USER  MOD reduce.3.24.130724 H: found=0, std=0, add=342, rem=0, adj=9
USER  MOD reduce.3.24.130724 removed 343 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  20 ASN     :FLIP  amide:sc=  -0.241  F(o=-1.3,f=-0.62)
USER  MOD Set 1.2: A  21 ASN     :      amide:sc=  -0.382  K(o=-0.62,f=-4.8!)
USER  MOD Single : A  15 ASN     :      amide:sc=       0  X(o=0,f=0)
USER  MOD Single : A  17 TYR OH  :   rot  180:sc=       0
USER  MOD Single : A  23 TYR OH  :   rot  180:sc=       0
USER  MOD Single : A  24 TYR OH  :   rot  180:sc=       0
USER  MOD Single : A  25 CYS SG  :   rot  -10:sc=  -0.221!
USER  MOD Single : A  26 TYR OH  :   rot   30:sc=  -0.339
USER  MOD Single : A  31 THR OG1 :   rot  180:sc= -0.0821
USER  MOD Single : A  33 LYS NZ  :NH3+    180:sc=       0   (180deg=0)
USER  MOD Single : A  46 THR OG1 :   rot  180:sc=       0
USER  MOD Single : A  50 GLN     :FLIP  amide:sc=       0  F(o=-0.75,f=0)
USER  MOD Single : A  52 ASN     :      amide:sc=  -0.184  K(o=-0.18,f=-1.5!)
USER  MOD -----------------------------------------------------------------
ATOM     13  N   LEU A  12       4.527   3.243   9.005  1.00  0.00           N
ATOM     14  CA  LEU A  12       3.916   3.364   7.654  1.00  0.00           C
ATOM     15  C   LEU A  12       2.446   2.914   7.716  1.00  0.00           C
ATOM     16  O   LEU A  12       2.094   2.072   8.519  1.00  0.00           O
ATOM     17  CB  LEU A  12       4.676   2.455   6.685  1.00  0.00           C
ATOM     18  CG  LEU A  12       6.180   2.724   6.780  1.00  0.00           C
ATOM     19  CD1 LEU A  12       6.913   1.817   5.786  1.00  0.00           C
ATOM     20  CD2 LEU A  12       6.469   4.195   6.444  1.00  0.00           C
ATOM      0  HA  LEU A  12       3.968   4.399   7.317  1.00  0.00           H   new
ATOM      0  HB2 LEU A  12       4.470   1.410   6.917  1.00  0.00           H   new
ATOM      0  HB3 LEU A  12       4.331   2.629   5.666  1.00  0.00           H   new
ATOM      0  HG  LEU A  12       6.524   2.517   7.793  1.00  0.00           H   new
ATOM      0 HD11 LEU A  12       7.985   2.002   5.847  1.00  0.00           H   new
ATOM      0 HD12 LEU A  12       6.711   0.774   6.028  1.00  0.00           H   new
ATOM      0 HD13 LEU A  12       6.565   2.029   4.775  1.00  0.00           H   new
ATOM      0 HD21 LEU A  12       7.541   4.380   6.513  1.00  0.00           H   new
ATOM      0 HD22 LEU A  12       6.128   4.411   5.431  1.00  0.00           H   new
ATOM      0 HD23 LEU A  12       5.943   4.839   7.149  1.00  0.00           H   new
ATOM     32  N   PRO A  13       1.588   3.453   6.875  1.00  0.00           N
ATOM     33  CA  PRO A  13       0.149   3.065   6.856  1.00  0.00           C
ATOM     34  C   PRO A  13      -0.028   1.546   7.034  1.00  0.00           C
ATOM     35  O   PRO A  13       0.877   0.782   6.767  1.00  0.00           O
ATOM     36  CB  PRO A  13      -0.317   3.509   5.462  1.00  0.00           C
ATOM     37  CG  PRO A  13       0.549   4.682   5.118  1.00  0.00           C
ATOM     38  CD  PRO A  13       1.883   4.485   5.857  1.00  0.00           C
ATOM      0  HA  PRO A  13      -0.420   3.520   7.667  1.00  0.00           H   new
ATOM      0  HB2 PRO A  13      -0.202   2.707   4.733  1.00  0.00           H   new
ATOM      0  HB3 PRO A  13      -1.371   3.785   5.468  1.00  0.00           H   new
ATOM      0  HG2 PRO A  13       0.709   4.741   4.041  1.00  0.00           H   new
ATOM      0  HG3 PRO A  13       0.074   5.615   5.421  1.00  0.00           H   new
ATOM      0  HD2 PRO A  13       2.670   4.159   5.177  1.00  0.00           H   new
ATOM      0  HD3 PRO A  13       2.223   5.412   6.318  1.00  0.00           H   new
ATOM     46  N   PRO A  14      -1.179   1.110   7.486  1.00  0.00           N
ATOM     47  CA  PRO A  14      -1.453  -0.342   7.699  1.00  0.00           C
ATOM     48  C   PRO A  14      -1.527  -1.117   6.376  1.00  0.00           C
ATOM     49  O   PRO A  14      -1.688  -0.545   5.317  1.00  0.00           O
ATOM     50  CB  PRO A  14      -2.804  -0.357   8.432  1.00  0.00           C
ATOM     51  CG  PRO A  14      -3.466   0.921   8.035  1.00  0.00           C
ATOM     52  CD  PRO A  14      -2.343   1.941   7.842  1.00  0.00           C
ATOM      0  HA  PRO A  14      -0.659  -0.831   8.263  1.00  0.00           H   new
ATOM      0  HB2 PRO A  14      -3.403  -1.220   8.141  1.00  0.00           H   new
ATOM      0  HB3 PRO A  14      -2.668  -0.413   9.512  1.00  0.00           H   new
ATOM      0  HG2 PRO A  14      -4.039   0.794   7.116  1.00  0.00           H   new
ATOM      0  HG3 PRO A  14      -4.165   1.252   8.803  1.00  0.00           H   new
ATOM      0  HD2 PRO A  14      -2.581   2.656   7.054  1.00  0.00           H   new
ATOM      0  HD3 PRO A  14      -2.163   2.516   8.750  1.00  0.00           H   new
ATOM     60  N   ASN A  15      -1.408  -2.416   6.438  1.00  0.00           N
ATOM     61  CA  ASN A  15      -1.468  -3.241   5.196  1.00  0.00           C
ATOM     62  C   ASN A  15      -0.470  -2.715   4.162  1.00  0.00           C
ATOM     63  O   ASN A  15      -0.654  -2.882   2.972  1.00  0.00           O
ATOM     64  CB  ASN A  15      -2.883  -3.190   4.615  1.00  0.00           C
ATOM     65  CG  ASN A  15      -3.828  -4.009   5.496  1.00  0.00           C
ATOM     66  OD1 ASN A  15      -3.963  -5.203   5.316  1.00  0.00           O
ATOM     67  ND2 ASN A  15      -4.490  -3.414   6.450  1.00  0.00           N
ATOM      0  H   ASN A  15      -1.271  -2.944   7.300  1.00  0.00           H   new
ATOM      0  HA  ASN A  15      -1.211  -4.271   5.443  1.00  0.00           H   new
ATOM      0  HB2 ASN A  15      -3.227  -2.157   4.557  1.00  0.00           H   new
ATOM      0  HB3 ASN A  15      -2.884  -3.584   3.599  1.00  0.00           H   new
ATOM      0 HD21 ASN A  15      -5.121  -3.951   7.045  1.00  0.00           H   new
ATOM      0 HD22 ASN A  15      -4.377  -2.412   6.601  1.00  0.00           H   new
ATOM     74  N   LEU A  16       0.595  -2.091   4.604  1.00  0.00           N
ATOM     75  CA  LEU A  16       1.623  -1.563   3.648  1.00  0.00           C
ATOM     76  C   LEU A  16       3.013  -1.891   4.189  1.00  0.00           C
ATOM     77  O   LEU A  16       3.221  -1.958   5.384  1.00  0.00           O
ATOM     78  CB  LEU A  16       1.469  -0.042   3.498  1.00  0.00           C
ATOM     79  CG  LEU A  16       2.550   0.515   2.525  1.00  0.00           C
ATOM     80  CD1 LEU A  16       1.947   1.620   1.644  1.00  0.00           C
ATOM     81  CD2 LEU A  16       3.740   1.100   3.316  1.00  0.00           C
ATOM      0  H   LEU A  16       0.799  -1.923   5.589  1.00  0.00           H   new
ATOM      0  HA  LEU A  16       1.487  -2.026   2.671  1.00  0.00           H   new
ATOM      0  HB2 LEU A  16       0.474   0.195   3.121  1.00  0.00           H   new
ATOM      0  HB3 LEU A  16       1.564   0.438   4.472  1.00  0.00           H   new
ATOM      0  HG  LEU A  16       2.900  -0.306   1.900  1.00  0.00           H   new
ATOM      0 HD11 LEU A  16       2.711   2.003   0.967  1.00  0.00           H   new
