATOM      0 HD11 ILE A  11       5.913  10.633   4.668  1.00  0.00           H   new
ATOM      0 HD12 ILE A  11       6.657   9.389   5.700  1.00  0.00           H   new
ATOM      0 HD13 ILE A  11       7.682  10.444   4.699  1.00  0.00           H   new
ATOM    151  N   GLY A  12       9.463   5.633   1.701  1.00  0.00           N
ATOM    152  CA  GLY A  12      10.506   4.628   1.747  1.00  0.00           C
ATOM    153  C   GLY A  12      10.224   3.446   0.842  1.00  0.00           C
ATOM    154  O   GLY A  12      11.061   2.571   0.665  1.00  0.00           O
ATOM      0  H   GLY A  12       9.516   6.273   0.909  1.00  0.00           H   new
ATOM      0  HA2 GLY A  12      11.454   5.082   1.459  1.00  0.00           H   new
ATOM      0  HA3 GLY A  12      10.620   4.276   2.772  1.00  0.00           H   new
ATOM    158  N   TYR A  13       9.046   3.403   0.282  1.00  0.00           N
ATOM    159  CA  TYR A  13       8.690   2.342  -0.633  1.00  0.00           C
ATOM    160  C   TYR A  13       8.602   2.960  -2.016  1.00  0.00           C
ATOM    161  O   TYR A  13       8.061   4.065  -2.160  1.00  0.00           O
ATOM    162  CB  TYR A  13       7.347   1.739  -0.218  1.00  0.00           C
ATOM    163  CG  TYR A  13       6.964   0.444  -0.919  1.00  0.00           C
ATOM    164  CD1 TYR A  13       6.493   0.439  -2.224  1.00  0.00           C
ATOM    165  CD2 TYR A  13       7.049  -0.768  -0.256  1.00  0.00           C
ATOM    166  CE1 TYR A  13       6.123  -0.736  -2.844  1.00  0.00           C
ATOM    167  CE2 TYR A  13       6.683  -1.946  -0.870  1.00  0.00           C
ATOM    168  CZ  TYR A  13       6.221  -1.923  -2.165  1.00  0.00           C
ATOM    169  OH  TYR A  13       5.843  -3.098  -2.779  1.00  0.00           O
ATOM      0  H   TYR A  13       8.310   4.091   0.441  1.00  0.00           H   new
ATOM      0  HA  TYR A  13       9.429   1.541  -0.625  1.00  0.00           H   new
ATOM      0  HB2 TYR A  13       7.367   1.558   0.857  1.00  0.00           H   new
ATOM      0  HB3 TYR A  13       6.565   2.476  -0.402  1.00  0.00           H   new
ATOM      0  HD1 TYR A  13       6.415   1.371  -2.764  1.00  0.00           H   new
ATOM      0  HD2 TYR A  13       7.409  -0.791   0.762  1.00  0.00           H   new
ATOM      0  HE1 TYR A  13       5.758  -0.721  -3.860  1.00  0.00           H   new
ATOM      0  HE2 TYR A  13       6.759  -2.882  -0.337  1.00  0.00           H   new
ATOM      0  HH  TYR A  13       5.976  -3.847  -2.161  1.00  0.00           H   new
ATOM    179  N   SER A  14       9.138   2.299  -3.011  1.00  0.00           N
ATOM    180  CA  SER A  14       9.169   2.870  -4.340  1.00  0.00           C
ATOM    181  C   SER A  14       8.912   1.841  -5.448  1.00  0.00           C
ATOM    182  O   SER A  14       9.260   2.067  -6.610  1.00  0.00           O
ATOM    183  CB  SER A  14      10.506   3.566  -4.528  1.00  0.00           C
ATOM    184  OG  SER A  14      11.576   2.719  -4.119  1.00  0.00           O
ATOM      0  H   SER A  14       9.557   1.372  -2.931  1.00  0.00           H   new
ATOM      0  HA  SER A  14       8.353   3.587  -4.426  1.00  0.00           H   new
ATOM      0  HB2 SER A  14      10.634   3.842  -5.575  1.00  0.00           H   new
ATOM      0  HB3 SER A  14      10.525   4.490  -3.950  1.00  0.00           H   new
ATOM      0  HG  SER A  14      12.429   3.184  -4.249  1.00  0.00           H   new
ATOM    190  N   GLY A  15       8.295   0.741  -5.104  1.00  0.00           N
ATOM    191  CA  GLY A  15       7.976  -0.267  -6.089  1.00  0.00           C
