USER  MOD reduce.3.24.130724 H: found=0, std=0, add=200, rem=0, adj=11
USER  MOD reduce.3.24.130724 removed 199 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 Single : A   1 VAL N   :NH3+    156:sc=   -1.17   (180deg=-2.55!)
USER  MOD Single : A   3 HIS     :FLIP no HE2:sc=   -6.76! C(o=-8.2!,f=-6.8!)
USER  MOD Single : A   8 THR OG1 :   rot  180:sc= 0.00665
USER  MOD Single : A  14 THR OG1 :   rot -115:sc=   -1.91!
USER  MOD Single : A  15 THR OG1 :   rot  180:sc=       0
USER  MOD Single : A  17 SER OG  :   rot -110:sc=   -2.24!
USER  MOD Single : A  19 SER OG  :   rot  128:sc=   0.883!
USER  MOD Single : A  21 TYR OH  :   rot  180:sc=       0
USER  MOD Single : A  25 TYR OH  :   rot  180:sc=  -0.351
USER  MOD Single : A  27 SER OG  :   rot  180:sc=  -0.672
USER  MOD Single : A  30 SER OG  :   rot  180:sc=       0
USER  MOD -----------------------------------------------------------------
ATOM      1  N   VAL A   1       9.134   6.176   2.532  1.00  0.00           N
ATOM      2  CA  VAL A   1       7.950   5.270   2.514  1.00  0.00           C
ATOM      3  C   VAL A   1       7.364   5.188   1.101  1.00  0.00           C
ATOM      4  O   VAL A   1       6.909   6.170   0.550  1.00  0.00           O
ATOM      5  CB  VAL A   1       6.948   5.910   3.472  1.00  0.00           C
ATOM      6  CG1 VAL A   1       7.404   5.684   4.913  1.00  0.00           C
ATOM      7  CG2 VAL A   1       6.863   7.412   3.193  1.00  0.00           C
ATOM      0  H1  VAL A   1       9.273   6.546   3.494  1.00  0.00           H   new
ATOM      0  H2  VAL A   1       9.980   5.647   2.238  1.00  0.00           H   new
ATOM      0  H3  VAL A   1       8.975   6.968   1.876  1.00  0.00           H   new
ATOM      0  HA  VAL A   1       8.206   4.253   2.810  1.00  0.00           H   new
ATOM      0  HB  VAL A   1       5.967   5.458   3.327  1.00  0.00           H   new
ATOM      0 HG11 VAL A   1       6.689   6.141   5.597  1.00  0.00           H   new
ATOM      0 HG12 VAL A   1       7.464   4.614   5.112  1.00  0.00           H   new
ATOM      0 HG13 VAL A   1       8.385   6.136   5.059  1.00  0.00           H   new
ATOM      0 HG21 VAL A   1       6.148   7.869   3.877  1.00  0.00           H   new
ATOM      0 HG22 VAL A   1       7.844   7.865   3.338  1.00  0.00           H   new
ATOM      0 HG23 VAL A   1       6.537   7.573   2.166  1.00  0.00           H   new
ATOM     19  N   ILE A   2       7.369   4.022   0.513  1.00  0.00           N
ATOM     20  CA  ILE A   2       6.809   3.878  -0.862  1.00  0.00           C
ATOM     21  C   ILE A   2       5.482   4.634  -0.975  1.00  0.00           C
ATOM     22  O   ILE A   2       4.779   4.819  -0.002  1.00  0.00           O
ATOM     23  CB  ILE A   2       6.585   2.375  -1.039  1.00  0.00           C
ATOM     24  CG1 ILE A   2       7.936   1.655  -1.043  1.00  0.00           C
ATOM     25  CG2 ILE A   2       5.865   2.115  -2.364  1.00  0.00           C
ATOM     26  CD1 ILE A   2       8.832   2.259  -2.125  1.00  0.00           C
ATOM      0  H   ILE A   2       7.736   3.164   0.925  1.00  0.00           H   new
ATOM      0  HA  ILE A   2       7.473   4.286  -1.624  1.00  0.00           H   new
ATOM      0  HB  ILE A   2       5.975   2.001  -0.217  1.00  0.00           H   new
ATOM      0 HG12 ILE A   2       8.413   1.748  -0.067  1.00  0.00           H   new
ATOM      0 HG13 ILE A   2       7.792   0.590  -1.227  1.00  0.00           H   new
ATOM      0 HG21 ILE A   2       5.707   1.044  -2.488  1.00  0.00           H   new
ATOM      0 HG22 ILE A   2       4.902   2.626  -2.361  1.00  0.00           H   new
ATOM      0 HG23 ILE A   2       6.473   2.490  -3.188  1.00  0.00           H   new
ATOM      0 HD11 ILE A   2       9.794   1.747  -2.128  1.00  0.00           H   new
ATOM      0 HD12 ILE A   2       8.356   2.143  -3.099  1.00  0.00           H   new
ATOM      0 HD13 ILE A   2       8.986   3.319  -1.920  1.00  0.00           H   new
ATOM     38  N   HIS A   3       5.134   5.073  -2.153  1.00  0.00           N
ATOM     39  CA  HIS A   3       3.853   5.817  -2.320  1.00  0.00           C
ATOM     40  C   HIS A   3       2.942   5.091  -3.311  1.00  0.00           C
ATOM     41  O   HIS A   3       1.884   4.616  -2.954  1.00  0.00           O
ATOM     42  CB  HIS A   3       4.257   7.186  -2.865  1.00  0.00           C
ATOM     43  CG  HIS A   3       4.246   8.189  -1.744  1.00  0.00           C
