USER  MOD reduce.3.24.130724 H: found=0, std=0, add=221, rem=0, adj=6
USER  MOD reduce.3.24.130724 removed 221 hydrogens (0 hets)
USER  MOD -----------------------------------------------------------------
USER  MOD scores for adjustable sidechains, with "set" totals for H,N and Q
USER  MOD "o" means original, "f" means flipped, "180deg" is methyl default
USER  MOD "!" flags a clash with an overlap of 0.40A or greater
USER  MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip
USER  MOD Single : A   4 LYS NZ  :NH3+    180:sc=       0   (180deg=0)
USER  MOD Single : A   6 MET CE  :methyl  137:sc=  -0.854   (180deg=-4.51!)
USER  MOD Single : A   8 LYS NZ  :NH3+    180:sc=       0   (180deg=0)
USER  MOD Single : A  10 LYS NZ  :NH3+    180:sc=       0   (180deg=0)
USER  MOD Single : A  11 ASN     :      amide:sc=  -0.314  K(o=-0.31,f=-2.1!)
USER  MOD Single : A  12 SER OG  :   rot   72:sc=   0.954
USER  MOD Single : A  13 ASN     :      amide:sc=  -0.126  K(o=-0.13,f=-1.7!)
USER  MOD Single : A  16 CYS SG  :   rot  180:sc=       0
USER  MOD Single : A  17 LYS NZ  :NH3+    180:sc=       0   (180deg=0)
USER  MOD Single : A  22 SER OG  :   rot  140:sc=  -0.823!
USER  MOD Single : A  23 SER OG  :   rot  180:sc=       0
USER  MOD Single : A  26 LYS NZ  :NH3+   -142:sc=       0   (180deg=-0.0911)
USER  MOD -----------------------------------------------------------------
ATOM     35  N   LYS A   4      -5.073   1.982   4.172  1.00  0.00           N
ATOM     36  CA  LYS A   4      -3.846   1.898   5.017  1.00  0.00           C
ATOM     37  C   LYS A   4      -3.148   0.555   4.795  1.00  0.00           C
ATOM     38  O   LYS A   4      -3.737  -0.389   4.304  1.00  0.00           O
ATOM     39  CB  LYS A   4      -4.344   2.019   6.457  1.00  0.00           C
ATOM     40  CG  LYS A   4      -3.524   3.081   7.194  1.00  0.00           C
ATOM     41  CD  LYS A   4      -2.787   2.435   8.369  1.00  0.00           C
ATOM     42  CE  LYS A   4      -3.265   3.064   9.679  1.00  0.00           C
ATOM     43  NZ  LYS A   4      -2.375   4.239   9.887  1.00  0.00           N
ATOM      0  HA  LYS A   4      -3.121   2.676   4.775  1.00  0.00           H   new
ATOM      0  HB2 LYS A   4      -5.400   2.289   6.466  1.00  0.00           H   new
ATOM      0  HB3 LYS A   4      -4.256   1.059   6.965  1.00  0.00           H   new
ATOM      0  HG2 LYS A   4      -2.809   3.541   6.512  1.00  0.00           H   new
ATOM      0  HG3 LYS A   4      -4.178   3.875   7.554  1.00  0.00           H   new
ATOM      0  HD2 LYS A   4      -2.971   1.361   8.381  1.00  0.00           H   new
ATOM      0  HD3 LYS A   4      -1.712   2.573   8.258  1.00  0.00           H   new
ATOM      0  HE2 LYS A   4      -4.310   3.367   9.614  1.00  0.00           H   new
ATOM      0  HE3 LYS A   4      -3.188   2.359  10.507  1.00  0.00           H   new
ATOM      0  HZ1 LYS A   4      -2.641   4.724  10.768  1.00  0.00           H   new
ATOM      0  HZ2 LYS A   4      -1.387   3.919   9.952  1.00  0.00           H   new
ATOM      0  HZ3 LYS A   4      -2.474   4.896   9.087  1.00  0.00           H   new
ATOM     57  N   PHE A   5      -1.896   0.459   5.147  1.00  0.00           N
ATOM     58  CA  PHE A   5      -1.161  -0.820   4.949  1.00  0.00           C
ATOM     59  C   PHE A   5      -2.028  -2.008   5.359  1.00  0.00           C
ATOM     60  O   PHE A   5      -2.930  -1.887   6.163  1.00  0.00           O