ATOM    192  C   GLY A  15       6.551  -0.118  -6.596  1.00  0.00           C
ATOM    193  O   GLY A  15       6.174   0.974  -7.059  1.00  0.00           O
ATOM      0  H   GLY A  15       8.003   0.518  -4.153  1.00  0.00           H   new
ATOM      0  HA2 GLY A  15       8.671  -0.193  -6.926  1.00  0.00           H   new
ATOM      0  HA3 GLY A  15       8.107  -1.258  -5.653  1.00  0.00           H   new
ATOM    197  N   PRO A  16       5.740  -1.193  -6.537  1.00  0.00           N
ATOM    198  CA  PRO A  16       4.329  -1.157  -6.924  1.00  0.00           C
ATOM    199  C   PRO A  16       3.500  -0.357  -5.935  1.00  0.00           C
ATOM    200  O   PRO A  16       2.970  -0.899  -4.973  1.00  0.00           O
ATOM    201  CB  PRO A  16       3.896  -2.635  -6.893  1.00  0.00           C
ATOM    202  CG  PRO A  16       5.156  -3.410  -6.811  1.00  0.00           C
ATOM    203  CD  PRO A  16       6.130  -2.537  -6.096  1.00  0.00           C
ATOM      0  HA  PRO A  16       4.187  -0.683  -7.895  1.00  0.00           H   new
ATOM      0  HB2 PRO A  16       3.253  -2.838  -6.037  1.00  0.00           H   new
ATOM      0  HB3 PRO A  16       3.330  -2.898  -7.787  1.00  0.00           H   new
ATOM      0  HG2 PRO A  16       5.004  -4.346  -6.274  1.00  0.00           H   new
ATOM      0  HG3 PRO A  16       5.520  -3.668  -7.805  1.00  0.00           H   new
ATOM      0  HD2 PRO A  16       6.054  -2.646  -5.014  1.00  0.00           H   new
ATOM      0  HD3 PRO A  16       7.159  -2.770  -6.369  1.00  0.00           H   new
ATOM    211  N   THR A  17       3.445   0.928  -6.157  1.00  0.00           N
ATOM    212  CA  THR A  17       2.712   1.830  -5.315  1.00  0.00           C
ATOM    213  C   THR A  17       1.242   1.843  -5.686  1.00  0.00           C
ATOM    214  O   THR A  17       0.378   2.290  -4.920  1.00  0.00           O
ATOM    215  CB  THR A  17       3.330   3.230  -5.393  1.00  0.00           C
ATOM    216  OG1 THR A  17       3.550   3.599  -6.782  1.00  0.00           O
ATOM    217  CG2 THR A  17       4.653   3.252  -4.652  1.00  0.00           C
ATOM      0  H   THR A  17       3.915   1.383  -6.939  1.00  0.00           H   new
ATOM      0  HA  THR A  17       2.777   1.486  -4.283  1.00  0.00           H   new
ATOM      0  HB  THR A  17       2.645   3.943  -4.934  1.00  0.00           H   new
ATOM      0  HG1 THR A  17       3.944   4.496  -6.824  1.00  0.00           H   new
ATOM      0 HG21 THR A  17       5.087   4.250  -4.712  1.00  0.00           H   new
ATOM      0 HG22 THR A  17       4.489   2.989  -3.607  1.00  0.00           H   new
ATOM      0 HG23 THR A  17       5.335   2.532  -5.104  1.00  0.00           H   new
ATOM    225  N   VAL A  18       0.968   1.344  -6.858  1.00  0.00           N
ATOM    226  CA  VAL A  18      -0.368   1.208  -7.334  1.00  0.00           C
ATOM    227  C   VAL A  18      -0.873  -0.154  -6.904  1.00  0.00           C
ATOM    228  O   VAL A  18      -0.137  -1.152  -6.998  1.00  0.00           O
ATOM    229  CB  VAL A  18      -0.425   1.326  -8.883  1.00  0.00           C
ATOM    230  CG1 VAL A  18      -1.857   1.224  -9.385  1.00  0.00           C
ATOM    231  CG2 VAL A  18       0.197   2.635  -9.349  1.00  0.00           C
ATOM      0  H   VAL A  18       1.679   1.018  -7.513  1.00  0.00           H   new
ATOM      0  HA  VAL A  18      -0.988   2.003  -6.920  1.00  0.00           H   new
ATOM      0  HB  VAL A  18       0.148   0.498  -9.299  1.00  0.00           H   new