ATOM      0 HD12 LEU A  16       1.120   1.212   1.064  1.00  0.00           H   new
ATOM      0 HD13 LEU A  16       1.582   2.430   2.275  1.00  0.00           H   new
ATOM      0 HD21 LEU A  16       4.486   1.485   2.620  1.00  0.00           H   new
ATOM      0 HD22 LEU A  16       3.389   1.910   3.956  1.00  0.00           H   new
ATOM      0 HD23 LEU A  16       4.187   0.319   3.932  1.00  0.00           H   new
ATOM     93  N   TYR A  17       3.968  -2.109   3.317  1.00  0.00           N
ATOM     94  CA  TYR A  17       5.351  -2.450   3.780  1.00  0.00           C
ATOM     95  C   TYR A  17       6.394  -1.713   2.952  1.00  0.00           C
ATOM     96  O   TYR A  17       6.099  -0.801   2.204  1.00  0.00           O
ATOM     97  CB  TYR A  17       5.578  -3.947   3.609  1.00  0.00           C
ATOM     98  CG  TYR A  17       4.427  -4.685   4.227  1.00  0.00           C
ATOM     99  CD1 TYR A  17       3.222  -4.803   3.531  1.00  0.00           C
ATOM    100  CD2 TYR A  17       4.563  -5.240   5.499  1.00  0.00           C
ATOM    101  CE1 TYR A  17       2.144  -5.480   4.107  1.00  0.00           C
ATOM    102  CE2 TYR A  17       3.488  -5.921   6.082  1.00  0.00           C
ATOM    103  CZ  TYR A  17       2.277  -6.042   5.385  1.00  0.00           C
ATOM    104  OH  TYR A  17       1.215  -6.710   5.958  1.00  0.00           O
ATOM      0  H   TYR A  17       3.850  -2.066   2.305  1.00  0.00           H   new
ATOM      0  HA  TYR A  17       5.448  -2.157   4.825  1.00  0.00           H   new
ATOM      0  HB2 TYR A  17       5.663  -4.197   2.552  1.00  0.00           H   new
ATOM      0  HB3 TYR A  17       6.514  -4.243   4.083  1.00  0.00           H   new
ATOM      0  HD1 TYR A  17       3.123  -4.370   2.546  1.00  0.00           H   new
ATOM      0  HD2 TYR A  17       5.497  -5.145   6.034  1.00  0.00           H   new
ATOM      0  HE1 TYR A  17       1.211  -5.570   3.570  1.00  0.00           H   new
ATOM      0  HE2 TYR A  17       3.591  -6.352   7.067  1.00  0.00           H   new
ATOM      0  HH  TYR A  17       1.475  -7.039   6.844  1.00  0.00           H   new
ATOM    114  N   ILE A  18       7.623  -2.132   3.086  1.00  0.00           N
ATOM    115  CA  ILE A  18       8.744  -1.502   2.319  1.00  0.00           C
ATOM    116  C   ILE A  18       9.644  -2.623   1.780  1.00  0.00           C
ATOM    117  O   ILE A  18       9.959  -3.565   2.480  1.00  0.00           O
ATOM    118  CB  ILE A  18       9.525  -0.543   3.265  1.00  0.00           C
ATOM    119  CG1 ILE A  18       9.912   0.754   2.527  1.00  0.00           C
ATOM    120  CG2 ILE A  18      10.791  -1.204   3.839  1.00  0.00           C
ATOM    121  CD1 ILE A  18      10.853   0.460   1.354  1.00  0.00           C
ATOM      0  H   ILE A  18       7.905  -2.894   3.702  1.00  0.00           H   new
ATOM      0  HA  ILE A  18       8.373  -0.917   1.478  1.00  0.00           H   new
ATOM      0  HB  ILE A  18       8.860  -0.306   4.095  1.00  0.00           H   new
ATOM      0 HG12 ILE A  18       9.013   1.250   2.161  1.00  0.00           H   new
ATOM      0 HG13 ILE A  18      10.395   1.441   3.222  1.00  0.00           H   new
ATOM      0 HG21 ILE A  18      11.305  -0.499   4.493  1.00  0.00           H   new
ATOM      0 HG22 ILE A  18      10.512  -2.091   4.408  1.00  0.00           H   new
ATOM      0 HG23 ILE A  18      11.454  -1.491   3.023  1.00  0.00           H   new
ATOM      0 HD11 ILE A  18      11.110   1.392   0.851  1.00  0.00           H   new
ATOM      0 HD12 ILE A  18      11.761  -0.014   1.726  1.00  0.00           H   new
ATOM      0 HD13 ILE A  18      10.358  -0.208   0.649  1.00  0.00           H   new
ATOM    133  N   ARG A  19      10.058  -2.537   0.545  1.00  0.00           N
ATOM    134  CA  ARG A  19      10.933  -3.608  -0.022  1.00  0.00           C
ATOM    135  C   ARG A  19      12.397  -3.269   0.257  1.00  0.00           C
ATOM    136  O   ARG A  19      12.801  -2.124   0.207  1.00  0.00           O
ATOM    137  CB  ARG A  19      10.715  -3.710  -1.534  1.00  0.00           C
ATOM    138  CG  ARG A  19      11.488  -4.915  -2.081  1.00  0.00           C
ATOM    139  CD  ARG A  19      11.018  -5.223  -3.504  1.00  0.00           C
ATOM    140  NE  ARG A  19      10.956  -3.959  -4.288  1.00  0.00           N
ATOM    141  CZ  ARG A  19      10.887  -4.002  -5.591  1.00  0.00           C
ATOM    142  NH1 ARG A  19      10.869  -5.152  -6.205  1.00  0.00           N
ATOM    143  NH2 ARG A  19      10.835  -2.893  -6.279  1.00  0.00           N
ATOM      0  H   ARG A  19       9.831  -1.776  -0.095  1.00  0.00           H   new
ATOM      0  HA  ARG A  19      10.681  -4.561   0.443  1.00  0.00           H   new
ATOM      0  HB2 ARG A  19       9.652  -3.816  -1.753  1.00  0.00           H   new
ATOM      0  HB3 ARG A  19      11.051  -2.796  -2.023  1.00  0.00           H   new
ATOM      0  HG2 ARG A  19      12.558  -4.706  -2.078  1.00  0.00           H   new
ATOM      0  HG3 ARG A  19      11.331  -5.782  -1.440  1.00  0.00           H   new
ATOM      0  HD2 ARG A  19      11.701  -5.926  -3.980  1.00  0.00           H   new
ATOM      0  HD3 ARG A  19      10.037  -5.698  -3.480  1.00  0.00           H   new
ATOM      0  HE  ARG A  19      10.967  -3.059  -3.807  1.00  0.00           H   new
ATOM      0 HH11 ARG A  19      10.909  -6.018  -5.667  1.00  0.00           H   new
ATOM      0 HH12 ARG A  19      10.815  -5.186  -7.223  1.00  0.00           H   new
ATOM      0 HH21 ARG A  19      10.848  -1.993  -5.798  1.00  0.00           H   new
ATOM      0 HH22 ARG A  19      10.781  -2.926  -7.297  1.00  0.00           H   new
ATOM    157  N   ASN A  20      13.196  -4.258   0.553  1.00  0.00           N
ATOM    158  CA  ASN A  20      14.635  -3.998   0.838  1.00  0.00           C
ATOM    159  C   ASN A  20      15.231  -3.142  -0.282  1.00  0.00           C
ATOM    160  O   ASN A  20      16.332  -2.642  -0.175  1.00  0.00           O
ATOM    161  CB  ASN A  20      15.384  -5.329   0.919  1.00  0.00           C
ATOM    162  CG  ASN A  20      15.129  -6.138  -0.355  1.00  0.00           C
ATOM    163  OD1 ASN A  20      14.025  -6.826  -0.468  1.00  0.00           O   flip
ATOM    164  ND2 ASN A  20      15.942  -6.143  -1.257  1.00  0.00           N   flip
ATOM      0  H   ASN A  20      12.913  -5.236   0.610  1.00  0.00           H   new
ATOM      0  HA  ASN A  20      14.730  -3.469   1.786  1.00  0.00           H   new
ATOM      0  HB2 ASN A  20      16.452  -5.150   1.041  1.00  0.00           H   new
ATOM      0  HB3 ASN A  20      15.053  -5.892   1.792  1.00  0.00           H   new
ATOM      0 HD21 ASN A  20      16.805  -5.606  -1.169  1.00  0.00           H   new
ATOM      0 HD22 ASN A  20      15.762  -6.684  -2.103  1.00  0.00           H   new
ATOM    171  N   ASN A  21      14.508  -2.967  -1.356  1.00  0.00           N
ATOM    172  CA  ASN A  21      15.024  -2.145  -2.485  1.00  0.00           C
ATOM    173  C   ASN A  21      14.613  -0.685  -2.273  1.00  0.00           C
ATOM    174  O   ASN A  21      14.924   0.181  -3.066  1.00  0.00           O
ATOM    175  CB  ASN A  21      14.419  -2.661  -3.790  1.00  0.00           C
