USER  MOD reduce.3.24.130724 H: found=0, std=0, add=332, rem=0, adj=14
USER  MOD reduce.3.24.130724 removed 326 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  16 CYS SG  :   rot  -68:sc=   -1.52!
USER  MOD Set 1.2: A  34 CYS SG  :   rot -128:sc=    2.09
USER  MOD Set 1.3: A  38 TYR OH  :   rot -115:sc=   0.399
USER  MOD Set 1.4: A  43 CYS SG  :   rot -118:sc=   0.417
USER  MOD Set 2.1: A   8 CYS SG  :   rot  140:sc=   0.409
USER  MOD Set 2.2: A  15 TYR OH  :   rot -177:sc=   -1.77!
USER  MOD Set 2.3: A  21 CYS SG  :   rot   22:sc=   0.453
USER  MOD Single : A   6 SER OG  :   rot  180:sc=       0
USER  MOD Single : A  10 LYS NZ  :NH3+    180:sc=       0   (180deg=0)
USER  MOD Single : A  11 GLN     :      amide:sc=  -0.248  X(o=-0.25,f=-0.26)
USER  MOD Single : A  12 TYR OH  :   rot  180:sc=       0
USER  MOD Single : A  13 LYS NZ  :NH3+    180:sc=       0   (180deg=0)
USER  MOD Single : A  14 HIS     :     no HD1:sc=       0  X(o=0,f=0)
USER  MOD Single : A  18 LYS NZ  :NH3+    141:sc=  -0.492   (180deg=-1.06)
USER  MOD Single : A  28 GLN     :FLIP  amide:sc=  -0.688! F(o=-1.2,f=-0.69!)
USER  MOD Single : A  29 THR OG1 :   rot   89:sc=   0.848
USER  MOD Single : A  31 SER OG  :   rot   20:sc= -0.0926
USER  MOD Single : A  32 CYS SG  :   rot   25:sc=     1.1
USER  MOD -----------------------------------------------------------------
ATOM     73  N   PHE A   5      -0.034  12.231  -4.837  1.00  0.00           N
ATOM     74  CA  PHE A   5      -0.713  11.736  -3.605  1.00  0.00           C
ATOM     75  C   PHE A   5       0.321  11.474  -2.506  1.00  0.00           C
ATOM     76  O   PHE A   5       1.377  12.074  -2.477  1.00  0.00           O
ATOM     77  CB  PHE A   5      -1.395  10.433  -4.022  1.00  0.00           C
ATOM     78  CG  PHE A   5      -2.273  10.684  -5.225  1.00  0.00           C
ATOM     79  CD1 PHE A   5      -3.406  11.496  -5.106  1.00  0.00           C
ATOM     80  CD2 PHE A   5      -1.955  10.101  -6.458  1.00  0.00           C
ATOM     81  CE1 PHE A   5      -4.221  11.727  -6.220  1.00  0.00           C
ATOM     82  CE2 PHE A   5      -2.770  10.331  -7.572  1.00  0.00           C
ATOM     83  CZ  PHE A   5      -3.903  11.145  -7.454  1.00  0.00           C
ATOM      0  HA  PHE A   5      -1.427  12.457  -3.207  1.00  0.00           H   new
ATOM      0  HB2 PHE A   5      -0.645   9.677  -4.257  1.00  0.00           H   new
ATOM      0  HB3 PHE A   5      -1.993  10.043  -3.198  1.00  0.00           H   new
ATOM      0  HD1 PHE A   5      -3.652  11.944  -4.155  1.00  0.00           H   new
ATOM      0  HD2 PHE A   5      -1.081   9.474  -6.549  1.00  0.00           H   new
ATOM      0  HE1 PHE A   5      -5.095  12.354  -6.128  1.00  0.00           H   new
ATOM      0  HE2 PHE A   5      -2.525   9.881  -8.523  1.00  0.00           H   new
ATOM      0  HZ  PHE A   5      -4.531  11.324  -8.314  1.00  0.00           H   new
ATOM     93  N   SER A   6       0.026  10.582  -1.601  1.00  0.00           N
ATOM     94  CA  SER A   6       0.993  10.282  -0.507  1.00  0.00           C
ATOM     95  C   SER A   6       0.846   8.827  -0.056  1.00  0.00           C
ATOM     96  O   SER A   6      -0.247   8.309   0.055  1.00  0.00           O
ATOM     97  CB  SER A   6       0.620  11.236   0.626  1.00  0.00           C
ATOM     98  OG  SER A   6       1.652  12.200   0.789  1.00  0.00           O
ATOM      0  H   SER A   6      -0.842  10.048  -1.571  1.00  0.00           H   new
ATOM      0  HA  SER A   6       2.028  10.413  -0.824  1.00  0.00           H   new
ATOM      0  HB2 SER A   6      -0.325  11.732   0.403  1.00  0.00           H   new
ATOM      0  HB3 SER A   6       0.477  10.680   1.552  1.00  0.00           H   new
ATOM      0  HG  SER A   6       1.414  12.814   1.514  1.00  0.00           H   new
ATOM    104  N   ARG A   7       1.939   8.164   0.206  1.00  0.00           N
ATOM    105  CA  ARG A   7       1.858   6.743   0.650  1.00  0.00           C
ATOM    106  C   ARG A   7       1.515   6.672   2.141  1.00  0.00           C
ATOM    107  O   ARG A   7       1.687   7.626   2.873  1.00  0.00           O
ATOM    108  CB  ARG A   7       3.251   6.162   0.384  1.00  0.00           C
ATOM    109  CG  ARG A   7       4.223   6.618   1.475  1.00  0.00           C
ATOM    110  CD  ARG A   7       5.545   7.049   0.837  1.00  0.00           C
ATOM    111  NE  ARG A   7       5.481   8.535   0.788  1.00  0.00           N
ATOM    112  CZ  ARG A   7       6.511   9.245   1.160  1.00  0.00           C
ATOM    113  NH1 ARG A   7       7.525   9.398   0.352  1.00  0.00           N
ATOM    114  NH2 ARG A   7       6.528   9.803   2.340  1.00  0.00           N
ATOM      0  H   ARG A   7       2.883   8.544   0.132  1.00  0.00           H   new
ATOM      0  HA  ARG A   7       1.082   6.189   0.123  1.00  0.00           H   new
ATOM      0  HB2 ARG A   7       3.202   5.073   0.360  1.00  0.00           H   new
ATOM      0  HB3 ARG A   7       3.609   6.486  -0.593  1.00  0.00           H   new
ATOM      0  HG2 ARG A   7       3.792   7.446   2.037  1.00  0.00           H   new
ATOM      0  HG3 ARG A   7       4.396   5.808   2.183  1.00  0.00           H   new
ATOM      0  HD2 ARG A   7       6.397   6.710   1.426  1.00  0.00           H   new
ATOM      0  HD3 ARG A   7       5.659   6.625  -0.161  1.00  0.00           H   new
ATOM      0  HE  ARG A   7       4.632   8.999   0.464  1.00  0.00           H   new
ATOM      0 HH11 ARG A   7       7.512   8.963  -0.570  1.00  0.00           H   new
ATOM      0 HH12 ARG A   7       8.330   9.953   0.643  1.00  0.00           H   new
ATOM      0 HH21 ARG A   7       5.736   9.684   2.972  1.00  0.00           H   new
ATOM      0 HH22 ARG A   7       7.333  10.358   2.630  1.00  0.00           H   new
ATOM    128  N   CYS A   8       1.029   5.550   2.595  1.00  0.00           N
ATOM    129  CA  CYS A   8       0.674   5.420   4.036  1.00  0.00           C
ATOM    130  C   CYS A   8       1.899   4.981   4.844  1.00  0.00           C
ATOM    131  O   CYS A   8       2.684   4.171   4.392  1.00  0.00           O
ATOM    132  CB  CYS A   8      -0.411   4.345   4.082  1.00  0.00           C
ATOM    133  SG  CYS A   8      -1.886   5.010   4.893  1.00  0.00           S
ATOM      0  H   CYS A   8       0.862   4.717   2.030  1.00  0.00           H   new
ATOM      0  HA  CYS A   8       0.332   6.362   4.464  1.00  0.00           H   new
ATOM      0  HB2 CYS A   8      -0.655   4.017   3.072  1.00  0.00           H   new
ATOM      0  HB3 CYS A   8      -0.049   3.471   4.623  1.00  0.00           H   new
ATOM      0  HG  CYS A   8      -2.949   4.594   4.270  1.00  0.00           H   new
ATOM    138  N   PRO A   9       2.018   5.534   6.020  1.00  0.00           N
ATOM    139  CA  PRO A   9       3.156   5.198   6.909  1.00  0.00           C
ATOM    140  C   PRO A   9       2.983   3.792   7.489  1.00  0.00           C
ATOM    141  O   PRO A   9       1.886   3.277   7.577  1.00  0.00           O