ATOM      0 HG11 VAL A  18      -1.869   1.310 -10.472  1.00  0.00           H   new
ATOM      0 HG12 VAL A  18      -2.278   0.262  -9.092  1.00  0.00           H   new
ATOM      0 HG13 VAL A  18      -2.453   2.027  -8.951  1.00  0.00           H   new
ATOM      0 HG21 VAL A  18       0.146   2.695 -10.436  1.00  0.00           H   new
ATOM      0 HG22 VAL A  18      -0.348   3.472  -8.913  1.00  0.00           H   new
ATOM      0 HG23 VAL A  18       1.239   2.676  -9.032  1.00  0.00           H   new
ATOM    241  N   CYS A  19      -2.070  -0.198  -6.410  1.00  0.00           N
ATOM    242  CA  CYS A  19      -2.677  -1.427  -5.989  1.00  0.00           C
ATOM    243  C   CYS A  19      -3.480  -1.996  -7.128  1.00  0.00           C
ATOM    244  O   CYS A  19      -3.756  -1.289  -8.107  1.00  0.00           O
ATOM    245  CB  CYS A  19      -3.585  -1.180  -4.796  1.00  0.00           C
ATOM    246  SG  CYS A  19      -2.736  -0.441  -3.376  1.00  0.00           S
ATOM      0  H   CYS A  19      -2.661   0.624  -6.285  1.00  0.00           H   new
ATOM      0  HA  CYS A  19      -1.899  -2.132  -5.698  1.00  0.00           H   new
ATOM      0  HB2 CYS A  19      -4.401  -0.525  -5.101  1.00  0.00           H   new
ATOM      0  HB3 CYS A  19      -4.032  -2.125  -4.489  1.00  0.00           H   new
ATOM    251  N   ALA A  20      -3.799  -3.273  -7.043  1.00  0.00           N
ATOM    252  CA  ALA A  20      -4.666  -3.908  -8.014  1.00  0.00           C
ATOM    253  C   ALA A  20      -5.987  -3.155  -8.065  1.00  0.00           C
ATOM    254  O   ALA A  20      -6.506  -2.723  -7.013  1.00  0.00           O
ATOM    255  CB  ALA A  20      -4.898  -5.361  -7.655  1.00  0.00           C
ATOM      0  H   ALA A  20      -3.467  -3.894  -6.305  1.00  0.00           H   new
ATOM      0  HA  ALA A  20      -4.191  -3.879  -8.995  1.00  0.00           H   new
ATOM      0  HB1 ALA A  20      -5.552  -5.819  -8.397  1.00  0.00           H   new
ATOM      0  HB2 ALA A  20      -3.944  -5.888  -7.637  1.00  0.00           H   new
ATOM      0  HB3 ALA A  20      -5.365  -5.423  -6.672  1.00  0.00           H   new
ATOM    261  N   SER A  21      -6.507  -2.970  -9.257  1.00  0.00           N
ATOM    262  CA  SER A  21      -7.707  -2.189  -9.457  1.00  0.00           C
ATOM    263  C   SER A  21      -8.867  -2.760  -8.640  1.00  0.00           C
ATOM    264  O   SER A  21      -9.153  -3.962  -8.695  1.00  0.00           O
ATOM    265  CB  SER A  21      -8.036  -2.137 -10.942  1.00  0.00           C
ATOM    266  OG  SER A  21      -6.885  -1.714 -11.678  1.00  0.00           O
ATOM      0  H   SER A  21      -6.111  -3.356 -10.114  1.00  0.00           H   new
ATOM      0  HA  SER A  21      -7.540  -1.171  -9.106  1.00  0.00           H   new
ATOM      0  HB2 SER A  21      -8.359  -3.119 -11.287  1.00  0.00           H   new
ATOM      0  HB3 SER A  21      -8.864  -1.450 -11.117  1.00  0.00           H   new
ATOM      0  HG  SER A  21      -7.101  -1.684 -12.633  1.00  0.00           H   new
ATOM    272  N   GLY A  22      -9.490  -1.914  -7.862  1.00  0.00           N
ATOM    273  CA  GLY A  22     -10.544  -2.364  -6.999  1.00  0.00           C
ATOM    274  C   GLY A  22     -10.154  -2.302  -5.541  1.00  0.00           C
ATOM    275  O   GLY A  22     -11.020  -2.356  -4.662  1.00  0.00           O
ATOM      0  H   GLY A  22      -9.286  -0.916  -7.810  1.00  0.00           H   new
ATOM      0  HA2 GLY A  22     -11.431  -1.752  -7.162  1.00  0.00           H   new
ATOM      0  HA3 GLY A  22     -10.811  -3.388  -7.259  1.00  0.00           H   new