ATOM     44  ND1 HIS A   3       5.259   8.758  -1.016  1.00  0.00           N   flip
ATOM     45  CD2 HIS A   3       3.070   8.717  -1.237  1.00  0.00           C   flip
ATOM     46  CE1 HIS A   3       4.726   9.625  -0.069  1.00  0.00           C   flip
ATOM     47  NE2 HIS A   3       3.402   9.564  -0.244  1.00  0.00           N   flip
ATOM      0  H   HIS A   3       5.680   4.949  -3.006  1.00  0.00           H   new
ATOM      0  HA  HIS A   3       3.300   5.898  -1.384  1.00  0.00           H   new
ATOM      0  HB2 HIS A   3       5.250   7.134  -3.312  1.00  0.00           H   new
ATOM      0  HB3 HIS A   3       3.569   7.495  -3.652  1.00  0.00           H   new
ATOM      0  HD1 HIS A   3       6.253   8.573  -1.149  1.00  0.00           H   new
ATOM      0  HD2 HIS A   3       2.070   8.491  -1.576  1.00  0.00           H   new
ATOM      0  HE1 HIS A   3       5.266  10.220   0.653  1.00  0.00           H   new
ATOM     55  N   CYS A   4       3.348   5.001  -4.551  1.00  0.00           N
ATOM     56  CA  CYS A   4       2.508   4.299  -5.571  1.00  0.00           C
ATOM     57  C   CYS A   4       1.133   4.978  -5.692  1.00  0.00           C
ATOM     58  O   CYS A   4       0.844   5.640  -6.669  1.00  0.00           O
ATOM     59  CB  CYS A   4       2.372   2.862  -5.045  1.00  0.00           C
ATOM     60  SG  CYS A   4       0.943   2.054  -5.810  1.00  0.00           S
ATOM      0  H   CYS A   4       4.226   5.383  -4.903  1.00  0.00           H   new
ATOM      0  HA  CYS A   4       2.951   4.325  -6.566  1.00  0.00           H   new
ATOM      0  HB2 CYS A   4       3.279   2.299  -5.264  1.00  0.00           H   new
ATOM      0  HB3 CYS A   4       2.257   2.872  -3.961  1.00  0.00           H   new
ATOM     65  N   ASP A   5       0.287   4.816  -4.711  1.00  0.00           N
ATOM     66  CA  ASP A   5      -1.062   5.452  -4.775  1.00  0.00           C
ATOM     67  C   ASP A   5      -0.928   6.960  -5.012  1.00  0.00           C
ATOM     68  O   ASP A   5       0.113   7.445  -5.412  1.00  0.00           O
ATOM     69  CB  ASP A   5      -1.693   5.181  -3.408  1.00  0.00           C
ATOM     70  CG  ASP A   5      -2.225   3.748  -3.364  1.00  0.00           C
ATOM     71  OD1 ASP A   5      -2.330   3.143  -4.420  1.00  0.00           O
ATOM     72  OD2 ASP A   5      -2.517   3.279  -2.276  1.00  0.00           O
ATOM      0  H   ASP A   5       0.471   4.271  -3.868  1.00  0.00           H   new
ATOM      0  HA  ASP A   5      -1.666   5.055  -5.591  1.00  0.00           H   new
ATOM      0  HB2 ASP A   5      -0.955   5.330  -2.620  1.00  0.00           H   new
ATOM      0  HB3 ASP A   5      -2.503   5.886  -3.224  1.00  0.00           H   new
ATOM     77  N   ALA A   6      -1.971   7.706  -4.772  1.00  0.00           N
ATOM     78  CA  ALA A   6      -1.899   9.180  -4.989  1.00  0.00           C
ATOM     79  C   ALA A   6      -1.775   9.916  -3.649  1.00  0.00           C
ATOM     80  O   ALA A   6      -1.354  11.054  -3.594  1.00  0.00           O
ATOM     81  CB  ALA A   6      -3.217   9.542  -5.674  1.00  0.00           C
ATOM      0  H   ALA A   6      -2.869   7.360  -4.435  1.00  0.00           H   new
ATOM      0  HA  ALA A   6      -1.032   9.464  -5.586  1.00  0.00           H   new
ATOM      0  HB1 ALA A   6      -3.243  10.614  -5.869  1.00  0.00           H   new
ATOM      0  HB2 ALA A   6      -3.298   9.000  -6.616  1.00  0.00           H   new
ATOM      0  HB3 ALA A   6      -4.050   9.271  -5.026  1.00  0.00           H   new
ATOM     87  N   ALA A   7      -2.142   9.277  -2.572  1.00  0.00           N
ATOM     88  CA  ALA A   7      -2.048   9.947  -1.241  1.00  0.00           C
ATOM     89  C   ALA A   7      -1.453   8.995  -0.201  1.00  0.00           C
ATOM     90  O   ALA A   7      -0.286   9.069   0.127  1.00  0.00           O
ATOM     91  CB  ALA A   7      -3.490  10.298  -0.875  1.00  0.00           C
ATOM      0  H   ALA A   7      -2.502   8.323  -2.554  1.00  0.00           H   new
ATOM      0  HA  ALA A   7      -1.403  10.825  -1.270  1.00  0.00           H   new
ATOM      0  HB1 ALA A   7      -3.508  10.796   0.094  1.00  0.00           H   new
ATOM      0  HB2 ALA A   7      -3.906  10.963  -1.632  1.00  0.00           H   new
ATOM      0  HB3 ALA A   7      -4.085   9.386  -0.826  1.00  0.00           H   new
ATOM     97  N   THR A   8      -2.251   8.103   0.323  1.00  0.00           N