ATOM    142  CB  PRO A   9       3.078   6.256   8.005  1.00  0.00           C
ATOM    143  CG  PRO A   9       1.647   6.687   8.026  1.00  0.00           C
ATOM    144  CD  PRO A   9       1.111   6.513   6.627  1.00  0.00           C
ATOM      0  HA  PRO A   9       4.117   5.196   6.395  1.00  0.00           H   new
ATOM      0  HB2 PRO A   9       3.382   5.848   8.969  1.00  0.00           H   new
ATOM      0  HB3 PRO A   9       3.740   7.095   7.791  1.00  0.00           H   new
ATOM      0  HG2 PRO A   9       1.075   6.089   8.735  1.00  0.00           H   new
ATOM      0  HG3 PRO A   9       1.562   7.726   8.345  1.00  0.00           H   new
ATOM      0  HD2 PRO A   9       0.082   6.153   6.635  1.00  0.00           H   new
ATOM      0  HD3 PRO A   9       1.114   7.455   6.078  1.00  0.00           H   new
ATOM    152  N   LYS A  10       4.057   3.166   7.885  1.00  0.00           N
ATOM    153  CA  LYS A  10       3.952   1.793   8.459  1.00  0.00           C
ATOM    154  C   LYS A  10       3.018   1.792   9.671  1.00  0.00           C
ATOM    155  O   LYS A  10       2.362   0.811   9.960  1.00  0.00           O
ATOM    156  CB  LYS A  10       5.377   1.431   8.879  1.00  0.00           C
ATOM    157  CG  LYS A  10       5.463  -0.071   9.158  1.00  0.00           C
ATOM    158  CD  LYS A  10       5.968  -0.795   7.909  1.00  0.00           C
ATOM    159  CE  LYS A  10       6.237  -2.264   8.244  1.00  0.00           C
ATOM    160  NZ  LYS A  10       7.152  -2.743   7.169  1.00  0.00           N
ATOM      0  H   LYS A  10       5.003   3.545   7.836  1.00  0.00           H   new
ATOM      0  HA  LYS A  10       3.542   1.078   7.745  1.00  0.00           H   new
ATOM      0  HB2 LYS A  10       6.080   1.706   8.093  1.00  0.00           H   new
ATOM      0  HB3 LYS A  10       5.659   1.993   9.769  1.00  0.00           H   new
ATOM      0  HG2 LYS A  10       6.135  -0.258   9.996  1.00  0.00           H   new
ATOM      0  HG3 LYS A  10       4.484  -0.455   9.443  1.00  0.00           H   new
ATOM      0  HD2 LYS A  10       5.230  -0.722   7.110  1.00  0.00           H   new
ATOM      0  HD3 LYS A  10       6.880  -0.321   7.545  1.00  0.00           H   new
ATOM      0  HE2 LYS A  10       6.695  -2.367   9.228  1.00  0.00           H   new
ATOM      0  HE3 LYS A  10       5.312  -2.841   8.261  1.00  0.00           H   new
ATOM      0  HZ1 LYS A  10       7.382  -3.744   7.330  1.00  0.00           H   new
ATOM      0  HZ2 LYS A  10       6.686  -2.639   6.245  1.00  0.00           H   new
ATOM      0  HZ3 LYS A  10       8.026  -2.180   7.181  1.00  0.00           H   new
ATOM    174  N   GLN A  11       2.951   2.883  10.383  1.00  0.00           N
ATOM    175  CA  GLN A  11       2.059   2.943  11.577  1.00  0.00           C
ATOM    176  C   GLN A  11       0.598   2.754  11.159  1.00  0.00           C
ATOM    177  O   GLN A  11      -0.188   2.159  11.869  1.00  0.00           O
ATOM    178  CB  GLN A  11       2.275   4.339  12.162  1.00  0.00           C
ATOM    179  CG  GLN A  11       3.665   4.420  12.793  1.00  0.00           C
ATOM    180  CD  GLN A  11       4.588   5.244  11.894  1.00  0.00           C
ATOM    181  OE1 GLN A  11       5.494   4.713  11.284  1.00  0.00           O
ATOM    182  NE2 GLN A  11       4.392   6.529  11.785  1.00  0.00           N
ATOM      0  H   GLN A  11       3.475   3.736  10.190  1.00  0.00           H   new
ATOM      0  HA  GLN A  11       2.284   2.159  12.300  1.00  0.00           H   new
ATOM      0  HB2 GLN A  11       2.175   5.092  11.380  1.00  0.00           H   new
ATOM      0  HB3 GLN A  11       1.512   4.553  12.910  1.00  0.00           H   new
ATOM      0  HG2 GLN A  11       3.601   4.876  13.781  1.00  0.00           H   new
ATOM      0  HG3 GLN A  11       4.073   3.418  12.930  1.00  0.00           H   new
ATOM      0 HE21 GLN A  11       3.631   6.974  12.298  1.00  0.00           H   new
ATOM      0 HE22 GLN A  11       5.000   7.089  11.187  1.00  0.00           H   new
ATOM    191  N   TYR A  12       0.228   3.257  10.013  1.00  0.00           N
ATOM    192  CA  TYR A  12      -1.182   3.107   9.553  1.00  0.00           C
ATOM    193  C   TYR A  12      -1.306   1.904   8.613  1.00  0.00           C
ATOM    194  O   TYR A  12      -2.370   1.603   8.111  1.00  0.00           O
ATOM    195  CB  TYR A  12      -1.495   4.402   8.803  1.00  0.00           C
ATOM    196  CG  TYR A  12      -2.389   5.276   9.649  1.00  0.00           C
ATOM    197  CD1 TYR A  12      -3.613   4.782  10.118  1.00  0.00           C
ATOM    198  CD2 TYR A  12      -1.994   6.581   9.964  1.00  0.00           C
ATOM    199  CE1 TYR A  12      -4.441   5.594  10.901  1.00  0.00           C
ATOM    200  CE2 TYR A  12      -2.822   7.393  10.748  1.00  0.00           C
ATOM    201  CZ  TYR A  12      -4.046   6.899  11.217  1.00  0.00           C
ATOM    202  OH  TYR A  12      -4.863   7.701  11.989  1.00  0.00           O
ATOM      0  H   TYR A  12       0.841   3.765   9.375  1.00  0.00           H   new
ATOM      0  HA  TYR A  12      -1.870   2.938  10.382  1.00  0.00           H   new
ATOM      0  HB2 TYR A  12      -0.571   4.930   8.568  1.00  0.00           H   new
ATOM      0  HB3 TYR A  12      -1.983   4.176   7.855  1.00  0.00           H   new
ATOM      0  HD1 TYR A  12      -3.918   3.775   9.875  1.00  0.00           H   new
ATOM      0  HD2 TYR A  12      -1.050   6.962   9.602  1.00  0.00           H   new
ATOM      0  HE1 TYR A  12      -5.385   5.214  11.262  1.00  0.00           H   new
ATOM      0  HE2 TYR A  12      -2.517   8.400  10.991  1.00  0.00           H   new
ATOM      0  HH  TYR A  12      -4.439   8.575  12.115  1.00  0.00           H   new
ATOM    212  N   LYS A  13      -0.223   1.218   8.368  1.00  0.00           N
ATOM    213  CA  LYS A  13      -0.281   0.040   7.455  1.00  0.00           C
ATOM    214  C   LYS A  13      -0.601  -1.233   8.244  1.00  0.00           C
ATOM    215  O   LYS A  13       0.032  -2.256   8.074  1.00  0.00           O
ATOM    216  CB  LYS A  13       1.113  -0.049   6.835  1.00  0.00           C
ATOM    217  CG  LYS A  13       0.985  -0.216   5.319  1.00  0.00           C
ATOM    218  CD  LYS A  13       1.708   0.934   4.615  1.00  0.00           C
ATOM    219  CE  LYS A  13       3.136   1.046   5.153  1.00  0.00           C
ATOM    220  NZ  LYS A  13       4.012   0.771   3.980  1.00  0.00           N
ATOM      0  H   LYS A  13       0.697   1.421   8.759  1.00  0.00           H   new
ATOM      0  HA  LYS A  13      -1.059   0.144   6.699  1.00  0.00           H   new
ATOM      0  HB2 LYS A  13       1.684   0.850   7.066  1.00  0.00           H   new
ATOM      0  HB3 LYS A  13       1.659  -0.891   7.260  1.00  0.00           H   new
ATOM      0  HG2 LYS A  13       1.411  -1.171   5.011  1.00  0.00           H   new
ATOM      0  HG3 LYS A  13      -0.066  -0.229   5.032  1.00  0.00           H   new
ATOM      0  HD2 LYS A  13       1.726   0.761   3.539  1.00  0.00           H   new