ATOM    176  CG  ASN A  21      14.986  -4.047  -4.105  1.00  0.00           C
ATOM    177  OD1 ASN A  21      14.667  -5.011  -3.438  1.00  0.00           O
ATOM    178  ND2 ASN A  21      15.822  -4.188  -5.098  1.00  0.00           N
ATOM      0  H   ASN A  21      13.578  -3.361  -1.499  1.00  0.00           H   new
ATOM      0  HA  ASN A  21      16.111  -2.213  -2.531  1.00  0.00           H   new
ATOM      0  HB2 ASN A  21      13.334  -2.712  -3.705  1.00  0.00           H   new
ATOM      0  HB3 ASN A  21      14.643  -1.972  -4.604  1.00  0.00           H   new
ATOM      0 HD21 ASN A  21      16.207  -5.107  -5.314  1.00  0.00           H   new
ATOM      0 HD22 ASN A  21      16.090  -3.379  -5.658  1.00  0.00           H   new
ATOM    185  N   GLY A  22      13.918  -0.411  -1.203  1.00  0.00           N
ATOM    186  CA  GLY A  22      13.485   0.990  -0.925  1.00  0.00           C
ATOM    187  C   GLY A  22      12.182   1.284  -1.674  1.00  0.00           C
ATOM    188  O   GLY A  22      11.688   2.394  -1.670  1.00  0.00           O
ATOM      0  H   GLY A  22      13.630  -1.098  -0.507  1.00  0.00           H   new
ATOM      0  HA2 GLY A  22      13.340   1.131   0.146  1.00  0.00           H   new
ATOM      0  HA3 GLY A  22      14.261   1.690  -1.236  1.00  0.00           H   new
ATOM    192  N   TYR A  23      11.621   0.294  -2.317  1.00  0.00           N
ATOM    193  CA  TYR A  23      10.346   0.504  -3.069  1.00  0.00           C
ATOM    194  C   TYR A  23       9.162   0.265  -2.121  1.00  0.00           C
ATOM    195  O   TYR A  23       9.131  -0.702  -1.386  1.00  0.00           O
ATOM    196  CB  TYR A  23      10.284  -0.502  -4.242  1.00  0.00           C
ATOM    197  CG  TYR A  23      10.736   0.149  -5.532  1.00  0.00           C
ATOM    198  CD1 TYR A  23       9.838   0.927  -6.273  1.00  0.00           C
ATOM    199  CD2 TYR A  23      12.045  -0.035  -5.991  1.00  0.00           C
ATOM    200  CE1 TYR A  23      10.250   1.521  -7.470  1.00  0.00           C
ATOM    201  CE2 TYR A  23      12.457   0.558  -7.190  1.00  0.00           C
ATOM    202  CZ  TYR A  23      11.559   1.337  -7.930  1.00  0.00           C
ATOM    203  OH  TYR A  23      11.964   1.921  -9.111  1.00  0.00           O
ATOM      0  H   TYR A  23      11.992  -0.656  -2.355  1.00  0.00           H   new
ATOM      0  HA  TYR A  23      10.301   1.521  -3.458  1.00  0.00           H   new
ATOM      0  HB2 TYR A  23      10.916  -1.363  -4.023  1.00  0.00           H   new
ATOM      0  HB3 TYR A  23       9.266  -0.874  -4.354  1.00  0.00           H   new
ATOM      0  HD1 TYR A  23       8.827   1.068  -5.920  1.00  0.00           H   new
ATOM      0  HD2 TYR A  23      12.738  -0.635  -5.420  1.00  0.00           H   new
ATOM      0  HE1 TYR A  23       9.557   2.122  -8.040  1.00  0.00           H   new
ATOM      0  HE2 TYR A  23      13.467   0.415  -7.544  1.00  0.00           H   new
ATOM      0  HH  TYR A  23      12.902   1.694  -9.284  1.00  0.00           H   new
ATOM    213  N   TYR A  24       8.183   1.127  -2.146  1.00  0.00           N
ATOM    214  CA  TYR A  24       6.999   0.934  -1.261  1.00  0.00           C
ATOM    215  C   TYR A  24       6.021  -0.019  -1.951  1.00  0.00           C
ATOM    216  O   TYR A  24       5.926  -0.048  -3.161  1.00  0.00           O
ATOM    217  CB  TYR A  24       6.315   2.280  -1.022  1.00  0.00           C
ATOM    218  CG  TYR A  24       7.145   3.105  -0.069  1.00  0.00           C
ATOM    219  CD1 TYR A  24       7.137   2.810   1.297  1.00  0.00           C
ATOM    220  CD2 TYR A  24       7.922   4.166  -0.552  1.00  0.00           C
ATOM    221  CE1 TYR A  24       7.906   3.574   2.183  1.00  0.00           C
ATOM    222  CE2 TYR A  24       8.690   4.930   0.334  1.00  0.00           C
ATOM    223  CZ  TYR A  24       8.682   4.633   1.702  1.00  0.00           C
ATOM    224  OH  TYR A  24       9.438   5.386   2.576  1.00  0.00           O
ATOM      0  H   TYR A  24       8.151   1.956  -2.740  1.00  0.00           H   new
ATOM      0  HA  TYR A  24       7.314   0.517  -0.304  1.00  0.00           H   new
ATOM      0  HB2 TYR A  24       6.192   2.810  -1.966  1.00  0.00           H   new
ATOM      0  HB3 TYR A  24       5.317   2.125  -0.611  1.00  0.00           H   new
ATOM      0  HD1 TYR A  24       6.537   1.992   1.669  1.00  0.00           H   new
ATOM      0  HD2 TYR A  24       7.928   4.394  -1.608  1.00  0.00           H   new
ATOM      0  HE1 TYR A  24       7.900   3.345   3.238  1.00  0.00           H   new
ATOM      0  HE2 TYR A  24       9.289   5.748  -0.038  1.00  0.00           H   new
ATOM      0  HH  TYR A  24       9.918   6.081   2.079  1.00  0.00           H   new
ATOM    234  N   CYS A  25       5.297  -0.806  -1.199  1.00  0.00           N
ATOM    235  CA  CYS A  25       4.334  -1.758  -1.833  1.00  0.00           C
ATOM    236  C   CYS A  25       3.154  -2.013  -0.894  1.00  0.00           C
ATOM    237  O   CYS A  25       3.308  -2.092   0.308  1.00  0.00           O
ATOM    238  CB  CYS A  25       5.047  -3.080  -2.121  1.00  0.00           C
ATOM    239  SG  CYS A  25       6.438  -2.785  -3.241  1.00  0.00           S
ATOM      0  H   CYS A  25       5.329  -0.832  -0.180  1.00  0.00           H   new
ATOM      0  HA  CYS A  25       3.963  -1.326  -2.763  1.00  0.00           H   new
ATOM      0  HB2 CYS A  25       5.403  -3.523  -1.191  1.00  0.00           H   new
ATOM      0  HB3 CYS A  25       4.351  -3.791  -2.567  1.00  0.00           H   new
ATOM      0  HG  CYS A  25       6.369  -1.574  -3.709  1.00  0.00           H   new
ATOM    245  N   TYR A  26       1.972  -2.148  -1.443  1.00  0.00           N
ATOM    246  CA  TYR A  26       0.760  -2.408  -0.604  1.00  0.00           C
ATOM    247  C   TYR A  26       0.355  -3.875  -0.751  1.00  0.00           C
ATOM    248  O   TYR A  26       0.718  -4.528  -1.710  1.00  0.00           O
ATOM    249  CB  TYR A  26      -0.386  -1.514  -1.085  1.00  0.00           C
ATOM    250  CG  TYR A  26      -1.517  -1.564  -0.086  1.00  0.00           C
ATOM    251  CD1 TYR A  26      -2.524  -2.526  -0.215  1.00  0.00           C
ATOM    252  CD2 TYR A  26      -1.557  -0.646   0.971  1.00  0.00           C
ATOM    253  CE1 TYR A  26      -3.572  -2.572   0.712  1.00  0.00           C
ATOM    254  CE2 TYR A  26      -2.604  -0.692   1.898  1.00  0.00           C
ATOM    255  CZ  TYR A  26      -3.612  -1.655   1.768  1.00  0.00           C
ATOM    256  OH  TYR A  26      -4.645  -1.700   2.682  1.00  0.00           O
ATOM      0  H   TYR A  26       1.793  -2.089  -2.445  1.00  0.00           H   new
ATOM      0  HA  TYR A  26       0.979  -2.191   0.441  1.00  0.00           H   new
ATOM      0  HB2 TYR A  26      -0.036  -0.488  -1.203  1.00  0.00           H   new
ATOM      0  HB3 TYR A  26      -0.735  -1.847  -2.063  1.00  0.00           H   new
ATOM      0  HD1 TYR A  26      -2.493  -3.234  -1.030  1.00  0.00           H   new
ATOM      0  HD2 TYR A  26      -0.780   0.097   1.071  1.00  0.00           H   new
ATOM      0  HE1 TYR A  26      -4.349  -3.315   0.612  1.00  0.00           H   new