ATOM     98  CA  THR A   8      -1.740   7.148   1.349  1.00  0.00           C
ATOM     99  C   THR A   8      -0.345   6.646   0.963  1.00  0.00           C
ATOM    100  O   THR A   8      -0.107   6.243  -0.158  1.00  0.00           O
ATOM    101  CB  THR A   8      -2.744   5.993   1.345  1.00  0.00           C
ATOM    102  OG1 THR A   8      -4.029   6.484   1.698  1.00  0.00           O
ATOM    103  CG2 THR A   8      -2.305   4.933   2.355  1.00  0.00           C
ATOM      0  H   THR A   8      -3.237   7.994   0.084  1.00  0.00           H   new
ATOM      0  HA  THR A   8      -1.648   7.609   2.332  1.00  0.00           H   new
ATOM      0  HB  THR A   8      -2.786   5.549   0.350  1.00  0.00           H   new
ATOM      0  HG1 THR A   8      -4.674   5.746   1.694  1.00  0.00           H   new
ATOM      0 HG21 THR A   8      -3.020   4.110   2.353  1.00  0.00           H   new
ATOM      0 HG22 THR A   8      -1.319   4.558   2.083  1.00  0.00           H   new
ATOM      0 HG23 THR A   8      -2.263   5.374   3.351  1.00  0.00           H   new
ATOM    111  N   ILE A   9       0.579   6.666   1.887  1.00  0.00           N
ATOM    112  CA  ILE A   9       1.960   6.189   1.574  1.00  0.00           C
ATOM    113  C   ILE A   9       2.139   4.749   2.056  1.00  0.00           C
ATOM    114  O   ILE A   9       1.264   4.179   2.677  1.00  0.00           O
ATOM    115  CB  ILE A   9       2.904   7.122   2.344  1.00  0.00           C
ATOM    116  CG1 ILE A   9       2.336   8.545   2.367  1.00  0.00           C
ATOM    117  CG2 ILE A   9       4.271   7.137   1.660  1.00  0.00           C
ATOM    118  CD1 ILE A   9       1.830   8.866   3.774  1.00  0.00           C
ATOM      0  H   ILE A   9       0.439   6.991   2.844  1.00  0.00           H   new
ATOM      0  HA  ILE A   9       2.160   6.204   0.503  1.00  0.00           H   new
ATOM      0  HB  ILE A   9       3.004   6.760   3.367  1.00  0.00           H   new
ATOM      0 HG12 ILE A   9       3.104   9.260   2.073  1.00  0.00           H   new
ATOM      0 HG13 ILE A   9       1.523   8.636   1.646  1.00  0.00           H   new
ATOM      0 HG21 ILE A   9       4.943   7.799   2.205  1.00  0.00           H   new
ATOM      0 HG22 ILE A   9       4.684   6.128   1.650  1.00  0.00           H   new
ATOM      0 HG23 ILE A   9       4.162   7.494   0.636  1.00  0.00           H   new
ATOM      0 HD11 ILE A   9       1.425   9.878   3.793  1.00  0.00           H   new
ATOM      0 HD12 ILE A   9       1.049   8.158   4.050  1.00  0.00           H   new
ATOM      0 HD13 ILE A   9       2.655   8.792   4.483  1.00  0.00           H   new
ATOM    130  N   CYS A  10       3.268   4.159   1.780  1.00  0.00           N
ATOM    131  CA  CYS A  10       3.504   2.757   2.229  1.00  0.00           C
ATOM    132  C   CYS A  10       4.853   2.648   2.947  1.00  0.00           C
ATOM    133  O   CYS A  10       5.855   3.137   2.464  1.00  0.00           O
ATOM    134  CB  CYS A  10       3.514   1.923   0.945  1.00  0.00           C
ATOM    135  SG  CYS A  10       1.849   1.290   0.618  1.00  0.00           S
ATOM      0  H   CYS A  10       4.037   4.585   1.264  1.00  0.00           H   new
ATOM      0  HA  CYS A  10       2.742   2.418   2.931  1.00  0.00           H   new
ATOM      0  HB2 CYS A  10       3.854   2.532   0.107  1.00  0.00           H   new
ATOM      0  HB3 CYS A  10       4.216   1.095   1.043  1.00  0.00           H   new
ATOM    140  N   PRO A  11       4.830   1.999   4.081  1.00  0.00           N
ATOM    141  CA  PRO A  11       6.063   1.815   4.871  1.00  0.00           C
ATOM    142  C   PRO A  11       6.916   0.702   4.259  1.00  0.00           C
ATOM    143  O   PRO A  11       6.412  -0.183   3.598  1.00  0.00           O
ATOM    144  CB  PRO A  11       5.555   1.413   6.248  1.00  0.00           C
ATOM    145  CG  PRO A  11       4.202   0.805   6.009  1.00  0.00           C
ATOM    146  CD  PRO A  11       3.662   1.388   4.720  1.00  0.00           C
ATOM      0  HA  PRO A  11       6.691   2.705   4.902  1.00  0.00           H   new
ATOM      0  HB2 PRO A  11       6.229   0.700   6.723  1.00  0.00           H   new
ATOM      0  HB3 PRO A  11       5.487   2.276   6.910  1.00  0.00           H   new
ATOM      0  HG2 PRO A  11       4.277  -0.280   5.937  1.00  0.00           H   new
ATOM      0  HG3 PRO A  11       3.531   1.024   6.840  1.00  0.00           H   new