ATOM    279  N   THR A  23      -8.866  -2.189  -5.268  1.00  0.00           N
ATOM    280  CA  THR A  23      -8.390  -2.084  -3.902  1.00  0.00           C
ATOM    281  C   THR A  23      -7.736  -0.723  -3.714  1.00  0.00           C
ATOM    282  O   THR A  23      -7.128  -0.201  -4.649  1.00  0.00           O
ATOM    283  CB  THR A  23      -7.402  -3.236  -3.536  1.00  0.00           C
ATOM    284  OG1 THR A  23      -6.240  -3.216  -4.381  1.00  0.00           O
ATOM    285  CG2 THR A  23      -8.087  -4.586  -3.678  1.00  0.00           C
ATOM      0  H   THR A  23      -8.131  -2.168  -5.975  1.00  0.00           H   new
ATOM      0  HA  THR A  23      -9.240  -2.181  -3.226  1.00  0.00           H   new
ATOM      0  HB  THR A  23      -7.092  -3.082  -2.502  1.00  0.00           H   new
ATOM      0  HG1 THR A  23      -6.516  -3.281  -5.319  1.00  0.00           H   new
ATOM      0 HG21 THR A  23      -7.385  -5.379  -3.419  1.00  0.00           H   new
ATOM      0 HG22 THR A  23      -8.947  -4.630  -3.009  1.00  0.00           H   new
ATOM      0 HG23 THR A  23      -8.421  -4.718  -4.707  1.00  0.00           H   new
ATOM    293  N   THR A  24      -7.871  -0.140  -2.554  1.00  0.00           N
ATOM    294  CA  THR A  24      -7.369   1.196  -2.328  1.00  0.00           C
ATOM    295  C   THR A  24      -6.083   1.197  -1.527  1.00  0.00           C
ATOM    296  O   THR A  24      -5.951   0.454  -0.553  1.00  0.00           O
ATOM    297  CB  THR A  24      -8.429   2.076  -1.621  1.00  0.00           C
ATOM    298  OG1 THR A  24      -8.891   1.448  -0.394  1.00  0.00           O
ATOM    299  CG2 THR A  24      -9.608   2.318  -2.540  1.00  0.00           C
ATOM      0  H   THR A  24      -8.325  -0.567  -1.746  1.00  0.00           H   new
ATOM      0  HA  THR A  24      -7.152   1.617  -3.310  1.00  0.00           H   new
ATOM      0  HB  THR A  24      -7.962   3.029  -1.372  1.00  0.00           H   new
ATOM      0  HG1 THR A  24      -8.481   0.562  -0.305  1.00  0.00           H   new
ATOM      0 HG21 THR A  24     -10.345   2.938  -2.030  1.00  0.00           H   new
ATOM      0 HG22 THR A  24      -9.268   2.827  -3.442  1.00  0.00           H   new
ATOM      0 HG23 THR A  24     -10.061   1.364  -2.810  1.00  0.00           H   new
ATOM    307  N   CYS A  25      -5.137   2.008  -1.937  1.00  0.00           N
ATOM    308  CA  CYS A  25      -3.912   2.141  -1.195  1.00  0.00           C
ATOM    309  C   CYS A  25      -4.145   3.085  -0.045  1.00  0.00           C
ATOM    310  O   CYS A  25      -4.325   4.295  -0.237  1.00  0.00           O
ATOM    311  CB  CYS A  25      -2.758   2.638  -2.070  1.00  0.00           C
ATOM    312  SG  CYS A  25      -1.204   2.968  -1.153  1.00  0.00           S
ATOM      0  H   CYS A  25      -5.194   2.583  -2.778  1.00  0.00           H   new
ATOM      0  HA  CYS A  25      -3.623   1.158  -0.824  1.00  0.00           H   new
ATOM      0  HB2 CYS A  25      -2.559   1.897  -2.844  1.00  0.00           H   new
ATOM      0  HB3 CYS A  25      -3.069   3.552  -2.576  1.00  0.00           H   new
ATOM    317  N   GLN A  26      -4.203   2.541   1.123  1.00  0.00           N
ATOM    318  CA  GLN A  26      -4.438   3.304   2.294  1.00  0.00           C
ATOM    319  C   GLN A  26      -3.152   3.464   3.057  1.00  0.00           C
ATOM    320  O   GLN A  26      -2.568   2.478   3.529  1.00  0.00           O
ATOM    321  CB  GLN A  26      -5.503   2.618   3.139  1.00  0.00           C
ATOM    322  CG  GLN A  26      -6.846   2.521   2.433  1.00  0.00           C