ATOM      0  HD3 LYS A  13       1.172   1.869   4.779  1.00  0.00           H   new
ATOM      0  HE2 LYS A  13       3.326   2.037   5.564  1.00  0.00           H   new
ATOM      0  HE3 LYS A  13       3.313   0.329   5.955  1.00  0.00           H   new
ATOM      0  HZ1 LYS A  13       5.009   0.830   4.270  1.00  0.00           H   new
ATOM      0  HZ2 LYS A  13       3.813  -0.182   3.614  1.00  0.00           H   new
ATOM      0  HZ3 LYS A  13       3.826   1.473   3.236  1.00  0.00           H   new
ATOM    234  N   HIS A  14      -1.590  -1.186   9.093  1.00  0.00           N
ATOM    235  CA  HIS A  14      -1.943  -2.401   9.881  1.00  0.00           C
ATOM    236  C   HIS A  14      -2.902  -3.265   9.068  1.00  0.00           C
ATOM    237  O   HIS A  14      -3.129  -4.419   9.372  1.00  0.00           O
ATOM    238  CB  HIS A  14      -2.630  -1.874  11.141  1.00  0.00           C
ATOM    239  CG  HIS A  14      -1.646  -1.852  12.277  1.00  0.00           C
ATOM    240  ND1 HIS A  14      -0.407  -1.240  12.170  1.00  0.00           N
ATOM    241  CD2 HIS A  14      -1.703  -2.361  13.551  1.00  0.00           C
ATOM    242  CE1 HIS A  14       0.225  -1.396  13.347  1.00  0.00           C
ATOM    243  NE2 HIS A  14      -0.521  -2.072  14.225  1.00  0.00           N
ATOM      0  H   HIS A  14      -2.166  -0.364   9.275  1.00  0.00           H   new
ATOM      0  HA  HIS A  14      -1.075  -3.013  10.126  1.00  0.00           H   new
ATOM      0  HB2 HIS A  14      -3.019  -0.871  10.964  1.00  0.00           H   new
ATOM      0  HB3 HIS A  14      -3.481  -2.506  11.395  1.00  0.00           H   new
ATOM      0  HD2 HIS A  14      -2.539  -2.904  13.967  1.00  0.00           H   new
ATOM      0  HE1 HIS A  14       1.216  -1.020  13.557  1.00  0.00           H   new
ATOM      0  HE2 HIS A  14      -0.277  -2.322  15.183  1.00  0.00           H   new
ATOM    251  N   TYR A  15      -3.443  -2.719   8.017  1.00  0.00           N
ATOM    252  CA  TYR A  15      -4.361  -3.512   7.158  1.00  0.00           C
ATOM    253  C   TYR A  15      -3.554  -4.207   6.058  1.00  0.00           C
ATOM    254  O   TYR A  15      -4.092  -4.923   5.239  1.00  0.00           O
ATOM    255  CB  TYR A  15      -5.341  -2.499   6.555  1.00  0.00           C
ATOM    256  CG  TYR A  15      -4.583  -1.321   5.989  1.00  0.00           C
ATOM    257  CD1 TYR A  15      -3.779  -1.482   4.854  1.00  0.00           C
ATOM    258  CD2 TYR A  15      -4.682  -0.067   6.604  1.00  0.00           C
ATOM    259  CE1 TYR A  15      -3.075  -0.388   4.334  1.00  0.00           C
ATOM    260  CE2 TYR A  15      -3.979   1.026   6.084  1.00  0.00           C
ATOM    261  CZ  TYR A  15      -3.176   0.866   4.948  1.00  0.00           C
ATOM    262  OH  TYR A  15      -2.483   1.942   4.436  1.00  0.00           O
ATOM      0  H   TYR A  15      -3.289  -1.757   7.716  1.00  0.00           H   new
ATOM      0  HA  TYR A  15      -4.889  -4.285   7.716  1.00  0.00           H   new
ATOM      0  HB2 TYR A  15      -5.931  -2.974   5.771  1.00  0.00           H   new
ATOM      0  HB3 TYR A  15      -6.041  -2.159   7.318  1.00  0.00           H   new
ATOM      0  HD1 TYR A  15      -3.702  -2.449   4.380  1.00  0.00           H   new
ATOM      0  HD2 TYR A  15      -5.301   0.057   7.480  1.00  0.00           H   new
ATOM      0  HE1 TYR A  15      -2.454  -0.512   3.459  1.00  0.00           H   new
ATOM      0  HE2 TYR A  15      -4.056   1.993   6.559  1.00  0.00           H   new
ATOM      0  HH  TYR A  15      -2.626   2.725   5.007  1.00  0.00           H   new
ATOM    272  N   CYS A  16      -2.260  -3.998   6.035  1.00  0.00           N
ATOM    273  CA  CYS A  16      -1.423  -4.651   4.986  1.00  0.00           C
ATOM    274  C   CYS A  16       0.045  -4.678   5.422  1.00  0.00           C
ATOM    275  O   CYS A  16       0.642  -3.653   5.688  1.00  0.00           O
ATOM    276  CB  CYS A  16      -1.595  -3.778   3.742  1.00  0.00           C
ATOM    277  SG  CYS A  16      -3.008  -4.372   2.780  1.00  0.00           S
ATOM      0  H   CYS A  16      -1.752  -3.407   6.693  1.00  0.00           H   new
ATOM      0  HA  CYS A  16      -1.720  -5.684   4.804  1.00  0.00           H   new
ATOM      0  HB2 CYS A  16      -1.750  -2.739   4.032  1.00  0.00           H   new
ATOM      0  HB3 CYS A  16      -0.690  -3.808   3.135  1.00  0.00           H   new
ATOM      0  HG  CYS A  16      -2.729  -5.536   2.272  1.00  0.00           H   new
ATOM    282  N   ILE A  17       0.633  -5.841   5.496  1.00  0.00           N
ATOM    283  CA  ILE A  17       2.063  -5.924   5.913  1.00  0.00           C
ATOM    284  C   ILE A  17       2.973  -5.531   4.745  1.00  0.00           C
ATOM    285  O   ILE A  17       3.483  -4.430   4.690  1.00  0.00           O
ATOM    286  CB  ILE A  17       2.280  -7.385   6.303  1.00  0.00           C
ATOM    287  CG1 ILE A  17       1.587  -7.664   7.639  1.00  0.00           C
ATOM    288  CG2 ILE A  17       3.779  -7.660   6.441  1.00  0.00           C
ATOM    289  CD1 ILE A  17       2.237  -6.819   8.737  1.00  0.00           C
ATOM      0  H   ILE A  17       0.188  -6.734   5.287  1.00  0.00           H   new
ATOM      0  HA  ILE A  17       2.296  -5.249   6.737  1.00  0.00           H   new
ATOM      0  HB  ILE A  17       1.861  -8.032   5.532  1.00  0.00           H   new
ATOM      0 HG12 ILE A  17       0.525  -7.430   7.566  1.00  0.00           H   new
ATOM      0 HG13 ILE A  17       1.664  -8.723   7.887  1.00  0.00           H   new
ATOM      0 HG21 ILE A  17       3.934  -8.702   6.719  1.00  0.00           H   new
ATOM      0 HG22 ILE A  17       4.274  -7.461   5.491  1.00  0.00           H   new
ATOM      0 HG23 ILE A  17       4.198  -7.013   7.211  1.00  0.00           H   new
ATOM      0 HD11 ILE A  17       1.744  -7.017   9.689  1.00  0.00           H   new
ATOM      0 HD12 ILE A  17       3.294  -7.075   8.816  1.00  0.00           H   new
ATOM      0 HD13 ILE A  17       2.137  -5.762   8.490  1.00  0.00           H   new
ATOM    301  N   LYS A  18       3.183  -6.419   3.809  1.00  0.00           N
ATOM    302  CA  LYS A  18       4.060  -6.077   2.650  1.00  0.00           C
ATOM    303  C   LYS A  18       3.230  -5.463   1.519  1.00  0.00           C
ATOM    304  O   LYS A  18       3.279  -5.901   0.386  1.00  0.00           O
ATOM    305  CB  LYS A  18       4.681  -7.404   2.211  1.00  0.00           C
ATOM    306  CG  LYS A  18       3.590  -8.332   1.669  1.00  0.00           C
ATOM    307  CD  LYS A  18       4.150  -9.746   1.503  1.00  0.00           C
ATOM    308  CE  LYS A  18       4.893 -10.167   2.775  1.00  0.00           C
ATOM    309  NZ  LYS A  18       6.337  -9.969   2.460  1.00  0.00           N
ATOM      0  H   LYS A  18       2.789  -7.360   3.796  1.00  0.00           H   new
ATOM      0  HA  LYS A  18       4.822  -5.344   2.913  1.00  0.00           H   new
ATOM      0  HB2 LYS A  18       5.435  -7.227   1.444  1.00  0.00           H   new