ATOM      0  HD2 PRO A  11       3.221   0.617   4.089  1.00  0.00           H   new
ATOM      0  HD3 PRO A  11       2.883   2.126   4.913  1.00  0.00           H   new
ATOM    154  N   ASP A  12       8.204   0.734   4.476  1.00  0.00           N
ATOM    155  CA  ASP A  12       9.077  -0.324   3.902  1.00  0.00           C
ATOM    156  C   ASP A  12       8.763  -0.518   2.419  1.00  0.00           C
ATOM    157  O   ASP A  12       7.899   0.134   1.868  1.00  0.00           O
ATOM    158  CB  ASP A  12       8.731  -1.575   4.691  1.00  0.00           C
ATOM    159  CG  ASP A  12       9.588  -1.634   5.958  1.00  0.00           C
ATOM    160  OD1 ASP A  12      10.046  -0.589   6.388  1.00  0.00           O
ATOM    161  OD2 ASP A  12       9.769  -2.724   6.477  1.00  0.00           O
ATOM      0  H   ASP A  12       8.686   1.446   5.025  1.00  0.00           H   new
ATOM      0  HA  ASP A  12      10.136  -0.076   3.969  1.00  0.00           H   new
ATOM      0  HB2 ASP A  12       7.673  -1.570   4.955  1.00  0.00           H   new
ATOM      0  HB3 ASP A  12       8.904  -2.462   4.081  1.00  0.00           H   new
ATOM    166  N   GLY A  13       9.457  -1.403   1.767  1.00  0.00           N
ATOM    167  CA  GLY A  13       9.185  -1.634   0.323  1.00  0.00           C
ATOM    168  C   GLY A  13       7.708  -1.976   0.144  1.00  0.00           C
ATOM    169  O   GLY A  13       6.958  -1.240  -0.467  1.00  0.00           O
ATOM      0  H   GLY A  13      10.199  -1.976   2.169  1.00  0.00           H   new
ATOM      0  HA2 GLY A  13       9.438  -0.745  -0.255  1.00  0.00           H   new
ATOM      0  HA3 GLY A  13       9.808  -2.446  -0.052  1.00  0.00           H   new
ATOM    173  N   THR A  14       7.282  -3.082   0.695  1.00  0.00           N
ATOM    174  CA  THR A  14       5.844  -3.484   0.581  1.00  0.00           C
ATOM    175  C   THR A  14       5.332  -3.288  -0.849  1.00  0.00           C
ATOM    176  O   THR A  14       6.057  -2.884  -1.736  1.00  0.00           O
ATOM    177  CB  THR A  14       5.094  -2.563   1.549  1.00  0.00           C
ATOM    178  OG1 THR A  14       5.760  -1.312   1.631  1.00  0.00           O
ATOM    179  CG2 THR A  14       5.049  -3.209   2.935  1.00  0.00           C
ATOM      0  H   THR A  14       7.869  -3.729   1.222  1.00  0.00           H   new
ATOM      0  HA  THR A  14       5.700  -4.538   0.820  1.00  0.00           H   new
ATOM      0  HB  THR A  14       4.078  -2.408   1.186  1.00  0.00           H   new
ATOM      0  HG1 THR A  14       6.105  -1.184   2.539  1.00  0.00           H   new
ATOM      0 HG21 THR A  14       4.516  -2.554   3.624  1.00  0.00           H   new
ATOM      0 HG22 THR A  14       4.534  -4.168   2.873  1.00  0.00           H   new
ATOM      0 HG23 THR A  14       6.065  -3.366   3.297  1.00  0.00           H   new
ATOM    187  N   THR A  15       4.086  -3.588  -1.078  1.00  0.00           N
ATOM    188  CA  THR A  15       3.515  -3.429  -2.443  1.00  0.00           C
ATOM    189  C   THR A  15       2.127  -2.785  -2.364  1.00  0.00           C
ATOM    190  O   THR A  15       1.448  -2.873  -1.361  1.00  0.00           O
ATOM    191  CB  THR A  15       3.413  -4.851  -2.988  1.00  0.00           C
ATOM    192  OG1 THR A  15       2.893  -4.817  -4.310  1.00  0.00           O
ATOM    193  CG2 THR A  15       2.487  -5.675  -2.094  1.00  0.00           C
ATOM      0  H   THR A  15       3.435  -3.938  -0.375  1.00  0.00           H   new
ATOM      0  HA  THR A  15       4.126  -2.787  -3.078  1.00  0.00           H   new
ATOM      0  HB  THR A  15       4.403  -5.307  -3.001  1.00  0.00           H   new
ATOM      0  HG1 THR A  15       2.829  -5.730  -4.660  1.00  0.00           H   new
ATOM      0 HG21 THR A  15       2.414  -6.690  -2.483  1.00  0.00           H   new
ATOM      0 HG22 THR A  15       2.889  -5.703  -1.081  1.00  0.00           H   new
ATOM      0 HG23 THR A  15       1.496  -5.220  -2.079  1.00  0.00           H   new
ATOM    201  N   CYS A  16       1.701  -2.141  -3.416  1.00  0.00           N
ATOM    202  CA  CYS A  16       0.356  -1.496  -3.401  1.00  0.00           C
ATOM    203  C   CYS A  16      -0.741  -2.561  -3.404  1.00  0.00           C
ATOM    204  O   CYS A  16      -0.760  -3.444  -4.239  1.00  0.00           O
ATOM    205  CB  CYS A  16       0.296  -0.676  -4.686  1.00  0.00           C