ATOM     61  CB  PHE A   5       0.061  -0.729   5.857  1.00  0.00           C
ATOM     62  CG  PHE A   5       0.825  -2.034   5.817  1.00  0.00           C
ATOM     63  CD1 PHE A   5       1.824  -2.230   4.857  1.00  0.00           C
ATOM     64  CD2 PHE A   5       0.546  -3.042   6.750  1.00  0.00           C
ATOM     65  CE1 PHE A   5       2.543  -3.429   4.829  1.00  0.00           C
ATOM     66  CE2 PHE A   5       1.270  -4.240   6.723  1.00  0.00           C
ATOM     67  CZ  PHE A   5       2.267  -4.432   5.762  1.00  0.00           C
ATOM      0  H   PHE A   5      -1.350   1.213   5.564  1.00  0.00           H   new
ATOM      0  HA  PHE A   5      -0.888  -0.968   3.904  1.00  0.00           H   new
ATOM      0  HB2 PHE A   5       0.704   0.090   5.536  1.00  0.00           H   new
ATOM      0  HB3 PHE A   5      -0.249  -0.509   6.879  1.00  0.00           H   new
ATOM      0  HD1 PHE A   5       2.040  -1.455   4.137  1.00  0.00           H   new
ATOM      0  HD2 PHE A   5      -0.227  -2.895   7.489  1.00  0.00           H   new
ATOM      0  HE1 PHE A   5       3.312  -3.580   4.086  1.00  0.00           H   new
ATOM      0  HE2 PHE A   5       1.058  -5.015   7.444  1.00  0.00           H   new
ATOM      0  HZ  PHE A   5       2.825  -5.357   5.741  1.00  0.00           H   new
ATOM     77  N   MET A   6      -1.747  -3.159   4.817  1.00  0.00           N
ATOM     78  CA  MET A   6      -2.532  -4.377   5.166  1.00  0.00           C
ATOM     79  C   MET A   6      -3.925  -4.328   4.534  1.00  0.00           C
ATOM     80  O   MET A   6      -4.712  -5.244   4.677  1.00  0.00           O
ATOM     81  CB  MET A   6      -2.628  -4.380   6.694  1.00  0.00           C
ATOM     82  CG  MET A   6      -2.752  -5.820   7.196  1.00  0.00           C
ATOM     83  SD  MET A   6      -2.407  -5.871   8.973  1.00  0.00           S
ATOM     84  CE  MET A   6      -0.694  -6.440   8.852  1.00  0.00           C
ATOM      0  H   MET A   6      -0.999  -3.310   4.140  1.00  0.00           H   new
ATOM      0  HA  MET A   6      -2.055  -5.283   4.791  1.00  0.00           H   new
ATOM      0  HB2 MET A   6      -1.745  -3.908   7.125  1.00  0.00           H   new
ATOM      0  HB3 MET A   6      -3.490  -3.796   7.016  1.00  0.00           H   new
ATOM      0  HG2 MET A   6      -3.754  -6.200   6.998  1.00  0.00           H   new
ATOM      0  HG3 MET A   6      -2.055  -6.465   6.661  1.00  0.00           H   new
ATOM      0  HE1 MET A   6      -0.075  -5.881   9.554  1.00  0.00           H   new
ATOM      0  HE2 MET A   6      -0.646  -7.502   9.092  1.00  0.00           H   new
ATOM      0  HE3 MET A   6      -0.328  -6.280   7.838  1.00  0.00           H   new
ATOM     94  N   TRP A   7      -4.239  -3.275   3.836  1.00  0.00           N
ATOM     95  CA  TRP A   7      -5.583  -3.184   3.199  1.00  0.00           C
ATOM     96  C   TRP A   7      -5.633  -4.035   1.927  1.00  0.00           C
ATOM     97  O   TRP A   7      -4.800  -3.906   1.050  1.00  0.00           O
ATOM     98  CB  TRP A   7      -5.762  -1.709   2.844  1.00  0.00           C
ATOM     99  CG  TRP A   7      -6.437  -0.998   3.967  1.00  0.00           C
ATOM    100  CD1 TRP A   7      -6.137  -1.136   5.278  1.00  0.00           C
ATOM    101  CD2 TRP A   7      -7.519  -0.036   3.895  1.00  0.00           C
ATOM    102  NE1 TRP A   7      -6.978  -0.315   6.014  1.00  0.00           N