ATOM      0  HB3 LYS A  18       5.187  -7.876   3.053  1.00  0.00           H   new
ATOM      0  HG2 LYS A  18       2.739  -8.345   2.350  1.00  0.00           H   new
ATOM      0  HG3 LYS A  18       3.226  -7.960   0.711  1.00  0.00           H   new
ATOM      0  HD2 LYS A  18       3.340 -10.445   1.297  1.00  0.00           H   new
ATOM      0  HD3 LYS A  18       4.826  -9.781   0.649  1.00  0.00           H   new
ATOM      0  HE2 LYS A  18       4.588  -9.562   3.629  1.00  0.00           H   new
ATOM      0  HE3 LYS A  18       4.683 -11.206   3.029  1.00  0.00           H   new
ATOM      0  HZ1 LYS A  18       6.825  -9.588   3.295  1.00  0.00           H   new
ATOM      0  HZ2 LYS A  18       6.763 -10.880   2.196  1.00  0.00           H   new
ATOM      0  HZ3 LYS A  18       6.431  -9.301   1.669  1.00  0.00           H   new
ATOM    323  N   GLY A  19       2.468  -4.446   1.817  1.00  0.00           N
ATOM    324  CA  GLY A  19       1.637  -3.801   0.763  1.00  0.00           C
ATOM    325  C   GLY A  19       1.615  -2.287   0.985  1.00  0.00           C
ATOM    326  O   GLY A  19       1.489  -1.815   2.098  1.00  0.00           O
ATOM      0  H   GLY A  19       2.386  -4.034   2.746  1.00  0.00           H   new
ATOM      0  HA2 GLY A  19       2.041  -4.029  -0.223  1.00  0.00           H   new
ATOM      0  HA3 GLY A  19       0.622  -4.198   0.791  1.00  0.00           H   new
ATOM    330  N   ARG A  20       1.734  -1.521  -0.065  1.00  0.00           N
ATOM    331  CA  ARG A  20       1.716  -0.037   0.086  1.00  0.00           C
ATOM    332  C   ARG A  20       0.315   0.501  -0.219  1.00  0.00           C
ATOM    333  O   ARG A  20      -0.313   0.109  -1.181  1.00  0.00           O
ATOM    334  CB  ARG A  20       2.727   0.478  -0.940  1.00  0.00           C
ATOM    335  CG  ARG A  20       4.004  -0.363  -0.866  1.00  0.00           C
ATOM    336  CD  ARG A  20       5.227   0.556  -0.921  1.00  0.00           C
ATOM    337  NE  ARG A  20       6.094  -0.022  -1.985  1.00  0.00           N
ATOM    338  CZ  ARG A  20       6.074   0.482  -3.189  1.00  0.00           C
ATOM    339  NH1 ARG A  20       6.318   1.752  -3.369  1.00  0.00           N
ATOM    340  NH2 ARG A  20       5.811  -0.283  -4.213  1.00  0.00           N
ATOM      0  H   ARG A  20       1.843  -1.858  -1.021  1.00  0.00           H   new
ATOM      0  HA  ARG A  20       1.968   0.283   1.097  1.00  0.00           H   new
ATOM      0  HB2 ARG A  20       2.302   0.426  -1.942  1.00  0.00           H   new
ATOM      0  HB3 ARG A  20       2.957   1.526  -0.745  1.00  0.00           H   new
ATOM      0  HG2 ARG A  20       4.015  -0.945   0.055  1.00  0.00           H   new
ATOM      0  HG3 ARG A  20       4.032  -1.073  -1.692  1.00  0.00           H   new
ATOM      0  HD2 ARG A  20       4.941   1.581  -1.158  1.00  0.00           H   new
ATOM      0  HD3 ARG A  20       5.744   0.583   0.038  1.00  0.00           H   new
ATOM      0  HE  ARG A  20       6.704  -0.812  -1.773  1.00  0.00           H   new
ATOM      0 HH11 ARG A  20       6.524   2.350  -2.569  1.00  0.00           H   new
ATOM      0 HH12 ARG A  20       6.302   2.146  -4.310  1.00  0.00           H   new
ATOM      0 HH21 ARG A  20       5.621  -1.275  -4.073  1.00  0.00           H   new
ATOM      0 HH22 ARG A  20       5.795   0.111  -5.154  1.00  0.00           H   new
ATOM    354  N   CYS A  21      -0.181   1.391   0.597  1.00  0.00           N
ATOM    355  CA  CYS A  21      -1.546   1.944   0.355  1.00  0.00           C
ATOM    356  C   CYS A  21      -1.474   3.445   0.055  1.00  0.00           C
ATOM    357  O   CYS A  21      -0.827   4.197   0.755  1.00  0.00           O
ATOM    358  CB  CYS A  21      -2.303   1.691   1.659  1.00  0.00           C
ATOM    359  SG  CYS A  21      -3.849   2.634   1.657  1.00  0.00           S
ATOM      0  H   CYS A  21       0.298   1.759   1.419  1.00  0.00           H   new
ATOM      0  HA  CYS A  21      -2.034   1.480  -0.502  1.00  0.00           H   new
ATOM      0  HB2 CYS A  21      -2.514   0.627   1.768  1.00  0.00           H   new
ATOM      0  HB3 CYS A  21      -1.688   1.983   2.511  1.00  0.00           H   new
ATOM      0  HG  CYS A  21      -4.183   2.918   0.433  1.00  0.00           H   new
ATOM    364  N   ARG A  22      -2.145   3.883  -0.976  1.00  0.00           N
ATOM    365  CA  ARG A  22      -2.127   5.334  -1.318  1.00  0.00           C
ATOM    366  C   ARG A  22      -3.353   6.024  -0.715  1.00  0.00           C
ATOM    367  O   ARG A  22      -4.472   5.588  -0.895  1.00  0.00           O
ATOM    368  CB  ARG A  22      -2.181   5.383  -2.845  1.00  0.00           C
ATOM    369  CG  ARG A  22      -1.103   4.465  -3.423  1.00  0.00           C
ATOM    370  CD  ARG A  22       0.264   5.140  -3.295  1.00  0.00           C
ATOM    371  NE  ARG A  22       0.565   5.657  -4.659  1.00  0.00           N
ATOM    372  CZ  ARG A  22       1.496   6.556  -4.824  1.00  0.00           C
ATOM    373  NH1 ARG A  22       1.656   7.500  -3.936  1.00  0.00           N
ATOM    374  NH2 ARG A  22       2.265   6.513  -5.877  1.00  0.00           N
ATOM      0  H   ARG A  22      -2.705   3.298  -1.596  1.00  0.00           H   new
ATOM      0  HA  ARG A  22      -1.246   5.843  -0.928  1.00  0.00           H   new
ATOM      0  HB2 ARG A  22      -3.165   5.071  -3.195  1.00  0.00           H   new
ATOM      0  HB3 ARG A  22      -2.028   6.405  -3.192  1.00  0.00           H   new
ATOM      0  HG2 ARG A  22      -1.101   3.512  -2.895  1.00  0.00           H   new
ATOM      0  HG3 ARG A  22      -1.317   4.249  -4.470  1.00  0.00           H   new
ATOM      0  HD2 ARG A  22       0.239   5.947  -2.563  1.00  0.00           H   new
ATOM      0  HD3 ARG A  22       1.024   4.433  -2.964  1.00  0.00           H   new
ATOM      0  HE  ARG A  22       0.044   5.308  -5.463  1.00  0.00           H   new
ATOM      0 HH11 ARG A  22       1.053   7.534  -3.114  1.00  0.00           H   new
ATOM      0 HH12 ARG A  22       2.384   8.203  -4.065  1.00  0.00           H   new
ATOM      0 HH21 ARG A  22       2.138   5.777  -6.571  1.00  0.00           H   new
ATOM      0 HH22 ARG A  22       2.993   7.216  -6.006  1.00  0.00           H   new
ATOM    388  N   PHE A  23      -3.153   7.094   0.003  1.00  0.00           N
ATOM    389  CA  PHE A  23      -4.311   7.804   0.619  1.00  0.00           C
ATOM    390  C   PHE A  23      -4.416   9.226   0.066  1.00  0.00           C
ATOM    391  O   PHE A  23      -3.602  10.079   0.361  1.00  0.00           O
ATOM    392  CB  PHE A  23      -4.002   7.832   2.116  1.00  0.00           C
ATOM    393  CG  PHE A  23      -5.291   7.939   2.895  1.00  0.00           C
ATOM    394  CD1 PHE A  23      -6.172   8.998   2.648  1.00  0.00           C
ATOM    395  CD2 PHE A  23      -5.605   6.979   3.865  1.00  0.00           C
ATOM    396  CE1 PHE A  23      -7.367   9.099   3.370  1.00  0.00           C