ATOM    206  SG  CYS A  16       0.063   1.071  -4.281  1.00  0.00           S
ATOM      0  H   CYS A  16       2.225  -2.033  -4.285  1.00  0.00           H   new
ATOM      0  HA  CYS A  16       0.206  -0.882  -2.513  1.00  0.00           H   new
ATOM      0  HB2 CYS A  16       1.215  -0.808  -5.257  1.00  0.00           H   new
ATOM      0  HB3 CYS A  16      -0.523  -1.026  -5.315  1.00  0.00           H   new
ATOM    211  N   SER A  17      -1.660  -2.481  -2.486  1.00  0.00           N
ATOM    212  CA  SER A  17      -2.759  -3.485  -2.448  1.00  0.00           C
ATOM    213  C   SER A  17      -4.073  -2.814  -2.048  1.00  0.00           C
ATOM    214  O   SER A  17      -4.164  -2.165  -1.027  1.00  0.00           O
ATOM    215  CB  SER A  17      -2.333  -4.499  -1.390  1.00  0.00           C
ATOM    216  OG  SER A  17      -0.982  -4.877  -1.618  1.00  0.00           O
ATOM      0  H   SER A  17      -1.699  -1.765  -1.760  1.00  0.00           H   new
ATOM      0  HA  SER A  17      -2.924  -3.954  -3.418  1.00  0.00           H   new
ATOM      0  HB2 SER A  17      -2.439  -4.069  -0.394  1.00  0.00           H   new
ATOM      0  HB3 SER A  17      -2.979  -5.376  -1.429  1.00  0.00           H   new
ATOM      0  HG  SER A  17      -0.950  -5.805  -1.932  1.00  0.00           H   new
ATOM    222  N   LEU A  18      -5.092  -2.962  -2.847  1.00  0.00           N
ATOM    223  CA  LEU A  18      -6.397  -2.330  -2.509  1.00  0.00           C
ATOM    224  C   LEU A  18      -7.355  -3.373  -1.933  1.00  0.00           C
ATOM    225  O   LEU A  18      -7.442  -4.485  -2.417  1.00  0.00           O
ATOM    226  CB  LEU A  18      -6.930  -1.784  -3.833  1.00  0.00           C
ATOM    227  CG  LEU A  18      -7.512  -0.383  -3.616  1.00  0.00           C
ATOM    228  CD1 LEU A  18      -8.403  -0.012  -4.801  1.00  0.00           C
ATOM    229  CD2 LEU A  18      -8.346  -0.362  -2.330  1.00  0.00           C
ATOM      0  H   LEU A  18      -5.078  -3.492  -3.718  1.00  0.00           H   new
ATOM      0  HA  LEU A  18      -6.294  -1.546  -1.759  1.00  0.00           H   new
ATOM      0  HB2 LEU A  18      -6.128  -1.745  -4.571  1.00  0.00           H   new
ATOM      0  HB3 LEU A  18      -7.697  -2.450  -4.230  1.00  0.00           H   new
ATOM      0  HG  LEU A  18      -6.696   0.335  -3.531  1.00  0.00           H   new
ATOM      0 HD11 LEU A  18      -8.817   0.984  -4.647  1.00  0.00           H   new
ATOM      0 HD12 LEU A  18      -7.813  -0.022  -5.717  1.00  0.00           H   new
ATOM      0 HD13 LEU A  18      -9.216  -0.734  -4.885  1.00  0.00           H   new
ATOM      0 HD21 LEU A  18      -8.758   0.636  -2.180  1.00  0.00           H   new
ATOM      0 HD22 LEU A  18      -9.160  -1.082  -2.413  1.00  0.00           H   new
ATOM      0 HD23 LEU A  18      -7.714  -0.625  -1.482  1.00  0.00           H   new
ATOM    241  N   SER A  19      -8.070  -3.026  -0.901  1.00  0.00           N
ATOM    242  CA  SER A  19      -9.017  -3.994  -0.288  1.00  0.00           C
ATOM    243  C   SER A  19     -10.304  -4.073  -1.108  1.00  0.00           C
ATOM    244  O   SER A  19     -10.554  -3.244  -1.963  1.00  0.00           O
ATOM    245  CB  SER A  19      -9.304  -3.430   1.099  1.00  0.00           C
ATOM    246  OG  SER A  19     -10.506  -2.672   1.061  1.00  0.00           O
ATOM      0  H   SER A  19      -8.038  -2.109  -0.454  1.00  0.00           H   new
ATOM      0  HA  SER A  19      -8.607  -5.003  -0.247  1.00  0.00           H   new
ATOM      0  HB2 SER A  19      -9.395  -4.241   1.822  1.00  0.00           H   new
ATOM      0  HB3 SER A  19      -8.475  -2.802   1.427  1.00  0.00           H   new
ATOM      0  HG  SER A  19     -11.108  -2.978   1.771  1.00  0.00           H   new
ATOM    252  N   PRO A  20     -11.085  -5.073  -0.811  1.00  0.00           N
ATOM    253  CA  PRO A  20     -12.363  -5.276  -1.523  1.00  0.00           C
ATOM    254  C   PRO A  20     -13.356  -4.181  -1.142  1.00  0.00           C
ATOM    255  O   PRO A  20     -14.413  -4.055  -1.726  1.00  0.00           O
ATOM    256  CB  PRO A  20     -12.837  -6.642  -1.038  1.00  0.00           C
ATOM    257  CG  PRO A  20     -12.160  -6.838   0.284  1.00  0.00           C
ATOM    258  CD  PRO A  20     -10.853  -6.084   0.219  1.00  0.00           C
ATOM      0  HA  PRO A  20     -12.264  -5.234  -2.608  1.00  0.00           H   new