ATOM      0  HE2 TYR A  26      -2.635   0.015   2.714  1.00  0.00           H   new
ATOM      0  HH  TYR A  26      -4.965  -2.622   2.769  1.00  0.00           H   new
ATOM    266  N   ARG A  27      -0.394  -4.402   0.191  1.00  0.00           N
ATOM    267  CA  ARG A  27      -0.829  -5.839   0.106  1.00  0.00           C
ATOM    268  C   ARG A  27      -2.336  -5.938   0.341  1.00  0.00           C
ATOM    269  O   ARG A  27      -2.827  -5.667   1.419  1.00  0.00           O
ATOM    270  CB  ARG A  27      -0.101  -6.667   1.169  1.00  0.00           C
ATOM    271  CG  ARG A  27      -0.427  -8.159   0.984  1.00  0.00           C
ATOM    272  CD  ARG A  27       0.637  -9.021   1.677  1.00  0.00           C
ATOM    273  NE  ARG A  27       1.799  -9.201   0.762  1.00  0.00           N
ATOM    274  CZ  ARG A  27       2.937  -9.636   1.231  1.00  0.00           C
ATOM    275  NH1 ARG A  27       3.059  -9.901   2.503  1.00  0.00           N
ATOM    276  NH2 ARG A  27       3.954  -9.801   0.430  1.00  0.00           N
ATOM      0  H   ARG A  27      -0.724  -3.901   1.016  1.00  0.00           H   new
ATOM      0  HA  ARG A  27      -0.586  -6.223  -0.885  1.00  0.00           H   new
ATOM      0  HB2 ARG A  27       0.975  -6.509   1.092  1.00  0.00           H   new
ATOM      0  HB3 ARG A  27      -0.401  -6.341   2.165  1.00  0.00           H   new
ATOM      0  HG2 ARG A  27      -1.411  -8.378   1.399  1.00  0.00           H   new
ATOM      0  HG3 ARG A  27      -0.468  -8.401  -0.078  1.00  0.00           H   new
ATOM      0  HD2 ARG A  27       0.959  -8.546   2.603  1.00  0.00           H   new
ATOM      0  HD3 ARG A  27       0.217  -9.991   1.945  1.00  0.00           H   new
ATOM      0  HE  ARG A  27       1.705  -8.984  -0.230  1.00  0.00           H   new
ATOM      0 HH11 ARG A  27       2.266  -9.768   3.130  1.00  0.00           H   new
ATOM      0 HH12 ARG A  27       3.948 -10.241   2.870  1.00  0.00           H   new
ATOM      0 HH21 ARG A  27       3.860  -9.590  -0.564  1.00  0.00           H   new
ATOM      0 HH22 ARG A  27       4.843 -10.141   0.797  1.00  0.00           H   new
ATOM    290  N   ASP A  28      -3.070  -6.330  -0.663  1.00  0.00           N
ATOM    291  CA  ASP A  28      -4.548  -6.455  -0.502  1.00  0.00           C
ATOM    292  C   ASP A  28      -4.861  -7.702   0.348  1.00  0.00           C
ATOM    293  O   ASP A  28      -4.216  -8.720   0.195  1.00  0.00           O
ATOM    294  CB  ASP A  28      -5.190  -6.612  -1.883  1.00  0.00           C
ATOM    295  CG  ASP A  28      -4.591  -5.583  -2.844  1.00  0.00           C
ATOM    296  OD1 ASP A  28      -5.098  -4.475  -2.885  1.00  0.00           O
ATOM    297  OD2 ASP A  28      -3.632  -5.920  -3.521  1.00  0.00           O
ATOM      0  H   ASP A  28      -2.712  -6.569  -1.588  1.00  0.00           H   new
ATOM      0  HA  ASP A  28      -4.943  -5.566  -0.010  1.00  0.00           H   new
ATOM      0  HB2 ASP A  28      -5.022  -7.620  -2.262  1.00  0.00           H   new
ATOM      0  HB3 ASP A  28      -6.269  -6.474  -1.812  1.00  0.00           H   new
ATOM    302  N   PRO A  29      -5.841  -7.648   1.231  1.00  0.00           N
ATOM    303  CA  PRO A  29      -6.205  -8.821   2.079  1.00  0.00           C
ATOM    304  C   PRO A  29      -7.145  -9.796   1.356  1.00  0.00           C
ATOM    305  O   PRO A  29      -7.265 -10.946   1.730  1.00  0.00           O
ATOM    306  CB  PRO A  29      -6.925  -8.170   3.257  1.00  0.00           C
ATOM    307  CG  PRO A  29      -7.628  -7.002   2.651  1.00  0.00           C
ATOM    308  CD  PRO A  29      -6.703  -6.485   1.538  1.00  0.00           C
ATOM      0  HA  PRO A  29      -5.336  -9.418   2.356  1.00  0.00           H   new
ATOM      0  HB2 PRO A  29      -7.627  -8.859   3.725  1.00  0.00           H   new
ATOM      0  HB3 PRO A  29      -6.223  -7.856   4.030  1.00  0.00           H   new
ATOM      0  HG2 PRO A  29      -8.597  -7.295   2.248  1.00  0.00           H   new
ATOM      0  HG3 PRO A  29      -7.813  -6.228   3.396  1.00  0.00           H   new
ATOM      0  HD2 PRO A  29      -7.269  -6.164   0.664  1.00  0.00           H   new
ATOM      0  HD3 PRO A  29      -6.117  -5.628   1.870  1.00  0.00           H   new
ATOM    316  N   ARG A  30      -7.816  -9.346   0.327  1.00  0.00           N
ATOM    317  CA  ARG A  30      -8.750 -10.251  -0.411  1.00  0.00           C
ATOM    318  C   ARG A  30      -7.987 -10.974  -1.526  1.00  0.00           C
ATOM    319  O   ARG A  30      -8.349 -12.064  -1.924  1.00  0.00           O
ATOM    320  CB  ARG A  30      -9.914  -9.435  -0.992  1.00  0.00           C
ATOM    321  CG  ARG A  30      -9.389  -8.307  -1.898  1.00  0.00           C
ATOM    322  CD  ARG A  30     -10.401  -7.155  -1.937  1.00  0.00           C
ATOM    323  NE  ARG A  30     -11.756  -7.697  -2.230  1.00  0.00           N
ATOM    324  CZ  ARG A  30     -12.814  -6.964  -2.014  1.00  0.00           C
ATOM    325  NH1 ARG A  30     -12.686  -5.756  -1.538  1.00  0.00           N
ATOM    326  NH2 ARG A  30     -14.001  -7.440  -2.273  1.00  0.00           N
ATOM      0  H   ARG A  30      -7.758  -8.394  -0.034  1.00  0.00           H   new
ATOM      0  HA  ARG A  30      -9.158 -10.994   0.274  1.00  0.00           H   new
ATOM      0  HB2 ARG A  30     -10.574 -10.089  -1.562  1.00  0.00           H   new
ATOM      0  HB3 ARG A  30     -10.507  -9.011  -0.182  1.00  0.00           H   new
ATOM      0  HG2 ARG A  30      -8.429  -7.947  -1.527  1.00  0.00           H   new
ATOM      0  HG3 ARG A  30      -9.219  -8.687  -2.905  1.00  0.00           H   new
ATOM      0  HD2 ARG A  30     -10.406  -6.629  -0.983  1.00  0.00           H   new
ATOM      0  HD3 ARG A  30     -10.115  -6.430  -2.699  1.00  0.00           H   new
ATOM      0  HE  ARG A  30     -11.858  -8.642  -2.600  1.00  0.00           H   new
ATOM      0 HH11 ARG A  30     -11.758  -5.384  -1.334  1.00  0.00           H   new
ATOM      0 HH12 ARG A  30     -13.513  -5.184  -1.370  1.00  0.00           H   new
ATOM      0 HH21 ARG A  30     -14.102  -8.385  -2.644  1.00  0.00           H   new
ATOM      0 HH22 ARG A  30     -14.828  -6.867  -2.104  1.00  0.00           H   new
ATOM    340  N   THR A  31      -6.917 -10.390  -2.018  1.00  0.00           N
ATOM    341  CA  THR A  31      -6.108 -11.049  -3.087  1.00  0.00           C
ATOM    342  C   THR A  31      -4.797 -11.538  -2.471  1.00  0.00           C
ATOM    343  O   THR A  31      -4.137 -12.412  -2.996  1.00  0.00           O
ATOM    344  CB  THR A  31      -5.785 -10.036  -4.190  1.00  0.00           C
ATOM    345  OG1 THR A  31      -4.621  -9.304  -3.836  1.00  0.00           O
ATOM    346  CG2 THR A  31      -6.957  -9.074  -4.376  1.00  0.00           C
ATOM      0  H   THR A  31      -6.570  -9.478  -1.720  1.00  0.00           H   new
ATOM      0  HA  THR A  31      -6.669 -11.882  -3.511  1.00  0.00           H   new
ATOM      0  HB  THR A  31      -5.611 -10.570  -5.124  1.00  0.00           H   new
ATOM      0  HG1 THR A  31      -4.414  -8.657  -4.543  1.00  0.00           H   new