ATOM    397  CE2 PHE A  23      -6.800   7.080   4.587  1.00  0.00           C
ATOM    398  CZ  PHE A  23      -7.681   8.139   4.340  1.00  0.00           C
ATOM      0  H   PHE A  23      -2.240   7.508   0.190  1.00  0.00           H   new
ATOM      0  HA  PHE A  23      -5.260   7.312   0.406  1.00  0.00           H   new
ATOM      0  HB2 PHE A  23      -3.465   6.928   2.404  1.00  0.00           H   new
ATOM      0  HB3 PHE A  23      -3.353   8.676   2.348  1.00  0.00           H   new
ATOM      0  HD1 PHE A  23      -5.930   9.738   1.900  1.00  0.00           H   new
ATOM      0  HD2 PHE A  23      -4.926   6.161   4.056  1.00  0.00           H   new
ATOM      0  HE1 PHE A  23      -8.046   9.917   3.179  1.00  0.00           H   new
ATOM      0  HE2 PHE A  23      -7.042   6.340   5.335  1.00  0.00           H   new
ATOM      0  HZ  PHE A  23      -8.603   8.216   4.897  1.00  0.00           H   new
ATOM    408  N   VAL A  24      -5.417   9.493  -0.730  1.00  0.00           N
ATOM    409  CA  VAL A  24      -5.569  10.865  -1.293  1.00  0.00           C
ATOM    410  C   VAL A  24      -6.338  11.755  -0.312  1.00  0.00           C
ATOM    411  O   VAL A  24      -7.444  11.441   0.089  1.00  0.00           O
ATOM    412  CB  VAL A  24      -6.362  10.680  -2.587  1.00  0.00           C
ATOM    413  CG1 VAL A  24      -6.345  11.984  -3.386  1.00  0.00           C
ATOM    414  CG2 VAL A  24      -5.725   9.566  -3.418  1.00  0.00           C
ATOM      0  H   VAL A  24      -6.133   8.824  -1.013  1.00  0.00           H   new
ATOM      0  HA  VAL A  24      -4.608  11.346  -1.473  1.00  0.00           H   new
ATOM      0  HB  VAL A  24      -7.392  10.414  -2.348  1.00  0.00           H   new
ATOM      0 HG11 VAL A  24      -6.910  11.853  -4.309  1.00  0.00           H   new
ATOM      0 HG12 VAL A  24      -6.797  12.780  -2.794  1.00  0.00           H   new
ATOM      0 HG13 VAL A  24      -5.316  12.250  -3.626  1.00  0.00           H   new
ATOM      0 HG21 VAL A  24      -6.289   9.433  -4.341  1.00  0.00           H   new
ATOM      0 HG22 VAL A  24      -4.696   9.834  -3.657  1.00  0.00           H   new
ATOM      0 HG23 VAL A  24      -5.735   8.636  -2.849  1.00  0.00           H   new
ATOM    424  N   VAL A  25      -5.754  12.859   0.079  1.00  0.00           N
ATOM    425  CA  VAL A  25      -6.438  13.775   1.039  1.00  0.00           C
ATOM    426  C   VAL A  25      -7.484  14.626   0.314  1.00  0.00           C
ATOM    427  O   VAL A  25      -8.659  14.560   0.614  1.00  0.00           O
ATOM    428  CB  VAL A  25      -5.326  14.660   1.604  1.00  0.00           C
ATOM    429  CG1 VAL A  25      -5.871  15.479   2.776  1.00  0.00           C
ATOM    430  CG2 VAL A  25      -4.174  13.779   2.092  1.00  0.00           C
ATOM      0  H   VAL A  25      -4.830  13.166  -0.227  1.00  0.00           H   new
ATOM      0  HA  VAL A  25      -6.964  13.229   1.822  1.00  0.00           H   new
ATOM      0  HB  VAL A  25      -4.967  15.333   0.826  1.00  0.00           H   new
ATOM      0 HG11 VAL A  25      -5.079  16.110   3.179  1.00  0.00           H   new
ATOM      0 HG12 VAL A  25      -6.693  16.106   2.431  1.00  0.00           H   new
ATOM      0 HG13 VAL A  25      -6.230  14.806   3.555  1.00  0.00           H   new
ATOM      0 HG21 VAL A  25      -3.380  14.408   2.495  1.00  0.00           H   new
ATOM      0 HG22 VAL A  25      -4.535  13.107   2.870  1.00  0.00           H   new
ATOM      0 HG23 VAL A  25      -3.785  13.194   1.259  1.00  0.00           H   new
ATOM    440  N   ALA A  26      -7.066  15.425  -0.637  1.00  0.00           N
ATOM    441  CA  ALA A  26      -8.044  16.276  -1.380  1.00  0.00           C
ATOM    442  C   ALA A  26      -9.310  15.469  -1.665  1.00  0.00           C
ATOM    443  O   ALA A  26     -10.412  15.892  -1.378  1.00  0.00           O
ATOM    444  CB  ALA A  26      -7.336  16.647  -2.685  1.00  0.00           C
ATOM      0  H   ALA A  26      -6.094  15.524  -0.929  1.00  0.00           H   new
ATOM      0  HA  ALA A  26      -8.343  17.161  -0.819  1.00  0.00           H   new
ATOM      0  HB1 ALA A  26      -7.992  17.274  -3.289  1.00  0.00           H   new
ATOM      0  HB2 ALA A  26      -6.419  17.192  -2.459  1.00  0.00           H   new
ATOM      0  HB3 ALA A  26      -7.092  15.740  -3.237  1.00  0.00           H   new
ATOM    450  N   GLU A  27      -9.150  14.296  -2.206  1.00  0.00           N
ATOM    451  CA  GLU A  27     -10.325  13.431  -2.492  1.00  0.00           C
ATOM    452  C   GLU A  27     -10.237  12.172  -1.629  1.00  0.00           C
ATOM    453  O   GLU A  27      -9.549  11.231  -1.967  1.00  0.00           O
ATOM    454  CB  GLU A  27     -10.213  13.079  -3.976  1.00  0.00           C
ATOM    455  CG  GLU A  27     -11.485  12.358  -4.426  1.00  0.00           C
ATOM    456  CD  GLU A  27     -12.600  13.380  -4.650  1.00  0.00           C
ATOM    457  OE1 GLU A  27     -12.292  14.559  -4.710  1.00  0.00           O
ATOM    458  OE2 GLU A  27     -13.742  12.967  -4.756  1.00  0.00           O
ATOM      0  H   GLU A  27      -8.248  13.896  -2.464  1.00  0.00           H   new
ATOM      0  HA  GLU A  27     -11.275  13.918  -2.272  1.00  0.00           H   new
ATOM      0  HB2 GLU A  27     -10.067  13.984  -4.566  1.00  0.00           H   new
ATOM      0  HB3 GLU A  27      -9.343  12.445  -4.146  1.00  0.00           H   new
ATOM      0  HG2 GLU A  27     -11.295  11.804  -5.345  1.00  0.00           H   new
ATOM      0  HG3 GLU A  27     -11.789  11.631  -3.673  1.00  0.00           H   new
ATOM    465  N   GLN A  28     -10.911  12.163  -0.507  1.00  0.00           N
ATOM    466  CA  GLN A  28     -10.859  10.976   0.401  1.00  0.00           C
ATOM    467  C   GLN A  28     -10.796   9.676  -0.404  1.00  0.00           C
ATOM    468  O   GLN A  28     -11.807   9.116  -0.779  1.00  0.00           O
ATOM    469  CB  GLN A  28     -12.156  11.040   1.210  1.00  0.00           C
ATOM    470  CG  GLN A  28     -11.829  11.348   2.673  1.00  0.00           C
ATOM    471  CD  GLN A  28     -10.976  10.220   3.255  1.00  0.00           C
ATOM    472  OE1 GLN A  28     -11.338   8.981   3.066  1.00  0.00           O   flip
ATOM    473  NE2 GLN A  28      -9.970  10.467   3.889  1.00  0.00           N   flip
ATOM      0  H   GLN A  28     -11.498  12.930  -0.179  1.00  0.00           H   new
ATOM      0  HA  GLN A  28      -9.974  10.991   1.037  1.00  0.00           H   new
ATOM      0  HB2 GLN A  28     -12.813  11.809   0.803  1.00  0.00           H   new
ATOM      0  HB3 GLN A  28     -12.690  10.093   1.137  1.00  0.00           H   new
ATOM      0  HG2 GLN A  28     -11.296  12.296   2.745  1.00  0.00           H   new
ATOM      0  HG3 GLN A  28     -12.749  11.455   3.247  1.00  0.00           H   new
ATOM      0 HE21 GLN A  28      -9.686  11.435   4.038  1.00  0.00           H   new
ATOM      0 HE22 GLN A  28      -9.409   9.706   4.273  1.00  0.00           H   new
ATOM    482  N   THR A  29      -9.613   9.192  -0.673  1.00  0.00           N