ATOM      0  HB2 PRO A  20     -13.922  -6.670  -0.934  1.00  0.00           H   new
ATOM      0  HB3 PRO A  20     -12.564  -7.428  -1.742  1.00  0.00           H   new
ATOM      0  HG2 PRO A  20     -12.783  -6.464   1.097  1.00  0.00           H   new
ATOM      0  HG3 PRO A  20     -11.987  -7.897   0.477  1.00  0.00           H   new
ATOM      0  HD2 PRO A  20     -10.606  -5.629   1.178  1.00  0.00           H   new
ATOM      0  HD3 PRO A  20     -10.025  -6.741  -0.045  1.00  0.00           H   new
ATOM    266  N   TYR A  21     -13.011  -3.375  -0.178  1.00  0.00           N
ATOM    267  CA  TYR A  21     -13.921  -2.270   0.230  1.00  0.00           C
ATOM    268  C   TYR A  21     -13.394  -0.941  -0.317  1.00  0.00           C
ATOM    269  O   TYR A  21     -14.000   0.097  -0.142  1.00  0.00           O
ATOM    270  CB  TYR A  21     -13.894  -2.262   1.765  1.00  0.00           C
ATOM    271  CG  TYR A  21     -13.789  -3.676   2.288  1.00  0.00           C
ATOM    272  CD1 TYR A  21     -14.737  -4.636   1.917  1.00  0.00           C
ATOM    273  CD2 TYR A  21     -12.740  -4.024   3.147  1.00  0.00           C
ATOM    274  CE1 TYR A  21     -14.638  -5.944   2.406  1.00  0.00           C
ATOM    275  CE2 TYR A  21     -12.640  -5.331   3.636  1.00  0.00           C
ATOM    276  CZ  TYR A  21     -13.589  -6.292   3.266  1.00  0.00           C
ATOM    277  OH  TYR A  21     -13.490  -7.581   3.747  1.00  0.00           O
ATOM      0  H   TYR A  21     -12.137  -3.434   0.345  1.00  0.00           H   new
ATOM      0  HA  TYR A  21     -14.932  -2.406  -0.153  1.00  0.00           H   new
ATOM      0  HB2 TYR A  21     -13.049  -1.671   2.119  1.00  0.00           H   new
ATOM      0  HB3 TYR A  21     -14.797  -1.789   2.150  1.00  0.00           H   new
ATOM      0  HD1 TYR A  21     -15.545  -4.368   1.253  1.00  0.00           H   new
ATOM      0  HD2 TYR A  21     -12.008  -3.283   3.432  1.00  0.00           H   new
ATOM      0  HE1 TYR A  21     -15.370  -6.684   2.120  1.00  0.00           H   new
ATOM      0  HE2 TYR A  21     -11.831  -5.599   4.299  1.00  0.00           H   new
ATOM      0  HH  TYR A  21     -12.705  -7.654   4.329  1.00  0.00           H   new
ATOM    287  N   GLY A  22     -12.263  -0.967  -0.975  1.00  0.00           N
ATOM    288  CA  GLY A  22     -11.695   0.294  -1.529  1.00  0.00           C
ATOM    289  C   GLY A  22     -10.686   0.877  -0.536  1.00  0.00           C
ATOM    290  O   GLY A  22     -10.432   2.066  -0.521  1.00  0.00           O
ATOM      0  H   GLY A  22     -11.711  -1.806  -1.151  1.00  0.00           H   new
ATOM      0  HA2 GLY A  22     -11.209   0.098  -2.485  1.00  0.00           H   new
ATOM      0  HA3 GLY A  22     -12.492   1.013  -1.718  1.00  0.00           H   new
ATOM    294  N   VAL A  23     -10.111   0.051   0.295  1.00  0.00           N
ATOM    295  CA  VAL A  23      -9.120   0.560   1.288  1.00  0.00           C
ATOM    296  C   VAL A  23      -7.693   0.405   0.747  1.00  0.00           C
ATOM    297  O   VAL A  23      -7.212  -0.692   0.546  1.00  0.00           O
ATOM    298  CB  VAL A  23      -9.316  -0.314   2.527  1.00  0.00           C
ATOM    299  CG1 VAL A  23      -8.212  -0.012   3.542  1.00  0.00           C
ATOM    300  CG2 VAL A  23     -10.680  -0.015   3.153  1.00  0.00           C
ATOM      0  H   VAL A  23     -10.284  -0.954   0.330  1.00  0.00           H   new
ATOM      0  HA  VAL A  23      -9.264   1.618   1.505  1.00  0.00           H   new
ATOM      0  HB  VAL A  23      -9.271  -1.365   2.241  1.00  0.00           H   new
ATOM      0 HG11 VAL A  23      -8.350  -0.634   4.426  1.00  0.00           H   new
ATOM      0 HG12 VAL A  23      -7.240  -0.225   3.097  1.00  0.00           H   new
ATOM      0 HG13 VAL A  23      -8.258   1.039   3.827  1.00  0.00           H   new
ATOM      0 HG21 VAL A  23     -10.819  -0.638   4.036  1.00  0.00           H   new
ATOM      0 HG22 VAL A  23     -10.726   1.036   3.439  1.00  0.00           H   new
ATOM      0 HG23 VAL A  23     -11.467  -0.229   2.430  1.00  0.00           H   new
ATOM    310  N   TRP A  24      -7.016   1.496   0.513  1.00  0.00           N
ATOM    311  CA  TRP A  24      -5.621   1.411  -0.012  1.00  0.00           C
ATOM    312  C   TRP A  24      -4.652   1.025   1.109  1.00  0.00           C
ATOM    313  O   TRP A  24      -4.563   1.693   2.121  1.00  0.00           O