ATOM    323  CD  GLN A  26      -7.893   1.794   3.234  1.00  0.00           C
ATOM    324  OE1 GLN A  26      -7.879   1.802   4.471  1.00  0.00           O
ATOM    325  NE2 GLN A  26      -8.813   1.176   2.553  1.00  0.00           N
ATOM      0  H   GLN A  26      -4.087   1.542   1.290  1.00  0.00           H   new
ATOM      0  HA  GLN A  26      -4.800   4.297   2.028  1.00  0.00           H   new
ATOM      0  HB2 GLN A  26      -5.162   1.616   3.401  1.00  0.00           H   new
ATOM      0  HB3 GLN A  26      -5.628   3.166   4.073  1.00  0.00           H   new
ATOM      0  HG2 GLN A  26      -7.204   3.526   2.209  1.00  0.00           H   new
ATOM      0  HG3 GLN A  26      -6.710   2.011   1.479  1.00  0.00           H   new
ATOM      0 HE21 GLN A  26      -8.790   1.192   1.533  1.00  0.00           H   new
ATOM      0 HE22 GLN A  26      -9.557   0.675   3.039  1.00  0.00           H   new
ATOM    334  N   VAL A  27      -2.687   4.689   3.143  1.00  0.00           N
ATOM    335  CA  VAL A  27      -1.486   4.997   3.874  1.00  0.00           C
ATOM    336  C   VAL A  27      -1.856   5.062   5.352  1.00  0.00           C
ATOM    337  O   VAL A  27      -2.469   6.035   5.822  1.00  0.00           O
ATOM    338  CB  VAL A  27      -0.831   6.335   3.384  1.00  0.00           C
ATOM    339  CG1 VAL A  27       0.497   6.590   4.065  1.00  0.00           C
ATOM    340  CG2 VAL A  27      -0.673   6.344   1.864  1.00  0.00           C
ATOM      0  H   VAL A  27      -3.132   5.497   2.708  1.00  0.00           H   new
ATOM      0  HA  VAL A  27      -0.737   4.223   3.705  1.00  0.00           H   new
ATOM      0  HB  VAL A  27      -1.504   7.146   3.662  1.00  0.00           H   new
ATOM      0 HG11 VAL A  27       0.920   7.526   3.699  1.00  0.00           H   new
ATOM      0 HG12 VAL A  27       0.347   6.656   5.143  1.00  0.00           H   new
ATOM      0 HG13 VAL A  27       1.182   5.772   3.844  1.00  0.00           H   new
ATOM      0 HG21 VAL A  27      -0.216   7.283   1.551  1.00  0.00           H   new
ATOM      0 HG22 VAL A  27      -0.038   5.512   1.559  1.00  0.00           H   new
ATOM      0 HG23 VAL A  27      -1.652   6.243   1.396  1.00  0.00           H   new
ATOM    350  N   LEU A  28      -1.558   3.992   6.055  1.00  0.00           N
ATOM    351  CA  LEU A  28      -1.956   3.827   7.444  1.00  0.00           C
ATOM    352  C   LEU A  28      -0.967   4.537   8.332  1.00  0.00           C
ATOM    353  O   LEU A  28      -1.330   5.334   9.191  1.00  0.00           O
ATOM    354  CB  LEU A  28      -2.020   2.331   7.807  1.00  0.00           C
ATOM    355  CG  LEU A  28      -2.873   1.443   6.885  1.00  0.00           C
ATOM    356  CD1 LEU A  28      -2.913   0.013   7.391  1.00  0.00           C
ATOM    357  CD2 LEU A  28      -4.275   1.992   6.741  1.00  0.00           C
ATOM      0  H   LEU A  28      -1.029   3.204   5.681  1.00  0.00           H   new
ATOM      0  HA  LEU A  28      -2.947   4.258   7.589  1.00  0.00           H   new
ATOM      0  HB2 LEU A  28      -1.004   1.937   7.817  1.00  0.00           H   new
ATOM      0  HB3 LEU A  28      -2.407   2.241   8.822  1.00  0.00           H   new
ATOM      0  HG  LEU A  28      -2.404   1.446   5.901  1.00  0.00           H   new
ATOM      0 HD11 LEU A  28      -3.523  -0.593   6.721  1.00  0.00           H   new
ATOM      0 HD12 LEU A  28      -1.901  -0.390   7.424  1.00  0.00           H   new
ATOM      0 HD13 LEU A  28      -3.345  -0.007   8.392  1.00  0.00           H   new