ATOM    483  CA  THR A  29      -9.489   7.929  -1.456  1.00  0.00           C
ATOM    484  C   THR A  29      -8.397   7.034  -0.863  1.00  0.00           C
ATOM    485  O   THR A  29      -7.294   6.982  -1.372  1.00  0.00           O
ATOM    486  CB  THR A  29      -9.110   8.372  -2.869  1.00  0.00           C
ATOM    487  OG1 THR A  29     -10.027   9.359  -3.317  1.00  0.00           O
ATOM    488  CG2 THR A  29      -9.151   7.168  -3.811  1.00  0.00           C
ATOM      0  H   THR A  29      -8.730   9.615  -0.386  1.00  0.00           H   new
ATOM      0  HA  THR A  29     -10.412   7.349  -1.443  1.00  0.00           H   new
ATOM      0  HB  THR A  29      -8.103   8.790  -2.861  1.00  0.00           H   new
ATOM      0  HG1 THR A  29      -9.708  10.247  -3.052  1.00  0.00           H   new
ATOM      0 HG21 THR A  29      -8.881   7.485  -4.818  1.00  0.00           H   new
ATOM      0 HG22 THR A  29      -8.445   6.412  -3.467  1.00  0.00           H   new
ATOM      0 HG23 THR A  29     -10.157   6.748  -3.821  1.00  0.00           H   new
ATOM    496  N   PRO A  30      -8.747   6.357   0.196  1.00  0.00           N
ATOM    497  CA  PRO A  30      -7.792   5.445   0.867  1.00  0.00           C
ATOM    498  C   PRO A  30      -7.686   4.127   0.093  1.00  0.00           C
ATOM    499  O   PRO A  30      -8.297   3.139   0.447  1.00  0.00           O
ATOM    500  CB  PRO A  30      -8.421   5.216   2.236  1.00  0.00           C
ATOM    501  CG  PRO A  30      -9.887   5.455   2.044  1.00  0.00           C
ATOM    502  CD  PRO A  30     -10.052   6.380   0.863  1.00  0.00           C
ATOM      0  HA  PRO A  30      -6.781   5.849   0.928  1.00  0.00           H   new
ATOM      0  HB2 PRO A  30      -8.231   4.203   2.591  1.00  0.00           H   new
ATOM      0  HB3 PRO A  30      -8.006   5.897   2.978  1.00  0.00           H   new
ATOM      0  HG2 PRO A  30     -10.408   4.514   1.868  1.00  0.00           H   new
ATOM      0  HG3 PRO A  30     -10.323   5.898   2.940  1.00  0.00           H   new
ATOM      0  HD2 PRO A  30     -10.844   6.037   0.198  1.00  0.00           H   new
ATOM      0  HD3 PRO A  30     -10.317   7.388   1.182  1.00  0.00           H   new
ATOM    510  N   SER A  31      -6.918   4.103  -0.962  1.00  0.00           N
ATOM    511  CA  SER A  31      -6.781   2.847  -1.753  1.00  0.00           C
ATOM    512  C   SER A  31      -5.616   2.011  -1.217  1.00  0.00           C
ATOM    513  O   SER A  31      -4.534   2.513  -0.992  1.00  0.00           O
ATOM    514  CB  SER A  31      -6.500   3.307  -3.182  1.00  0.00           C
ATOM    515  OG  SER A  31      -5.317   4.096  -3.198  1.00  0.00           O
ATOM      0  H   SER A  31      -6.380   4.897  -1.310  1.00  0.00           H   new
ATOM      0  HA  SER A  31      -7.672   2.222  -1.696  1.00  0.00           H   new
ATOM      0  HB2 SER A  31      -6.384   2.444  -3.838  1.00  0.00           H   new
ATOM      0  HB3 SER A  31      -7.342   3.886  -3.562  1.00  0.00           H   new
ATOM      0  HG  SER A  31      -4.786   3.905  -2.397  1.00  0.00           H   new
ATOM    521  N   CYS A  32      -5.827   0.741  -1.009  1.00  0.00           N
ATOM    522  CA  CYS A  32      -4.728  -0.120  -0.487  1.00  0.00           C
ATOM    523  C   CYS A  32      -4.193  -1.029  -1.597  1.00  0.00           C
ATOM    524  O   CYS A  32      -4.940  -1.723  -2.260  1.00  0.00           O
ATOM    525  CB  CYS A  32      -5.367  -0.950   0.627  1.00  0.00           C
ATOM    526  SG  CYS A  32      -6.600  -2.067  -0.084  1.00  0.00           S
ATOM      0  H   CYS A  32      -6.712   0.262  -1.178  1.00  0.00           H   new
ATOM      0  HA  CYS A  32      -3.883   0.466  -0.124  1.00  0.00           H   new
ATOM      0  HB2 CYS A  32      -4.603  -1.522   1.153  1.00  0.00           H   new
ATOM      0  HB3 CYS A  32      -5.835  -0.294   1.361  1.00  0.00           H   new
ATOM      0  HG  CYS A  32      -6.310  -2.297  -1.330  1.00  0.00           H   new
ATOM    531  N   VAL A  33      -2.906  -1.029  -1.803  1.00  0.00           N
ATOM    532  CA  VAL A  33      -2.318  -1.892  -2.869  1.00  0.00           C
ATOM    533  C   VAL A  33      -1.186  -2.746  -2.293  1.00  0.00           C
ATOM    534  O   VAL A  33      -0.228  -2.237  -1.743  1.00  0.00           O
ATOM    535  CB  VAL A  33      -1.779  -0.915  -3.914  1.00  0.00           C
ATOM    536  CG1 VAL A  33      -1.240  -1.698  -5.114  1.00  0.00           C
ATOM    537  CG2 VAL A  33      -2.905   0.012  -4.376  1.00  0.00           C
ATOM      0  H   VAL A  33      -2.234  -0.468  -1.279  1.00  0.00           H   new
ATOM      0  HA  VAL A  33      -3.048  -2.581  -3.294  1.00  0.00           H   new
ATOM      0  HB  VAL A  33      -0.977  -0.322  -3.476  1.00  0.00           H   new
ATOM      0 HG11 VAL A  33      -0.856  -1.002  -5.860  1.00  0.00           H   new
ATOM      0 HG12 VAL A  33      -0.437  -2.359  -4.786  1.00  0.00           H   new
ATOM      0 HG13 VAL A  33      -2.043  -2.291  -5.552  1.00  0.00           H   new
ATOM      0 HG21 VAL A  33      -2.520   0.708  -5.121  1.00  0.00           H   new
ATOM      0 HG22 VAL A  33      -3.708  -0.581  -4.814  1.00  0.00           H   new
ATOM      0 HG23 VAL A  33      -3.290   0.570  -3.523  1.00  0.00           H   new
ATOM    547  N   CYS A  34      -1.287  -4.041  -2.413  1.00  0.00           N
ATOM    548  CA  CYS A  34      -0.218  -4.928  -1.870  1.00  0.00           C
ATOM    549  C   CYS A  34       0.864  -5.164  -2.928  1.00  0.00           C
ATOM    550  O   CYS A  34       0.634  -4.998  -4.110  1.00  0.00           O
ATOM    551  CB  CYS A  34      -0.924  -6.242  -1.529  1.00  0.00           C
ATOM    552  SG  CYS A  34      -2.449  -5.894  -0.617  1.00  0.00           S
ATOM      0  H   CYS A  34      -2.064  -4.524  -2.864  1.00  0.00           H   new
ATOM      0  HA  CYS A  34       0.275  -4.491  -1.001  1.00  0.00           H   new
ATOM      0  HB2 CYS A  34      -1.152  -6.792  -2.442  1.00  0.00           H   new
ATOM      0  HB3 CYS A  34      -0.268  -6.875  -0.932  1.00  0.00           H   new
ATOM      0  HG  CYS A  34      -2.468  -6.593   0.479  1.00  0.00           H   new
ATOM    557  N   ASP A  35       2.040  -5.550  -2.515  1.00  0.00           N
ATOM    558  CA  ASP A  35       3.130  -5.798  -3.503  1.00  0.00           C
ATOM    559  C   ASP A  35       2.649  -6.769  -4.585  1.00  0.00           C
ATOM    560  O   ASP A  35       2.259  -7.882  -4.302  1.00  0.00           O
ATOM    561  CB  ASP A  35       4.267  -6.421  -2.692  1.00  0.00           C
ATOM    562  CG  ASP A  35       5.113  -5.313  -2.062  1.00  0.00           C
ATOM    563  OD1 ASP A  35       5.661  -4.517  -2.806  1.00  0.00           O
ATOM    564  OD2 ASP A  35       5.198  -5.280  -0.846  1.00  0.00           O
ATOM      0  H   ASP A  35       2.294  -5.704  -1.539  1.00  0.00           H   new
ATOM      0  HA  ASP A  35       3.444  -4.885  -4.010  1.00  0.00           H   new