ATOM    314  CB  TRP A  24      -5.307   2.819  -0.522  1.00  0.00           C
ATOM    315  CG  TRP A  24      -5.418   2.853  -2.012  1.00  0.00           C
ATOM    316  CD1 TRP A  24      -5.949   3.874  -2.725  1.00  0.00           C
ATOM    317  CD2 TRP A  24      -4.996   1.851  -2.983  1.00  0.00           C
ATOM    318  NE1 TRP A  24      -5.885   3.559  -4.071  1.00  0.00           N
ATOM    319  CE2 TRP A  24      -5.306   2.322  -4.280  1.00  0.00           C
ATOM    320  CE3 TRP A  24      -4.382   0.589  -2.865  1.00  0.00           C
ATOM    321  CZ2 TRP A  24      -5.019   1.572  -5.419  1.00  0.00           C
ATOM    322  CZ3 TRP A  24      -4.091  -0.170  -4.013  1.00  0.00           C
ATOM    323  CH2 TRP A  24      -4.409   0.324  -5.287  1.00  0.00           C
ATOM      0  H   TRP A  24      -7.367   2.442   0.662  1.00  0.00           H   new
ATOM      0  HA  TRP A  24      -5.521   0.657  -0.793  1.00  0.00           H   new
ATOM      0  HB2 TRP A  24      -5.997   3.538  -0.080  1.00  0.00           H   new
ATOM      0  HB3 TRP A  24      -4.302   3.111  -0.216  1.00  0.00           H   new
ATOM      0  HD1 TRP A  24      -6.356   4.785  -2.311  1.00  0.00           H   new
ATOM      0  HE1 TRP A  24      -6.224   4.166  -4.818  1.00  0.00           H   new
ATOM      0  HE3 TRP A  24      -4.133   0.202  -1.888  1.00  0.00           H   new
ATOM      0  HZ2 TRP A  24      -5.267   1.954  -6.398  1.00  0.00           H   new
ATOM      0  HZ3 TRP A  24      -3.621  -1.137  -3.913  1.00  0.00           H   new
ATOM      0  HH2 TRP A  24      -4.182  -0.262  -6.166  1.00  0.00           H   new
ATOM    334  N   TYR A  25      -3.917  -0.039   0.936  1.00  0.00           N
ATOM    335  CA  TYR A  25      -2.948  -0.451   1.992  1.00  0.00           C
ATOM    336  C   TYR A  25      -1.722  -1.115   1.358  1.00  0.00           C
ATOM    337  O   TYR A  25      -1.672  -1.342   0.165  1.00  0.00           O
ATOM    338  CB  TYR A  25      -3.713  -1.444   2.876  1.00  0.00           C
ATOM    339  CG  TYR A  25      -3.797  -2.786   2.189  1.00  0.00           C
ATOM    340  CD1 TYR A  25      -4.827  -3.044   1.278  1.00  0.00           C
ATOM    341  CD2 TYR A  25      -2.848  -3.777   2.473  1.00  0.00           C
ATOM    342  CE1 TYR A  25      -4.907  -4.291   0.646  1.00  0.00           C
ATOM    343  CE2 TYR A  25      -2.929  -5.024   1.843  1.00  0.00           C
ATOM    344  CZ  TYR A  25      -3.958  -5.281   0.929  1.00  0.00           C
ATOM    345  OH  TYR A  25      -4.039  -6.512   0.310  1.00  0.00           O
ATOM      0  H   TYR A  25      -3.945  -0.640   0.112  1.00  0.00           H   new
ATOM      0  HA  TYR A  25      -2.581   0.398   2.568  1.00  0.00           H   new
ATOM      0  HB2 TYR A  25      -3.211  -1.549   3.838  1.00  0.00           H   new
ATOM      0  HB3 TYR A  25      -4.715  -1.066   3.079  1.00  0.00           H   new
ATOM      0  HD1 TYR A  25      -5.561  -2.281   1.062  1.00  0.00           H   new
ATOM      0  HD2 TYR A  25      -2.054  -3.579   3.178  1.00  0.00           H   new
ATOM      0  HE1 TYR A  25      -5.700  -4.489  -0.059  1.00  0.00           H   new
ATOM      0  HE2 TYR A  25      -2.198  -5.788   2.062  1.00  0.00           H   new
ATOM      0  HH  TYR A  25      -3.303  -7.082   0.617  1.00  0.00           H   new
ATOM    355  N   CYS A  26      -0.727  -1.409   2.147  1.00  0.00           N
ATOM    356  CA  CYS A  26       0.507  -2.038   1.589  1.00  0.00           C
ATOM    357  C   CYS A  26       0.565  -3.519   1.971  1.00  0.00           C
ATOM    358  O   CYS A  26       0.116  -3.916   3.028  1.00  0.00           O
ATOM    359  CB  CYS A  26       1.677  -1.274   2.231  1.00  0.00           C
ATOM    360  SG  CYS A  26       1.263   0.488   2.376  1.00  0.00           S
ATOM      0  H   CYS A  26      -0.713  -1.242   3.153  1.00  0.00           H   new
ATOM      0  HA  CYS A  26       0.536  -1.986   0.501  1.00  0.00           H   new
ATOM      0  HB2 CYS A  26       1.895  -1.687   3.216  1.00  0.00           H   new
ATOM      0  HB3 CYS A  26       2.577  -1.396   1.628  1.00  0.00           H   new
ATOM    365  N   SER A  27       1.116  -4.338   1.120  1.00  0.00           N
ATOM    366  CA  SER A  27       1.204  -5.792   1.434  1.00  0.00           C
ATOM    367  C   SER A  27       2.627  -6.302   1.198  1.00  0.00           C