ATOM      0 HD21 LEU A  28      -4.854   1.343   6.084  1.00  0.00           H   new
ATOM      0 HD22 LEU A  28      -4.751   2.035   7.720  1.00  0.00           H   new
ATOM      0 HD23 LEU A  28      -4.231   2.994   6.315  1.00  0.00           H   new
ATOM    369  N   ASN A  29       0.270   4.236   8.113  1.00  0.00           N
ATOM    370  CA  ASN A  29       1.365   4.896   8.792  1.00  0.00           C
ATOM    371  C   ASN A  29       2.016   5.649   7.678  1.00  0.00           C
ATOM    372  O   ASN A  29       1.795   5.274   6.543  1.00  0.00           O
ATOM    373  CB  ASN A  29       2.410   3.892   9.381  1.00  0.00           C
ATOM    374  CG  ASN A  29       1.903   2.859  10.397  1.00  0.00           C
ATOM    375  OD1 ASN A  29       0.712   2.376  10.236  1.00  0.00           O   flip
ATOM    376  ND2 ASN A  29       2.632   2.470  11.306  1.00  0.00           N   flip
ATOM      0  H   ASN A  29       0.565   3.518   7.452  1.00  0.00           H   new
ATOM      0  HA  ASN A  29       1.016   5.493   9.635  1.00  0.00           H   new
ATOM      0  HB2 ASN A  29       2.864   3.352   8.550  1.00  0.00           H   new
ATOM      0  HB3 ASN A  29       3.202   4.471   9.856  1.00  0.00           H   new
ATOM      0 HD21 ASN A  29       3.567   2.864  11.414  1.00  0.00           H   new
ATOM      0 HD22 ASN A  29       2.303   1.753  11.952  1.00  0.00           H   new
ATOM    383  N   PRO A  30       2.844   6.670   7.912  1.00  0.00           N
ATOM    384  CA  PRO A  30       3.447   7.422   6.799  1.00  0.00           C
ATOM    385  C   PRO A  30       4.333   6.523   5.936  1.00  0.00           C
ATOM    386  O   PRO A  30       4.532   6.769   4.758  1.00  0.00           O
ATOM    387  CB  PRO A  30       4.303   8.480   7.487  1.00  0.00           C
ATOM    388  CG  PRO A  30       3.778   8.561   8.884  1.00  0.00           C
ATOM    389  CD  PRO A  30       3.267   7.191   9.220  1.00  0.00           C
ATOM      0  HA  PRO A  30       2.691   7.841   6.135  1.00  0.00           H   new
ATOM      0  HB2 PRO A  30       5.357   8.201   7.478  1.00  0.00           H   new
ATOM      0  HB3 PRO A  30       4.223   9.442   6.980  1.00  0.00           H   new
ATOM      0  HG2 PRO A  30       4.562   8.865   9.577  1.00  0.00           H   new
ATOM      0  HG3 PRO A  30       2.982   9.302   8.958  1.00  0.00           H   new
ATOM      0  HD2 PRO A  30       4.041   6.570   9.671  1.00  0.00           H   new
ATOM      0  HD3 PRO A  30       2.438   7.231   9.927  1.00  0.00           H   new
ATOM    397  N   TYR A  31       4.842   5.469   6.542  1.00  0.00           N
ATOM    398  CA  TYR A  31       5.709   4.545   5.859  1.00  0.00           C
ATOM    399  C   TYR A  31       4.965   3.239   5.507  1.00  0.00           C
ATOM    400  O   TYR A  31       5.348   2.530   4.561  1.00  0.00           O
ATOM    401  CB  TYR A  31       6.943   4.252   6.739  1.00  0.00           C
ATOM    402  CG  TYR A  31       7.786   5.481   7.065  1.00  0.00           C
ATOM    403  CD1 TYR A  31       7.422   6.358   8.082  1.00  0.00           C
ATOM    404  CD2 TYR A  31       8.937   5.763   6.350  1.00  0.00           C
ATOM    405  CE1 TYR A  31       8.179   7.476   8.364  1.00  0.00           C
ATOM    406  CE2 TYR A  31       9.700   6.873   6.628  1.00  0.00           C
ATOM    407  CZ  TYR A  31       9.319   7.728   7.630  1.00  0.00           C
ATOM    408  OH  TYR A  31      10.080   8.848   7.893  1.00  0.00           O
ATOM      0  H   TYR A  31       4.664   5.234   7.518  1.00  0.00           H   new