ATOM      0  HB2 ASP A  35       3.861  -7.069  -1.915  1.00  0.00           H   new
ATOM      0  HB3 ASP A  35       4.887  -7.045  -3.336  1.00  0.00           H   new
ATOM    569  N   GLU A  36       2.672  -6.357  -5.822  1.00  0.00           N
ATOM    570  CA  GLU A  36       2.211  -7.261  -6.917  1.00  0.00           C
ATOM    571  C   GLU A  36       2.794  -8.664  -6.729  1.00  0.00           C
ATOM    572  O   GLU A  36       2.124  -9.658  -6.931  1.00  0.00           O
ATOM    573  CB  GLU A  36       2.740  -6.627  -8.203  1.00  0.00           C
ATOM    574  CG  GLU A  36       2.202  -7.399  -9.410  1.00  0.00           C
ATOM    575  CD  GLU A  36       3.162  -8.537  -9.758  1.00  0.00           C
ATOM    576  OE1 GLU A  36       4.329  -8.426  -9.419  1.00  0.00           O
ATOM    577  OE2 GLU A  36       2.714  -9.500 -10.359  1.00  0.00           O
ATOM      0  H   GLU A  36       2.989  -5.436  -6.123  1.00  0.00           H   new
ATOM      0  HA  GLU A  36       1.127  -7.370  -6.932  1.00  0.00           H   new
ATOM      0  HB2 GLU A  36       2.433  -5.583  -8.259  1.00  0.00           H   new
ATOM      0  HB3 GLU A  36       3.830  -6.640  -8.206  1.00  0.00           H   new
ATOM      0  HG2 GLU A  36       1.213  -7.799  -9.188  1.00  0.00           H   new
ATOM      0  HG3 GLU A  36       2.091  -6.729 -10.263  1.00  0.00           H   new
ATOM    584  N   GLY A  37       4.038  -8.755  -6.345  1.00  0.00           N
ATOM    585  CA  GLY A  37       4.661 -10.094  -6.147  1.00  0.00           C
ATOM    586  C   GLY A  37       4.455 -10.548  -4.701  1.00  0.00           C
ATOM    587  O   GLY A  37       5.367 -11.023  -4.054  1.00  0.00           O
ATOM      0  H   GLY A  37       4.650  -7.960  -6.160  1.00  0.00           H   new
ATOM      0  HA2 GLY A  37       4.218 -10.817  -6.832  1.00  0.00           H   new
ATOM      0  HA3 GLY A  37       5.726 -10.048  -6.376  1.00  0.00           H   new
ATOM    591  N   TYR A  38       3.263 -10.408  -4.188  1.00  0.00           N
ATOM    592  CA  TYR A  38       3.004 -10.836  -2.783  1.00  0.00           C
ATOM    593  C   TYR A  38       1.882 -11.883  -2.744  1.00  0.00           C
ATOM    594  O   TYR A  38       1.214 -12.127  -3.730  1.00  0.00           O
ATOM    595  CB  TYR A  38       2.609  -9.546  -2.042  1.00  0.00           C
ATOM    596  CG  TYR A  38       1.102  -9.379  -2.010  1.00  0.00           C
ATOM    597  CD1 TYR A  38       0.371  -9.340  -3.205  1.00  0.00           C
ATOM    598  CD2 TYR A  38       0.441  -9.263  -0.782  1.00  0.00           C
ATOM    599  CE1 TYR A  38      -1.019  -9.186  -3.170  1.00  0.00           C
ATOM    600  CE2 TYR A  38      -0.950  -9.109  -0.748  1.00  0.00           C
ATOM    601  CZ  TYR A  38      -1.680  -9.070  -1.942  1.00  0.00           C
ATOM    602  OH  TYR A  38      -3.051  -8.918  -1.907  1.00  0.00           O
ATOM      0  H   TYR A  38       2.459 -10.017  -4.679  1.00  0.00           H   new
ATOM      0  HA  TYR A  38       3.871 -11.308  -2.320  1.00  0.00           H   new
ATOM      0  HB2 TYR A  38       2.997  -9.573  -1.024  1.00  0.00           H   new
ATOM      0  HB3 TYR A  38       3.064  -8.686  -2.534  1.00  0.00           H   new
ATOM      0  HD1 TYR A  38       0.881  -9.429  -4.153  1.00  0.00           H   new
ATOM      0  HD2 TYR A  38       1.004  -9.292   0.139  1.00  0.00           H   new
ATOM      0  HE1 TYR A  38      -1.582  -9.157  -4.091  1.00  0.00           H   new
ATOM      0  HE2 TYR A  38      -1.460  -9.020   0.200  1.00  0.00           H   new
ATOM      0  HH  TYR A  38      -3.273  -8.037  -1.539  1.00  0.00           H   new
ATOM    612  N   ILE A  39       1.672 -12.499  -1.614  1.00  0.00           N
ATOM    613  CA  ILE A  39       0.596 -13.526  -1.511  1.00  0.00           C
ATOM    614  C   ILE A  39       0.025 -13.551  -0.091  1.00  0.00           C
ATOM    615  O   ILE A  39       0.641 -13.082   0.844  1.00  0.00           O
ATOM    616  CB  ILE A  39       1.284 -14.853  -1.836  1.00  0.00           C
ATOM    617  CG1 ILE A  39       1.563 -14.926  -3.340  1.00  0.00           C
ATOM    618  CG2 ILE A  39       0.375 -16.013  -1.430  1.00  0.00           C
ATOM    619  CD1 ILE A  39       2.418 -16.157  -3.642  1.00  0.00           C
ATOM      0  H   ILE A  39       2.199 -12.336  -0.756  1.00  0.00           H   new
ATOM      0  HA  ILE A  39      -0.236 -13.323  -2.185  1.00  0.00           H   new
ATOM      0  HB  ILE A  39       2.223 -14.919  -1.287  1.00  0.00           H   new
ATOM      0 HG12 ILE A  39       0.625 -14.978  -3.892  1.00  0.00           H   new
ATOM      0 HG13 ILE A  39       2.078 -14.023  -3.669  1.00  0.00           H   new
ATOM      0 HG21 ILE A  39       0.866 -16.958  -1.662  1.00  0.00           H   new
ATOM      0 HG22 ILE A  39       0.175 -15.961  -0.360  1.00  0.00           H   new
ATOM      0 HG23 ILE A  39      -0.565 -15.948  -1.978  1.00  0.00           H   new
ATOM      0 HD11 ILE A  39       2.616 -16.209  -4.713  1.00  0.00           H   new
ATOM      0 HD12 ILE A  39       3.362 -16.086  -3.101  1.00  0.00           H   new
ATOM      0 HD13 ILE A  39       1.886 -17.055  -3.328  1.00  0.00           H   new
ATOM    631  N   GLY A  40      -1.150 -14.095   0.077  1.00  0.00           N
ATOM    632  CA  GLY A  40      -1.758 -14.148   1.435  1.00  0.00           C
ATOM    633  C   GLY A  40      -2.936 -13.175   1.507  1.00  0.00           C
ATOM    634  O   GLY A  40      -3.209 -12.448   0.572  1.00  0.00           O
ATOM      0  H   GLY A  40      -1.714 -14.504  -0.668  1.00  0.00           H   new
ATOM      0  HA2 GLY A  40      -2.096 -15.161   1.654  1.00  0.00           H   new
ATOM      0  HA3 GLY A  40      -1.014 -13.890   2.188  1.00  0.00           H   new
ATOM    638  N   ALA A  41      -3.638 -13.155   2.607  1.00  0.00           N
ATOM    639  CA  ALA A  41      -4.799 -12.228   2.733  1.00  0.00           C
ATOM    640  C   ALA A  41      -4.342 -10.877   3.287  1.00  0.00           C
ATOM    641  O   ALA A  41      -4.729  -9.833   2.801  1.00  0.00           O
ATOM    642  CB  ALA A  41      -5.749 -12.914   3.715  1.00  0.00           C
ATOM      0  H   ALA A  41      -3.458 -13.740   3.423  1.00  0.00           H   new
ATOM      0  HA  ALA A  41      -5.275 -12.032   1.772  1.00  0.00           H   new
ATOM      0  HB1 ALA A  41      -6.632 -12.292   3.862  1.00  0.00           H   new
ATOM      0  HB2 ALA A  41      -6.049 -13.882   3.314  1.00  0.00           H   new
ATOM      0  HB3 ALA A  41      -5.244 -13.057   4.670  1.00  0.00           H   new
ATOM    648  N   ARG A  42      -3.522 -10.886   4.303  1.00  0.00           N
ATOM    649  CA  ARG A  42      -3.044  -9.600   4.887  1.00  0.00           C
ATOM    650  C   ARG A  42      -1.634  -9.279   4.388  1.00  0.00           C
ATOM    651  O   ARG A  42      -0.880  -8.580   5.037  1.00  0.00           O
ATOM    652  CB  ARG A  42      -3.037  -9.830   6.398  1.00  0.00           C