ATOM      0 HG21 THR A  31      -6.718  -8.358  -5.162  1.00  0.00           H   new
ATOM      0 HG22 THR A  31      -7.848  -9.636  -4.656  1.00  0.00           H   new
ATOM      0 HG23 THR A  31      -7.142  -8.541  -3.443  1.00  0.00           H   new
ATOM    354  N   GLY A  32      -4.416 -10.974  -1.356  1.00  0.00           N
ATOM    355  CA  GLY A  32      -3.150 -11.397  -0.696  1.00  0.00           C
ATOM    356  C   GLY A  32      -1.956 -11.017  -1.576  1.00  0.00           C
ATOM    357  O   GLY A  32      -0.817 -11.101  -1.160  1.00  0.00           O
ATOM      0  H   GLY A  32      -4.930 -10.236  -0.874  1.00  0.00           H   new
ATOM      0  HA2 GLY A  32      -3.061 -10.920   0.280  1.00  0.00           H   new
ATOM      0  HA3 GLY A  32      -3.160 -12.473  -0.525  1.00  0.00           H   new
ATOM    361  N   LYS A  33      -2.202 -10.607  -2.792  1.00  0.00           N
ATOM    362  CA  LYS A  33      -1.074 -10.235  -3.693  1.00  0.00           C
ATOM    363  C   LYS A  33      -0.524  -8.857  -3.289  1.00  0.00           C
ATOM    364  O   LYS A  33      -0.987  -8.246  -2.347  1.00  0.00           O
ATOM    365  CB  LYS A  33      -1.580 -10.219  -5.157  1.00  0.00           C
ATOM    366  CG  LYS A  33      -0.736 -11.158  -6.033  1.00  0.00           C
ATOM    367  CD  LYS A  33       0.665 -10.566  -6.226  1.00  0.00           C
ATOM    368  CE  LYS A  33       1.423 -11.381  -7.276  1.00  0.00           C
ATOM    369  NZ  LYS A  33       2.804 -10.840  -7.424  1.00  0.00           N
ATOM      0  H   LYS A  33      -3.133 -10.514  -3.199  1.00  0.00           H   new
ATOM      0  HA  LYS A  33      -0.269 -10.964  -3.606  1.00  0.00           H   new
ATOM      0  HB2 LYS A  33      -2.626 -10.525  -5.189  1.00  0.00           H   new
ATOM      0  HB3 LYS A  33      -1.533  -9.204  -5.552  1.00  0.00           H   new
ATOM      0  HG2 LYS A  33      -0.665 -12.140  -5.566  1.00  0.00           H   new
ATOM      0  HG3 LYS A  33      -1.218 -11.299  -7.000  1.00  0.00           H   new
ATOM      0  HD2 LYS A  33       0.591  -9.525  -6.542  1.00  0.00           H   new
ATOM      0  HD3 LYS A  33       1.209 -10.575  -5.281  1.00  0.00           H   new
ATOM      0  HE2 LYS A  33       1.462 -12.429  -6.980  1.00  0.00           H   new
ATOM      0  HE3 LYS A  33       0.900 -11.339  -8.231  1.00  0.00           H   new
ATOM      0  HZ1 LYS A  33       3.319 -11.394  -8.138  1.00  0.00           H   new
ATOM      0  HZ2 LYS A  33       2.757  -9.846  -7.725  1.00  0.00           H   new
ATOM      0  HZ3 LYS A  33       3.301 -10.902  -6.512  1.00  0.00           H   new
ATOM    383  N   GLU A  34       0.471  -8.375  -4.001  1.00  0.00           N
ATOM    384  CA  GLU A  34       1.081  -7.044  -3.674  1.00  0.00           C
ATOM    385  C   GLU A  34       0.853  -6.059  -4.823  1.00  0.00           C
ATOM    386  O   GLU A  34       0.453  -6.430  -5.908  1.00  0.00           O
ATOM    387  CB  GLU A  34       2.587  -7.223  -3.461  1.00  0.00           C
ATOM    388  CG  GLU A  34       2.830  -8.232  -2.336  1.00  0.00           C
ATOM    389  CD  GLU A  34       4.286  -8.701  -2.375  1.00  0.00           C
ATOM    390  OE1 GLU A  34       5.156  -7.859  -2.529  1.00  0.00           O
ATOM    391  OE2 GLU A  34       4.507  -9.895  -2.249  1.00  0.00           O
ATOM      0  H   GLU A  34       0.889  -8.851  -4.800  1.00  0.00           H   new
ATOM      0  HA  GLU A  34       0.615  -6.651  -2.770  1.00  0.00           H   new
ATOM      0  HB2 GLU A  34       3.056  -7.570  -4.382  1.00  0.00           H   new
ATOM      0  HB3 GLU A  34       3.045  -6.266  -3.210  1.00  0.00           H   new
ATOM      0  HG2 GLU A  34       2.610  -7.776  -1.371  1.00  0.00           H   new
ATOM      0  HG3 GLU A  34       2.159  -9.084  -2.447  1.00  0.00           H   new
ATOM    398  N   PHE A  35       1.117  -4.799  -4.583  1.00  0.00           N
ATOM    399  CA  PHE A  35       0.936  -3.754  -5.641  1.00  0.00           C
ATOM    400  C   PHE A  35       2.157  -2.823  -5.622  1.00  0.00           C
ATOM    401  O   PHE A  35       2.465  -2.209  -4.620  1.00  0.00           O
ATOM    402  CB  PHE A  35      -0.346  -2.946  -5.349  1.00  0.00           C
ATOM    403  CG  PHE A  35      -1.535  -3.584  -6.040  1.00  0.00           C
ATOM    404  CD1 PHE A  35      -2.061  -4.791  -5.563  1.00  0.00           C
ATOM    405  CD2 PHE A  35      -2.107  -2.967  -7.160  1.00  0.00           C
ATOM    406  CE1 PHE A  35      -3.157  -5.380  -6.207  1.00  0.00           C
ATOM    407  CE2 PHE A  35      -3.202  -3.555  -7.802  1.00  0.00           C
ATOM    408  CZ  PHE A  35      -3.727  -4.762  -7.326  1.00  0.00           C
ATOM      0  H   PHE A  35       1.455  -4.444  -3.688  1.00  0.00           H   new
ATOM      0  HA  PHE A  35       0.844  -4.221  -6.622  1.00  0.00           H   new
ATOM      0  HB2 PHE A  35      -0.521  -2.903  -4.274  1.00  0.00           H   new
ATOM      0  HB3 PHE A  35      -0.224  -1.919  -5.693  1.00  0.00           H   new
ATOM      0  HD1 PHE A  35      -1.622  -5.268  -4.699  1.00  0.00           H   new
ATOM      0  HD2 PHE A  35      -1.702  -2.036  -7.528  1.00  0.00           H   new
ATOM      0  HE1 PHE A  35      -3.562  -6.311  -5.840  1.00  0.00           H   new
ATOM      0  HE2 PHE A  35      -3.642  -3.078  -8.665  1.00  0.00           H   new
ATOM      0  HZ  PHE A  35      -4.572  -5.216  -7.822  1.00  0.00           H   new
ATOM    418  N   GLY A  36       2.856  -2.723  -6.720  1.00  0.00           N
ATOM    419  CA  GLY A  36       4.058  -1.842  -6.761  1.00  0.00           C
ATOM    420  C   GLY A  36       3.628  -0.379  -6.892  1.00  0.00           C
ATOM    421  O   GLY A  36       2.910  -0.014  -7.802  1.00  0.00           O
ATOM      0  H   GLY A  36       2.647  -3.213  -7.590  1.00  0.00           H   new
ATOM      0  HA2 GLY A  36       4.649  -1.977  -5.855  1.00  0.00           H   new
ATOM      0  HA3 GLY A  36       4.694  -2.120  -7.601  1.00  0.00           H   new
ATOM    425  N   LEU A  37       4.067   0.463  -5.988  1.00  0.00           N
ATOM    426  CA  LEU A  37       3.696   1.914  -6.047  1.00  0.00           C
ATOM    427  C   LEU A  37       4.897   2.721  -6.540  1.00  0.00           C
ATOM    428  O   LEU A  37       4.931   3.180  -7.665  1.00  0.00           O
ATOM    429  CB  LEU A  37       3.302   2.402  -4.648  1.00  0.00           C
ATOM    430  CG  LEU A  37       2.359   1.392  -3.989  1.00  0.00           C
ATOM    431  CD1 LEU A  37       1.853   1.962  -2.663  1.00  0.00           C
ATOM    432  CD2 LEU A  37       1.167   1.118  -4.914  1.00  0.00           C
ATOM      0  H   LEU A  37       4.670   0.207  -5.206  1.00  0.00           H   new
ATOM      0  HA  LEU A  37       2.856   2.046  -6.728  1.00  0.00           H   new
ATOM      0  HB2 LEU A  37       4.194   2.534  -4.035  1.00  0.00           H   new
ATOM      0  HB3 LEU A  37       2.816   3.375  -4.717  1.00  0.00           H   new
ATOM      0  HG  LEU A  37       2.896   0.461  -3.807  1.00  0.00           H   new
ATOM      0 HD11 LEU A  37       1.181   1.245  -2.191  1.00  0.00           H   new