ATOM    368  O   SER A  27       3.332  -5.803   0.344  1.00  0.00           O
ATOM    369  CB  SER A  27       0.230  -6.464   0.470  1.00  0.00           C
ATOM    370  OG  SER A  27      -0.312  -7.626   1.081  1.00  0.00           O
ATOM      0  H   SER A  27       1.510  -4.064   0.220  1.00  0.00           H   new
ATOM      0  HA  SER A  27       0.961  -6.003   2.475  1.00  0.00           H   new
ATOM      0  HB2 SER A  27      -0.570  -5.773   0.203  1.00  0.00           H   new
ATOM      0  HB3 SER A  27       0.742  -6.731  -0.454  1.00  0.00           H   new
ATOM      0  HG  SER A  27      -0.939  -8.058   0.464  1.00  0.00           H   new
ATOM    376  N   PRO A  28       2.998  -7.284   1.969  1.00  0.00           N
ATOM    377  CA  PRO A  28       4.347  -7.877   1.849  1.00  0.00           C
ATOM    378  C   PRO A  28       4.436  -8.745   0.591  1.00  0.00           C
ATOM    379  O   PRO A  28       3.619  -9.615   0.367  1.00  0.00           O
ATOM    380  CB  PRO A  28       4.481  -8.730   3.104  1.00  0.00           C
ATOM    381  CG  PRO A  28       3.074  -9.058   3.505  1.00  0.00           C
ATOM    382  CD  PRO A  28       2.199  -7.926   3.016  1.00  0.00           C
ATOM      0  HA  PRO A  28       5.136  -7.130   1.763  1.00  0.00           H   new
ATOM      0  HB2 PRO A  28       5.056  -9.635   2.906  1.00  0.00           H   new
ATOM      0  HB3 PRO A  28       5.000  -8.189   3.895  1.00  0.00           H   new
ATOM      0  HG2 PRO A  28       2.759 -10.005   3.067  1.00  0.00           H   new
ATOM      0  HG3 PRO A  28       2.997  -9.165   4.587  1.00  0.00           H   new
ATOM      0  HD2 PRO A  28       1.251  -8.295   2.624  1.00  0.00           H   new
ATOM      0  HD3 PRO A  28       1.962  -7.229   3.820  1.00  0.00           H   new
ATOM    390  N   PHE A  29       5.420  -8.514  -0.233  1.00  0.00           N
ATOM    391  CA  PHE A  29       5.555  -9.325  -1.478  1.00  0.00           C
ATOM    392  C   PHE A  29       6.732 -10.296  -1.355  1.00  0.00           C
ATOM    393  O   PHE A  29       7.501 -10.242  -0.416  1.00  0.00           O
ATOM    394  CB  PHE A  29       5.815  -8.305  -2.587  1.00  0.00           C
ATOM    395  CG  PHE A  29       6.964  -7.409  -2.191  1.00  0.00           C
ATOM    396  CD1 PHE A  29       8.276  -7.894  -2.222  1.00  0.00           C
ATOM    397  CD2 PHE A  29       6.717  -6.088  -1.799  1.00  0.00           C
ATOM    398  CE1 PHE A  29       9.339  -7.060  -1.860  1.00  0.00           C
ATOM    399  CE2 PHE A  29       7.779  -5.254  -1.439  1.00  0.00           C
ATOM    400  CZ  PHE A  29       9.091  -5.739  -1.469  1.00  0.00           C
ATOM      0  H   PHE A  29       6.136  -7.800  -0.100  1.00  0.00           H   new
ATOM      0  HA  PHE A  29       4.668  -9.927  -1.676  1.00  0.00           H   new
ATOM      0  HB2 PHE A  29       6.046  -8.818  -3.520  1.00  0.00           H   new
ATOM      0  HB3 PHE A  29       4.920  -7.709  -2.764  1.00  0.00           H   new
ATOM      0  HD1 PHE A  29       8.468  -8.913  -2.525  1.00  0.00           H   new
ATOM      0  HD2 PHE A  29       5.705  -5.713  -1.775  1.00  0.00           H   new
ATOM      0  HE1 PHE A  29      10.351  -7.435  -1.882  1.00  0.00           H   new
ATOM      0  HE2 PHE A  29       7.587  -4.235  -1.138  1.00  0.00           H   new
ATOM      0  HZ  PHE A  29       9.912  -5.095  -1.191  1.00  0.00           H   new
ATOM    410  N   SER A  30       6.876 -11.187  -2.299  1.00  0.00           N
ATOM    411  CA  SER A  30       8.000 -12.164  -2.238  1.00  0.00           C
ATOM    412  C   SER A  30       7.978 -12.915  -0.904  1.00  0.00           C
ATOM    413  O   SER A  30       7.143 -13.792  -0.753  1.00  0.00           O
ATOM    414  CB  SER A  30       9.264 -11.315  -2.354  1.00  0.00           C
ATOM    415  OG  SER A  30      10.403 -12.167  -2.386  1.00  0.00           O
ATOM    416  OXT SER A  30       8.797 -12.601  -0.056  1.00  0.00           O
ATOM      0  H   SER A  30       6.264 -11.280  -3.109  1.00  0.00           H   new
ATOM      0  HA  SER A  30       7.938 -12.916  -3.025  1.00  0.00           H   new
ATOM      0  HB2 SER A  30       9.225 -10.707  -3.258  1.00  0.00           H   new
ATOM      0  HB3 SER A  30       9.333 -10.628  -1.510  1.00  0.00           H   new
ATOM      0  HG  SER A  30      11.215 -11.624  -2.462  1.00  0.00           H   new
TER     422      SER A  30