ATOM    653  CG  ARG A  42      -3.877  -8.750   7.083  1.00  0.00           C
ATOM    654  CD  ARG A  42      -3.895  -8.998   8.593  1.00  0.00           C
ATOM    655  NE  ARG A  42      -4.985  -9.989   8.806  1.00  0.00           N
ATOM    656  CZ  ARG A  42      -6.231  -9.606   8.776  1.00  0.00           C
ATOM    657  NH1 ARG A  42      -6.754  -9.005   9.811  1.00  0.00           N
ATOM    658  NH2 ARG A  42      -6.955  -9.822   7.712  1.00  0.00           N
ATOM      0  H   ARG A  42      -3.163 -11.728   4.754  1.00  0.00           H   new
ATOM      0  HA  ARG A  42      -3.678  -8.760   4.604  1.00  0.00           H   new
ATOM      0  HB2 ARG A  42      -3.437 -10.817   6.628  1.00  0.00           H   new
ATOM      0  HB3 ARG A  42      -2.015  -9.805   6.776  1.00  0.00           H   new
ATOM      0  HG2 ARG A  42      -3.464  -7.764   6.871  1.00  0.00           H   new
ATOM      0  HG3 ARG A  42      -4.894  -8.761   6.690  1.00  0.00           H   new
ATOM      0  HD2 ARG A  42      -2.937  -9.384   8.941  1.00  0.00           H   new
ATOM      0  HD3 ARG A  42      -4.086  -8.076   9.142  1.00  0.00           H   new
ATOM      0  HE  ARG A  42      -4.757 -10.969   8.976  1.00  0.00           H   new
ATOM      0 HH11 ARG A  42      -6.188  -8.835  10.642  1.00  0.00           H   new
ATOM      0 HH12 ARG A  42      -7.729  -8.705   9.788  1.00  0.00           H   new
ATOM      0 HH21 ARG A  42      -6.546 -10.291   6.903  1.00  0.00           H   new
ATOM      0 HH22 ARG A  42      -7.930  -9.522   7.689  1.00  0.00           H   new
ATOM    672  N   CYS A  43      -1.271  -9.781   3.239  1.00  0.00           N
ATOM    673  CA  CYS A  43       0.091  -9.502   2.697  1.00  0.00           C
ATOM    674  C   CYS A  43       1.158 -10.098   3.621  1.00  0.00           C
ATOM    675  O   CYS A  43       2.090  -9.428   4.020  1.00  0.00           O
ATOM    676  CB  CYS A  43       0.208  -7.974   2.661  1.00  0.00           C
ATOM    677  SG  CYS A  43      -1.309  -7.257   1.981  1.00  0.00           S
ATOM      0  H   CYS A  43      -1.858 -10.373   2.651  1.00  0.00           H   new
ATOM      0  HA  CYS A  43       0.237  -9.942   1.711  1.00  0.00           H   new
ATOM      0  HB2 CYS A  43       0.384  -7.590   3.666  1.00  0.00           H   new
ATOM      0  HB3 CYS A  43       1.064  -7.680   2.053  1.00  0.00           H   new
ATOM      0  HG  CYS A  43      -1.033  -6.620   0.882  1.00  0.00           H   new
ATOM    682  N   GLU A  44       1.028 -11.350   3.965  1.00  0.00           N
ATOM    683  CA  GLU A  44       2.035 -11.982   4.868  1.00  0.00           C
ATOM    684  C   GLU A  44       2.979 -12.889   4.072  1.00  0.00           C
ATOM    685  O   GLU A  44       4.148 -13.003   4.382  1.00  0.00           O
ATOM    686  CB  GLU A  44       1.212 -12.806   5.859  1.00  0.00           C
ATOM    687  CG  GLU A  44       1.795 -12.646   7.264  1.00  0.00           C
ATOM    688  CD  GLU A  44       0.952 -11.644   8.055  1.00  0.00           C
ATOM    689  OE1 GLU A  44      -0.175 -11.404   7.657  1.00  0.00           O
ATOM    690  OE2 GLU A  44       1.450 -11.132   9.044  1.00  0.00           O
ATOM      0  H   GLU A  44       0.271 -11.962   3.662  1.00  0.00           H   new
ATOM      0  HA  GLU A  44       2.660 -11.241   5.367  1.00  0.00           H   new
ATOM      0  HB2 GLU A  44       0.173 -12.478   5.846  1.00  0.00           H   new
ATOM      0  HB3 GLU A  44       1.219 -13.857   5.568  1.00  0.00           H   new
ATOM      0  HG2 GLU A  44       1.810 -13.609   7.775  1.00  0.00           H   new
ATOM      0  HG3 GLU A  44       2.827 -12.301   7.204  1.00  0.00           H   new
ATOM    697  N   ARG A  45       2.484 -13.538   3.055  1.00  0.00           N
ATOM    698  CA  ARG A  45       3.360 -14.439   2.250  1.00  0.00           C
ATOM    699  C   ARG A  45       4.000 -13.670   1.092  1.00  0.00           C
ATOM    700  O   ARG A  45       3.578 -12.585   0.744  1.00  0.00           O
ATOM    701  CB  ARG A  45       2.426 -15.529   1.722  1.00  0.00           C
ATOM    702  CG  ARG A  45       1.760 -16.244   2.899  1.00  0.00           C
ATOM    703  CD  ARG A  45       2.244 -17.695   2.958  1.00  0.00           C
ATOM    704  NE  ARG A  45       2.990 -17.799   4.242  1.00  0.00           N
ATOM    705  CZ  ARG A  45       3.057 -18.943   4.868  1.00  0.00           C
ATOM    706  NH1 ARG A  45       2.979 -20.059   4.197  1.00  0.00           N
ATOM    707  NH2 ARG A  45       3.204 -18.970   6.164  1.00  0.00           N
ATOM      0  H   ARG A  45       1.513 -13.485   2.746  1.00  0.00           H   new
ATOM      0  HA  ARG A  45       4.178 -14.852   2.840  1.00  0.00           H   new
ATOM      0  HB2 ARG A  45       1.668 -15.090   1.073  1.00  0.00           H   new
ATOM      0  HB3 ARG A  45       2.987 -16.243   1.119  1.00  0.00           H   new
ATOM      0  HG2 ARG A  45       1.999 -15.732   3.831  1.00  0.00           H   new
ATOM      0  HG3 ARG A  45       0.676 -16.216   2.789  1.00  0.00           H   new
ATOM      0  HD2 ARG A  45       1.407 -18.392   2.930  1.00  0.00           H   new
ATOM      0  HD3 ARG A  45       2.885 -17.932   2.109  1.00  0.00           H   new
ATOM      0  HE  ARG A  45       3.449 -16.976   4.633  1.00  0.00           H   new
ATOM      0 HH11 ARG A  45       2.866 -20.038   3.184  1.00  0.00           H   new
ATOM      0 HH12 ARG A  45       3.031 -20.953   4.686  1.00  0.00           H   new
ATOM      0 HH21 ARG A  45       3.267 -18.097   6.688  1.00  0.00           H   new
ATOM      0 HH22 ARG A  45       3.256 -19.864   6.653  1.00  0.00           H   new
ATOM    721  N   VAL A  46       5.018 -14.226   0.492  1.00  0.00           N
ATOM    722  CA  VAL A  46       5.688 -13.530  -0.645  1.00  0.00           C
ATOM    723  C   VAL A  46       5.550 -14.361  -1.923  1.00  0.00           C
ATOM    724  O   VAL A  46       5.267 -15.542  -1.879  1.00  0.00           O
ATOM    725  CB  VAL A  46       7.155 -13.418  -0.233  1.00  0.00           C
ATOM    726  CG1 VAL A  46       7.790 -14.810  -0.226  1.00  0.00           C
ATOM    727  CG2 VAL A  46       7.898 -12.525  -1.230  1.00  0.00           C
ATOM      0  H   VAL A  46       5.415 -15.132   0.740  1.00  0.00           H   new
ATOM      0  HA  VAL A  46       5.249 -12.554  -0.850  1.00  0.00           H   new
ATOM      0  HB  VAL A  46       7.220 -12.983   0.764  1.00  0.00           H   new
ATOM      0 HG11 VAL A  46       8.837 -14.731   0.068  1.00  0.00           H   new
ATOM      0 HG12 VAL A  46       7.261 -15.448   0.483  1.00  0.00           H   new
ATOM      0 HG13 VAL A  46       7.725 -15.245  -1.224  1.00  0.00           H   new
ATOM      0 HG21 VAL A  46       8.945 -12.445  -0.937  1.00  0.00           H   new
ATOM      0 HG22 VAL A  46       7.833 -12.960  -2.227  1.00  0.00           H   new
ATOM      0 HG23 VAL A  46       7.446 -11.533  -1.237  1.00  0.00           H   new