ATOM      0 HD12 LEU A  37       2.699   2.155  -2.003  1.00  0.00           H   new
ATOM      0 HD13 LEU A  37       1.318   2.893  -2.848  1.00  0.00           H   new
ATOM      0 HD21 LEU A  37       0.498   0.399  -4.442  1.00  0.00           H   new
ATOM      0 HD22 LEU A  37       0.629   2.048  -5.099  1.00  0.00           H   new
ATOM      0 HD23 LEU A  37       1.526   0.713  -5.860  1.00  0.00           H   new
ATOM    444  N   GLY A  38       5.883   2.897  -5.706  1.00  0.00           N
ATOM    445  CA  GLY A  38       7.085   3.673  -6.124  1.00  0.00           C
ATOM    446  C   GLY A  38       7.995   3.900  -4.916  1.00  0.00           C
ATOM    447  O   GLY A  38       7.814   3.309  -3.870  1.00  0.00           O
ATOM      0  H   GLY A  38       5.909   2.537  -4.752  1.00  0.00           H   new
ATOM      0  HA2 GLY A  38       7.625   3.135  -6.903  1.00  0.00           H   new
ATOM      0  HA3 GLY A  38       6.783   4.630  -6.549  1.00  0.00           H   new
ATOM    451  N   ARG A  39       8.976   4.755  -5.052  1.00  0.00           N
ATOM    452  CA  ARG A  39       9.908   5.029  -3.914  1.00  0.00           C
ATOM    453  C   ARG A  39       9.477   6.312  -3.194  1.00  0.00           C
ATOM    454  O   ARG A  39      10.097   6.735  -2.238  1.00  0.00           O
ATOM    455  CB  ARG A  39      11.337   5.199  -4.453  1.00  0.00           C
ATOM    456  CG  ARG A  39      11.630   4.147  -5.552  1.00  0.00           C
ATOM    457  CD  ARG A  39      11.395   4.746  -6.947  1.00  0.00           C
ATOM    458  NE  ARG A  39      12.625   5.456  -7.393  1.00  0.00           N
ATOM    459  CZ  ARG A  39      12.776   5.773  -8.650  1.00  0.00           C
ATOM    460  NH1 ARG A  39      11.854   5.458  -9.519  1.00  0.00           N
ATOM    461  NH2 ARG A  39      13.850   6.404  -9.039  1.00  0.00           N
ATOM      0  H   ARG A  39       9.173   5.278  -5.905  1.00  0.00           H   new
ATOM      0  HA  ARG A  39       9.880   4.194  -3.213  1.00  0.00           H   new
ATOM      0  HB2 ARG A  39      11.462   6.203  -4.859  1.00  0.00           H   new
ATOM      0  HB3 ARG A  39      12.054   5.093  -3.639  1.00  0.00           H   new
ATOM      0  HG2 ARG A  39      12.660   3.801  -5.467  1.00  0.00           H   new
ATOM      0  HG3 ARG A  39      10.989   3.277  -5.411  1.00  0.00           H   new
ATOM      0  HD2 ARG A  39      11.140   3.958  -7.655  1.00  0.00           H   new
ATOM      0  HD3 ARG A  39      10.552   5.437  -6.921  1.00  0.00           H   new
ATOM      0  HE  ARG A  39      13.350   5.695  -6.716  1.00  0.00           H   new
ATOM      0 HH11 ARG A  39      11.015   4.964  -9.216  1.00  0.00           H   new
ATOM      0 HH12 ARG A  39      11.973   5.706 -10.501  1.00  0.00           H   new
ATOM      0 HH21 ARG A  39      14.571   6.649  -8.361  1.00  0.00           H   new
ATOM      0 HH22 ARG A  39      13.968   6.652 -10.021  1.00  0.00           H   new
ATOM    475  N   ASP A  40       8.423   6.936  -3.650  1.00  0.00           N
ATOM    476  CA  ASP A  40       7.949   8.198  -2.999  1.00  0.00           C
ATOM    477  C   ASP A  40       6.802   7.885  -2.041  1.00  0.00           C
ATOM    478  O   ASP A  40       5.668   7.728  -2.448  1.00  0.00           O
ATOM    479  CB  ASP A  40       7.444   9.163  -4.070  1.00  0.00           C
ATOM    480  CG  ASP A  40       8.605   9.581  -4.973  1.00  0.00           C
ATOM    481  OD1 ASP A  40       8.834   8.905  -5.962  1.00  0.00           O
ATOM    482  OD2 ASP A  40       9.243  10.573  -4.662  1.00  0.00           O
ATOM      0  H   ASP A  40       7.867   6.627  -4.447  1.00  0.00           H   new
ATOM      0  HA  ASP A  40       8.776   8.648  -2.449  1.00  0.00           H   new
ATOM      0  HB2 ASP A  40       6.662   8.688  -4.662  1.00  0.00           H   new
ATOM      0  HB3 ASP A  40       7.000  10.041  -3.602  1.00  0.00           H   new
ATOM    487  N   ARG A  41       7.082   7.803  -0.772  1.00  0.00           N
ATOM    488  CA  ARG A  41       6.002   7.509   0.207  1.00  0.00           C
ATOM    489  C   ARG A  41       4.872   8.524   0.041  1.00  0.00           C
ATOM    490  O   ARG A  41       3.754   8.292   0.440  1.00  0.00           O
ATOM    491  CB  ARG A  41       6.560   7.598   1.631  1.00  0.00           C
ATOM    492  CG  ARG A  41       7.161   8.993   1.869  1.00  0.00           C
ATOM    493  CD  ARG A  41       7.752   9.094   3.295  1.00  0.00           C
ATOM    494  NE  ARG A  41       9.188   9.482   3.200  1.00  0.00           N
ATOM    495  CZ  ARG A  41       9.819   9.911   4.260  1.00  0.00           C
ATOM    496  NH1 ARG A  41       9.194   9.998   5.401  1.00  0.00           N
ATOM    497  NH2 ARG A  41      11.076  10.250   4.177  1.00  0.00           N
ATOM      0  H   ARG A  41       8.012   7.927  -0.371  1.00  0.00           H   new
ATOM      0  HA  ARG A  41       5.619   6.504   0.030  1.00  0.00           H   new
ATOM      0  HB2 ARG A  41       5.768   7.405   2.354  1.00  0.00           H   new
ATOM      0  HB3 ARG A  41       7.322   6.833   1.781  1.00  0.00           H   new
ATOM      0  HG2 ARG A  41       7.939   9.190   1.132  1.00  0.00           H   new
ATOM      0  HG3 ARG A  41       6.393   9.754   1.733  1.00  0.00           H   new
ATOM      0  HD2 ARG A  41       7.201   9.831   3.879  1.00  0.00           H   new
ATOM      0  HD3 ARG A  41       7.654   8.139   3.812  1.00  0.00           H   new
ATOM      0  HE  ARG A  41       9.678   9.413   2.308  1.00  0.00           H   new
ATOM      0 HH11 ARG A  41       8.212   9.731   5.466  1.00  0.00           H   new
ATOM      0 HH12 ARG A  41       9.687  10.333   6.228  1.00  0.00           H   new
ATOM      0 HH21 ARG A  41      11.565  10.180   3.285  1.00  0.00           H   new
ATOM      0 HH22 ARG A  41      11.570  10.585   5.004  1.00  0.00           H   new
ATOM    511  N   ARG A  42       5.152   9.648  -0.557  1.00  0.00           N
ATOM    512  CA  ARG A  42       4.087  10.665  -0.745  1.00  0.00           C
ATOM    513  C   ARG A  42       3.083  10.119  -1.743  1.00  0.00           C
ATOM    514  O   ARG A  42       1.892  10.103  -1.502  1.00  0.00           O
ATOM    515  CB  ARG A  42       4.687  11.971  -1.281  1.00  0.00           C
ATOM    516  CG  ARG A  42       5.604  12.621  -0.218  1.00  0.00           C
ATOM    517  CD  ARG A  42       7.051  12.154  -0.401  1.00  0.00           C
ATOM    518  NE  ARG A  42       7.502  12.464  -1.787  1.00  0.00           N
ATOM    519  CZ  ARG A  42       8.774  12.466  -2.077  1.00  0.00           C
ATOM    520  NH1 ARG A  42       9.658  12.211  -1.153  1.00  0.00           N
ATOM    521  NH2 ARG A  42       9.162  12.730  -3.296  1.00  0.00           N
ATOM      0  H   ARG A  42       6.070   9.904  -0.922  1.00  0.00           H   new
ATOM      0  HA  ARG A  42       3.603  10.875   0.209  1.00  0.00           H   new
ATOM      0  HB2 ARG A  42       5.257  11.771  -2.188  1.00  0.00           H   new
ATOM      0  HB3 ARG A  42       3.888  12.661  -1.552  1.00  0.00           H   new
ATOM      0  HG2 ARG A  42       5.553  13.707  -0.300  1.00  0.00           H   new