ATOM      0  HA  TYR A  31       6.036   4.997   4.922  1.00  0.00           H   new
ATOM      0  HB2 TYR A  31       6.610   3.796   7.671  1.00  0.00           H   new
ATOM      0  HB3 TYR A  31       7.571   3.519   6.232  1.00  0.00           H   new
ATOM      0  HD1 TYR A  31       6.532   6.160   8.660  1.00  0.00           H   new
ATOM      0  HD2 TYR A  31       9.243   5.097   5.557  1.00  0.00           H   new
ATOM      0  HE1 TYR A  31       7.881   8.149   9.154  1.00  0.00           H   new
ATOM      0  HE2 TYR A  31      10.596   7.071   6.059  1.00  0.00           H   new
ATOM      0  HH  TYR A  31      10.848   8.872   7.285  1.00  0.00           H   new
ATOM    418  N   TYR A  32       3.900   2.930   6.245  1.00  0.00           N
ATOM    419  CA  TYR A  32       3.128   1.722   5.981  1.00  0.00           C
ATOM    420  C   TYR A  32       1.825   2.038   5.272  1.00  0.00           C
ATOM    421  O   TYR A  32       0.920   2.634   5.863  1.00  0.00           O
ATOM    422  CB  TYR A  32       2.822   0.919   7.256  1.00  0.00           C
ATOM    423  CG  TYR A  32       2.187  -0.431   6.961  1.00  0.00           C
ATOM    424  CD1 TYR A  32       0.850  -0.691   7.262  1.00  0.00           C
ATOM    425  CD2 TYR A  32       2.928  -1.441   6.358  1.00  0.00           C
ATOM    426  CE1 TYR A  32       0.284  -1.921   6.972  1.00  0.00           C
ATOM    427  CE2 TYR A  32       2.367  -2.665   6.068  1.00  0.00           C
ATOM    428  CZ  TYR A  32       1.049  -2.901   6.377  1.00  0.00           C
ATOM    429  OH  TYR A  32       0.489  -4.130   6.087  1.00  0.00           O
ATOM      0  H   TYR A  32       3.556   3.494   7.022  1.00  0.00           H   new
ATOM      0  HA  TYR A  32       3.757   1.109   5.335  1.00  0.00           H   new
ATOM      0  HB2 TYR A  32       3.745   0.767   7.815  1.00  0.00           H   new
ATOM      0  HB3 TYR A  32       2.154   1.498   7.894  1.00  0.00           H   new
ATOM      0  HD1 TYR A  32       0.249   0.076   7.727  1.00  0.00           H   new
ATOM      0  HD2 TYR A  32       3.964  -1.262   6.112  1.00  0.00           H   new
ATOM      0  HE1 TYR A  32      -0.752  -2.112   7.211  1.00  0.00           H   new
ATOM      0  HE2 TYR A  32       2.961  -3.436   5.600  1.00  0.00           H   new
ATOM      0  HH  TYR A  32       1.163  -4.706   5.669  1.00  0.00           H   new
ATOM    439  N   SER A  33       1.705   1.596   4.071  1.00  0.00           N
ATOM    440  CA  SER A  33       0.494   1.760   3.325  1.00  0.00           C
ATOM    441  C   SER A  33       0.073   0.391   2.863  1.00  0.00           C
ATOM    442  O   SER A  33       0.930  -0.418   2.533  1.00  0.00           O
ATOM    443  CB  SER A  33       0.743   2.665   2.140  1.00  0.00           C
ATOM    444  OG  SER A  33       1.352   3.866   2.548  1.00  0.00           O
ATOM      0  H   SER A  33       2.445   1.106   3.569  1.00  0.00           H   new
ATOM      0  HA  SER A  33      -0.287   2.215   3.934  1.00  0.00           H   new
ATOM      0  HB2 SER A  33       1.380   2.157   1.416  1.00  0.00           H   new
ATOM      0  HB3 SER A  33      -0.200   2.882   1.638  1.00  0.00           H   new
ATOM      0  HG  SER A  33       1.809   4.277   1.785  1.00  0.00           H   new
ATOM    450  N   GLN A  34      -1.193   0.113   2.855  1.00  0.00           N
ATOM    451  CA  GLN A  34      -1.649  -1.197   2.486  1.00  0.00           C
ATOM    452  C   GLN A  34      -2.808  -1.085   1.507  1.00  0.00           C