ATOM      0  HG3 ARG A  42       5.255  12.360   0.781  1.00  0.00           H   new
ATOM      0  HD2 ARG A  42       7.698  12.649   0.323  1.00  0.00           H   new
ATOM      0  HD3 ARG A  42       7.125  11.083  -0.214  1.00  0.00           H   new
ATOM      0  HE  ARG A  42       6.815  12.675  -2.511  1.00  0.00           H   new
ATOM      0 HH11 ARG A  42       9.356  12.009  -0.200  1.00  0.00           H   new
ATOM      0 HH12 ARG A  42      10.652  12.213  -1.383  1.00  0.00           H   new
ATOM      0 HH21 ARG A  42       8.471  12.934  -4.018  1.00  0.00           H   new
ATOM      0 HH22 ARG A  42      10.156  12.732  -3.526  1.00  0.00           H   new
ATOM    535  N   ILE A  43       3.559   9.654  -2.860  1.00  0.00           N
ATOM    536  CA  ILE A  43       2.639   9.089  -3.872  1.00  0.00           C
ATOM    537  C   ILE A  43       2.237   7.684  -3.416  1.00  0.00           C
ATOM    538  O   ILE A  43       1.127   7.246  -3.627  1.00  0.00           O
ATOM    539  CB  ILE A  43       3.343   9.036  -5.240  1.00  0.00           C
ATOM    540  CG1 ILE A  43       3.378  10.441  -5.857  1.00  0.00           C
ATOM    541  CG2 ILE A  43       2.586   8.098  -6.189  1.00  0.00           C
ATOM    542  CD1 ILE A  43       4.269  11.361  -5.017  1.00  0.00           C
ATOM      0  H   ILE A  43       4.547   9.642  -3.114  1.00  0.00           H   new
ATOM      0  HA  ILE A  43       1.749   9.711  -3.973  1.00  0.00           H   new
ATOM      0  HB  ILE A  43       4.358   8.666  -5.096  1.00  0.00           H   new
ATOM      0 HG12 ILE A  43       3.755  10.389  -6.878  1.00  0.00           H   new
ATOM      0 HG13 ILE A  43       2.369  10.849  -5.911  1.00  0.00           H   new
ATOM      0 HG21 ILE A  43       3.094   8.069  -7.153  1.00  0.00           H   new
ATOM      0 HG22 ILE A  43       2.558   7.095  -5.763  1.00  0.00           H   new
ATOM      0 HG23 ILE A  43       1.568   8.463  -6.326  1.00  0.00           H   new
ATOM      0 HD11 ILE A  43       4.288  12.356  -5.463  1.00  0.00           H   new
ATOM      0 HD12 ILE A  43       3.873  11.425  -4.003  1.00  0.00           H   new
ATOM      0 HD13 ILE A  43       5.281  10.958  -4.986  1.00  0.00           H   new
ATOM    554  N   ALA A  44       3.136   6.979  -2.790  1.00  0.00           N
ATOM    555  CA  ALA A  44       2.813   5.603  -2.314  1.00  0.00           C
ATOM    556  C   ALA A  44       1.739   5.671  -1.216  1.00  0.00           C
ATOM    557  O   ALA A  44       0.714   5.024  -1.299  1.00  0.00           O
ATOM    558  CB  ALA A  44       4.102   4.945  -1.779  1.00  0.00           C
ATOM      0  H   ALA A  44       4.084   7.296  -2.586  1.00  0.00           H   new
ATOM      0  HA  ALA A  44       2.421   5.004  -3.136  1.00  0.00           H   new
ATOM      0  HB1 ALA A  44       3.878   3.938  -1.428  1.00  0.00           H   new
ATOM      0  HB2 ALA A  44       4.843   4.895  -2.577  1.00  0.00           H   new
ATOM      0  HB3 ALA A  44       4.497   5.537  -0.954  1.00  0.00           H   new
ATOM    564  N   ILE A  45       1.969   6.445  -0.191  1.00  0.00           N
ATOM    565  CA  ILE A  45       0.959   6.544   0.905  1.00  0.00           C
ATOM    566  C   ILE A  45      -0.395   6.941   0.309  1.00  0.00           C
ATOM    567  O   ILE A  45      -1.434   6.494   0.755  1.00  0.00           O
ATOM    568  CB  ILE A  45       1.406   7.594   1.933  1.00  0.00           C
ATOM    569  CG1 ILE A  45       2.630   7.071   2.700  1.00  0.00           C
ATOM    570  CG2 ILE A  45       0.270   7.867   2.924  1.00  0.00           C
ATOM    571  CD1 ILE A  45       3.315   8.234   3.424  1.00  0.00           C
ATOM      0  H   ILE A  45       2.808   7.011  -0.063  1.00  0.00           H   new
ATOM      0  HA  ILE A  45       0.867   5.579   1.404  1.00  0.00           H   new
ATOM      0  HB  ILE A  45       1.663   8.517   1.413  1.00  0.00           H   new
ATOM      0 HG12 ILE A  45       2.324   6.311   3.419  1.00  0.00           H   new
ATOM      0 HG13 ILE A  45       3.328   6.596   2.011  1.00  0.00           H   new
ATOM      0 HG21 ILE A  45       0.593   8.612   3.651  1.00  0.00           H   new
ATOM      0 HG22 ILE A  45      -0.601   8.239   2.385  1.00  0.00           H   new
ATOM      0 HG23 ILE A  45       0.009   6.944   3.442  1.00  0.00           H   new
ATOM      0 HD11 ILE A  45       4.183   7.863   3.968  1.00  0.00           H   new
ATOM      0 HD12 ILE A  45       3.635   8.979   2.695  1.00  0.00           H   new
ATOM      0 HD13 ILE A  45       2.615   8.689   4.125  1.00  0.00           H   new
ATOM    583  N   THR A  46      -0.396   7.772  -0.698  1.00  0.00           N
ATOM    584  CA  THR A  46      -1.685   8.189  -1.319  1.00  0.00           C
ATOM    585  C   THR A  46      -2.461   6.936  -1.746  1.00  0.00           C
ATOM    586  O   THR A  46      -3.599   6.745  -1.374  1.00  0.00           O
ATOM    587  CB  THR A  46      -1.386   9.101  -2.530  1.00  0.00           C
ATOM    588  OG1 THR A  46      -1.375  10.453  -2.099  1.00  0.00           O
ATOM    589  CG2 THR A  46      -2.444   8.934  -3.632  1.00  0.00           C
ATOM      0  H   THR A  46       0.440   8.180  -1.117  1.00  0.00           H   new
ATOM      0  HA  THR A  46      -2.294   8.747  -0.608  1.00  0.00           H   new
ATOM      0  HB  THR A  46      -0.416   8.819  -2.941  1.00  0.00           H   new
ATOM      0  HG1 THR A  46      -1.184  11.038  -2.862  1.00  0.00           H   new
ATOM      0 HG21 THR A  46      -2.204   9.589  -4.469  1.00  0.00           H   new
ATOM      0 HG22 THR A  46      -2.454   7.899  -3.973  1.00  0.00           H   new
ATOM      0 HG23 THR A  46      -3.426   9.195  -3.237  1.00  0.00           H   new
ATOM    597  N   GLU A  47      -1.851   6.095  -2.531  1.00  0.00           N
ATOM    598  CA  GLU A  47      -2.547   4.861  -2.999  1.00  0.00           C
ATOM    599  C   GLU A  47      -2.885   3.974  -1.803  1.00  0.00           C
ATOM    600  O   GLU A  47      -3.940   3.377  -1.734  1.00  0.00           O
ATOM    601  CB  GLU A  47      -1.622   4.100  -3.945  1.00  0.00           C
ATOM    602  CG  GLU A  47      -1.077   5.065  -4.990  1.00  0.00           C
ATOM    603  CD  GLU A  47      -0.371   4.282  -6.097  1.00  0.00           C
ATOM    604  OE1 GLU A  47      -0.908   3.270  -6.516  1.00  0.00           O
ATOM    605  OE2 GLU A  47       0.698   4.707  -6.506  1.00  0.00           O
ATOM      0  H   GLU A  47      -0.896   6.208  -2.871  1.00  0.00           H   new
ATOM      0  HA  GLU A  47      -3.467   5.134  -3.515  1.00  0.00           H   new
ATOM      0  HB2 GLU A  47      -0.802   3.648  -3.387  1.00  0.00           H   new
ATOM      0  HB3 GLU A  47      -2.164   3.288  -4.429  1.00  0.00           H   new
ATOM      0  HG2 GLU A  47      -1.890   5.657  -5.411  1.00  0.00           H   new
ATOM      0  HG3 GLU A  47      -0.381   5.764  -4.526  1.00  0.00           H   new
ATOM    612  N   ALA A  48      -1.993   3.886  -0.863  1.00  0.00           N
ATOM    613  CA  ALA A  48      -2.251   3.036   0.337  1.00  0.00           C
ATOM    614  C   ALA A  48      -3.538   3.503   1.031  1.00  0.00           C
ATOM    615  O   ALA A  48      -4.341   2.706   1.475  1.00  0.00           O
ATOM    616  CB  ALA A  48      -1.070   3.166   1.302  1.00  0.00           C
ATOM      0  H   ALA A  48      -1.093   4.365  -0.869  1.00  0.00           H   new
ATOM      0  HA  ALA A  48      -2.366   1.995   0.034  1.00  0.00           H   new
ATOM      0  HB1 ALA A  48      -1.250   2.548   2.182  1.00  0.00           H   new
ATOM      0  HB2 ALA A  48      -0.157   2.835   0.807  1.00  0.00           H   new
ATOM      0  HB3 ALA A  48      -0.961   4.207   1.606  1.00  0.00           H   new
ATOM    622  N   ILE A  49      -3.735   4.788   1.134  1.00  0.00           N
ATOM    623  CA  ILE A  49      -4.964   5.307   1.808  1.00  0.00           C
ATOM    624  C   ILE A  49      -6.214   4.829   1.066  1.00  0.00           C
ATOM    625  O   ILE A  49      -7.169   4.393   1.671  1.00  0.00           O
ATOM    626  CB  ILE A  49      -4.925   6.837   1.839  1.00  0.00           C
ATOM    627  CG1 ILE A  49      -3.816   7.286   2.792  1.00  0.00           C
ATOM    628  CG2 ILE A  49      -6.268   7.383   2.337  1.00  0.00           C
ATOM    629  CD1 ILE A  49      -3.534   8.776   2.585  1.00  0.00           C
ATOM      0  H   ILE A  49      -3.099   5.504   0.781  1.00  0.00           H   new
ATOM      0  HA  ILE A  49      -4.998   4.928   2.829  1.00  0.00           H   new
ATOM      0  HB  ILE A  49      -4.734   7.216   0.835  1.00  0.00           H   new
ATOM      0 HG12 ILE A  49      -4.113   7.102   3.824  1.00  0.00           H   new
ATOM      0 HG13 ILE A  49      -2.911   6.706   2.612  1.00  0.00           H   new
ATOM      0 HG21 ILE A  49      -6.233   8.472   2.357  1.00  0.00           H   new
ATOM      0 HG22 ILE A  49      -7.064   7.057   1.667  1.00  0.00           H   new
ATOM      0 HG23 ILE A  49      -6.463   7.008   3.342  1.00  0.00           H   new
ATOM      0 HD11 ILE A  49      -2.744   9.095   3.265  1.00  0.00           H   new
ATOM      0 HD12 ILE A  49      -3.218   8.947   1.556  1.00  0.00           H   new
ATOM      0 HD13 ILE A  49      -4.439   9.349   2.787  1.00  0.00           H   new
ATOM    641  N   GLN A  50      -6.223   4.901  -0.235  1.00  0.00           N
ATOM    642  CA  GLN A  50      -7.428   4.442  -0.982  1.00  0.00           C
ATOM    643  C   GLN A  50      -7.685   2.979  -0.635  1.00  0.00           C
ATOM    644  O   GLN A  50      -8.805   2.510  -0.646  1.00  0.00           O
ATOM    645  CB  GLN A  50      -7.191   4.578  -2.491  1.00  0.00           C
ATOM    646  CG  GLN A  50      -6.449   5.880  -2.772  1.00  0.00           C
ATOM    647  CD  GLN A  50      -6.485   6.176  -4.272  1.00  0.00           C
ATOM    648  OE1 GLN A  50      -5.611   5.609  -5.058  1.00  0.00           O   flip
ATOM    649  NE2 GLN A  50      -7.318   6.931  -4.734  1.00  0.00           N   flip
ATOM      0  H   GLN A  50      -5.457   5.254  -0.809  1.00  0.00           H   new
ATOM      0  HA  GLN A  50      -8.289   5.051  -0.706  1.00  0.00           H   new
ATOM      0  HB2 GLN A  50      -6.612   3.730  -2.857  1.00  0.00           H   new
ATOM      0  HB3 GLN A  50      -8.143   4.567  -3.022  1.00  0.00           H   new
ATOM      0  HG2 GLN A  50      -6.908   6.699  -2.218  1.00  0.00           H   new
ATOM      0  HG3 GLN A  50      -5.417   5.803  -2.431  1.00  0.00           H   new
ATOM      0 HE21 GLN A  50      -8.001   7.374  -4.120  1.00  0.00           H   new
ATOM      0 HE22 GLN A  50      -7.334   7.121  -5.736  1.00  0.00           H   new
ATOM    658  N   ALA A  51      -6.649   2.261  -0.315  1.00  0.00           N
ATOM    659  CA  ALA A  51      -6.820   0.830   0.049  1.00  0.00           C
ATOM    660  C   ALA A  51      -7.623   0.740   1.348  1.00  0.00           C
ATOM    661  O   ALA A  51      -8.412  -0.164   1.542  1.00  0.00           O
ATOM    662  CB  ALA A  51      -5.447   0.181   0.243  1.00  0.00           C
ATOM      0  H   ALA A  51      -5.689   2.604  -0.290  1.00  0.00           H   new
ATOM      0  HA  ALA A  51      -7.350   0.307  -0.747  1.00  0.00           H   new
ATOM      0  HB1 ALA A  51      -5.575  -0.868   0.510  1.00  0.00           H   new
ATOM      0  HB2 ALA A  51      -4.876   0.253  -0.683  1.00  0.00           H   new
ATOM      0  HB3 ALA A  51      -4.911   0.695   1.040  1.00  0.00           H   new
ATOM    668  N   ASN A  52      -7.427   1.675   2.240  1.00  0.00           N
ATOM    669  CA  ASN A  52      -8.175   1.646   3.526  1.00  0.00           C
ATOM    670  C   ASN A  52      -9.666   1.887   3.256  1.00  0.00           C
ATOM    671  O   ASN A  52     -10.521   1.326   3.911  1.00  0.00           O
ATOM    672  CB  ASN A  52      -7.628   2.741   4.451  1.00  0.00           C
ATOM    673  CG  ASN A  52      -6.375   2.235   5.173  1.00  0.00           C
ATOM    674  OD1 ASN A  52      -6.429   1.266   5.904  1.00  0.00           O
ATOM    675  ND2 ASN A  52      -5.239   2.853   4.995  1.00  0.00           N
ATOM      0  H   ASN A  52      -6.781   2.457   2.131  1.00  0.00           H   new
ATOM      0  HA  ASN A  52      -8.052   0.674   4.004  1.00  0.00           H   new
ATOM      0  HB2 ASN A  52      -7.389   3.633   3.872  1.00  0.00           H   new
ATOM      0  HB3 ASN A  52      -8.387   3.027   5.179  1.00  0.00           H   new
ATOM      0 HD21 ASN A  52      -4.399   2.522   5.469  1.00  0.00           H   new
ATOM      0 HD22 ASN A  52      -5.192   3.667   4.382  1.00  0.00           H   new
ATOM    682  N   ILE A  53      -9.981   2.708   2.293  1.00  0.00           N
ATOM    683  CA  ILE A  53     -11.417   2.969   1.981  1.00  0.00           C
ATOM    684  C   ILE A  53     -11.974   1.723   1.295  1.00  0.00           C
ATOM    685  O   ILE A  53     -13.113   1.343   1.483  1.00  0.00           O
ATOM    686  CB  ILE A  53     -11.531   4.201   1.058  1.00  0.00           C
ATOM    687  CG1 ILE A  53     -11.449   5.480   1.899  1.00  0.00           C
ATOM    688  CG2 ILE A  53     -12.871   4.192   0.307  1.00  0.00           C
ATOM    689  CD1 ILE A  53     -10.106   5.535   2.629  1.00  0.00           C
ATOM      0  H   ILE A  53      -9.310   3.208   1.710  1.00  0.00           H   new
ATOM      0  HA  ILE A  53     -11.984   3.177   2.888  1.00  0.00           H   new
ATOM      0  HB  ILE A  53     -10.714   4.168   0.337  1.00  0.00           H   new
ATOM      0 HG12 ILE A  53     -11.561   6.355   1.259  1.00  0.00           H   new
ATOM      0 HG13 ILE A  53     -12.266   5.505   2.620  1.00  0.00           H   new
ATOM      0 HG21 ILE A  53     -12.932   5.068  -0.338  1.00  0.00           H   new
ATOM      0 HG22 ILE A  53     -12.942   3.289  -0.299  1.00  0.00           H   new
ATOM      0 HG23 ILE A  53     -13.691   4.212   1.025  1.00  0.00           H   new
ATOM      0 HD11 ILE A  53     -10.053   6.446   3.225  1.00  0.00           H   new
ATOM      0 HD12 ILE A  53     -10.011   4.668   3.282  1.00  0.00           H   new
ATOM      0 HD13 ILE A  53      -9.295   5.531   1.900  1.00  0.00           H   new