ATOM    453  O   GLN A  34      -3.565  -0.117   1.548  1.00  0.00           O
ATOM    454  CB  GLN A  34      -2.048  -1.980   3.743  1.00  0.00           C
ATOM    455  CG  GLN A  34      -2.322  -3.451   3.499  1.00  0.00           C
ATOM    456  CD  GLN A  34      -2.620  -4.209   4.768  1.00  0.00           C
ATOM    457  OE1 GLN A  34      -3.178  -3.669   5.711  1.00  0.00           O
ATOM    458  NE2 GLN A  34      -2.211  -5.445   4.822  1.00  0.00           N
ATOM      0  H   GLN A  34      -1.932   0.773   3.099  1.00  0.00           H   new
ATOM      0  HA  GLN A  34      -0.844  -1.741   1.991  1.00  0.00           H   new
ATOM      0  HB2 GLN A  34      -1.252  -1.888   4.482  1.00  0.00           H   new
ATOM      0  HB3 GLN A  34      -2.938  -1.523   4.175  1.00  0.00           H   new
ATOM      0  HG2 GLN A  34      -3.165  -3.550   2.816  1.00  0.00           H   new
ATOM      0  HG3 GLN A  34      -1.459  -3.900   3.007  1.00  0.00           H   new
ATOM      0 HE21 GLN A  34      -1.748  -5.865   4.016  1.00  0.00           H   new
ATOM      0 HE22 GLN A  34      -2.353  -5.993   5.671  1.00  0.00           H   new
ATOM    467  N   CYS A  35      -2.911  -2.037   0.620  1.00  0.00           N
ATOM    468  CA  CYS A  35      -3.976  -2.059  -0.358  1.00  0.00           C
ATOM    469  C   CYS A  35      -5.182  -2.784   0.198  1.00  0.00           C
ATOM    470  O   CYS A  35      -5.168  -4.007   0.342  1.00  0.00           O
ATOM    471  CB  CYS A  35      -3.508  -2.757  -1.628  1.00  0.00           C
ATOM    472  SG  CYS A  35      -2.020  -2.032  -2.359  1.00  0.00           S
ATOM      0  H   CYS A  35      -2.262  -2.821   0.551  1.00  0.00           H   new
ATOM      0  HA  CYS A  35      -4.251  -1.031  -0.592  1.00  0.00           H   new
ATOM      0  HB2 CYS A  35      -3.316  -3.806  -1.404  1.00  0.00           H   new
ATOM      0  HB3 CYS A  35      -4.312  -2.729  -2.363  1.00  0.00           H   new
ATOM    477  N   LEU A  36      -6.194  -2.050   0.532  1.00  0.00           N
ATOM    478  CA  LEU A  36      -7.410  -2.612   1.042  1.00  0.00           C
ATOM    479  C   LEU A  36      -8.503  -2.374   0.035  1.00  0.00           C
ATOM    480  O   LEU A  36      -8.832  -1.200  -0.231  1.00  0.00           O
ATOM    481  CB  LEU A  36      -7.807  -2.058   2.435  1.00  0.00           C
ATOM    482  CG  LEU A  36      -6.863  -2.350   3.629  1.00  0.00           C
ATOM    483  CD1 LEU A  36      -6.475  -3.819   3.719  1.00  0.00           C
ATOM    484  CD2 LEU A  36      -5.652  -1.443   3.641  1.00  0.00           C
ATOM    485  OXT LEU A  36      -9.015  -3.349  -0.526  1.00  0.00           O
ATOM      0  H   LEU A  36      -6.203  -1.033   0.459  1.00  0.00           H   new
ATOM      0  HA  LEU A  36      -7.252  -3.680   1.191  1.00  0.00           H   new
ATOM      0  HB2 LEU A  36      -7.910  -0.976   2.347  1.00  0.00           H   new
ATOM      0  HB3 LEU A  36      -8.792  -2.453   2.683  1.00  0.00           H   new
ATOM      0  HG  LEU A  36      -7.434  -2.123   4.529  1.00  0.00           H   new
ATOM      0 HD11 LEU A  36      -5.813  -3.969   4.572  1.00  0.00           H   new
ATOM      0 HD12 LEU A  36      -7.372  -4.425   3.845  1.00  0.00           H   new
ATOM      0 HD13 LEU A  36      -5.961  -4.116   2.805  1.00  0.00           H   new
ATOM      0 HD21 LEU A  36      -5.023  -1.688   4.497  1.00  0.00           H   new
ATOM      0 HD22 LEU A  36      -5.084  -1.582   2.721  1.00  0.00           H   new
ATOM      0 HD23 LEU A  36      -5.976  -0.405   3.714  1.00  0.00           H   new