ATOM    103  CE2 TRP A   7      -7.845   0.380   5.202  1.00  0.00           C
ATOM    104  CE3 TRP A   7      -8.241   0.507   2.825  1.00  0.00           C
ATOM    105  CZ2 TRP A   7      -8.853   1.302   5.446  1.00  0.00           C
ATOM    106  CZ3 TRP A   7      -9.263   1.442   3.060  1.00  0.00           C
ATOM    107  CH2 TRP A   7      -9.569   1.840   4.370  1.00  0.00           C
ATOM      0  H   TRP A   7      -3.626  -2.475   3.678  1.00  0.00           H   new
ATOM      0  HA  TRP A   7      -6.368  -3.548   3.862  1.00  0.00           H   new
ATOM      0  HB2 TRP A   7      -4.792  -1.253   2.644  1.00  0.00           H   new
ATOM      0  HB3 TRP A   7      -6.353  -1.614   1.933  1.00  0.00           H   new
ATOM      0  HD1 TRP A   7      -5.370  -1.779   5.684  1.00  0.00           H   new
ATOM      0  HE1 TRP A   7      -6.957  -0.236   7.031  1.00  0.00           H   new
ATOM      0  HE3 TRP A   7      -8.011   0.205   1.814  1.00  0.00           H   new
ATOM      0  HZ2 TRP A   7      -9.083   1.602   6.458  1.00  0.00           H   new
ATOM      0  HZ3 TRP A   7      -9.815   1.856   2.229  1.00  0.00           H   new
ATOM      0  HH2 TRP A   7     -10.355   2.559   4.548  1.00  0.00           H   new
ATOM    118  N   LYS A   8      -6.614  -4.893   1.813  1.00  0.00           N
ATOM    119  CA  LYS A   8      -6.723  -5.731   0.586  1.00  0.00           C
ATOM    120  C   LYS A   8      -6.581  -4.834  -0.640  1.00  0.00           C
ATOM    121  O   LYS A   8      -7.132  -3.751  -0.692  1.00  0.00           O
ATOM    122  CB  LYS A   8      -8.121  -6.352   0.646  1.00  0.00           C
ATOM    123  CG  LYS A   8      -8.121  -7.518   1.638  1.00  0.00           C
ATOM    124  CD  LYS A   8      -9.454  -7.553   2.388  1.00  0.00           C
ATOM    125  CE  LYS A   8      -9.200  -7.872   3.864  1.00  0.00           C
ATOM    126  NZ  LYS A   8     -10.523  -7.716   4.532  1.00  0.00           N
ATOM      0  H   LYS A   8      -7.339  -5.048   2.513  1.00  0.00           H   new
ATOM      0  HA  LYS A   8      -5.952  -6.499   0.525  1.00  0.00           H   new
ATOM      0  HB2 LYS A   8      -8.851  -5.602   0.951  1.00  0.00           H   new
ATOM      0  HB3 LYS A   8      -8.418  -6.702  -0.343  1.00  0.00           H   new
ATOM      0  HG2 LYS A   8      -7.965  -8.458   1.110  1.00  0.00           H   new
ATOM      0  HG3 LYS A   8      -7.298  -7.408   2.344  1.00  0.00           H   new
ATOM      0  HD2 LYS A   8      -9.962  -6.593   2.294  1.00  0.00           H   new
ATOM      0  HD3 LYS A   8     -10.111  -8.305   1.950  1.00  0.00           H   new
ATOM      0  HE2 LYS A   8      -8.814  -8.884   3.987  1.00  0.00           H   new
ATOM      0  HE3 LYS A   8      -8.461  -7.194   4.292  1.00  0.00           H   new
ATOM      0  HZ1 LYS A   8     -10.425  -7.919   5.547  1.00  0.00           H   new
ATOM      0  HZ2 LYS A   8     -10.863  -6.741   4.405  1.00  0.00           H   new
ATOM      0  HZ3 LYS A   8     -11.205  -8.378   4.110  1.00  0.00           H   new
ATOM    140  N   CYS A   9      -5.834  -5.253  -1.618  1.00  0.00           N
ATOM    141  CA  CYS A   9      -5.651  -4.391  -2.816  1.00  0.00           C
ATOM    142  C   CYS A   9      -5.919  -5.162  -4.105  1.00  0.00           C
ATOM    143  O   CYS A   9      -5.759  -6.364  -4.175  1.00  0.00           O
ATOM    144  CB  CYS A   9      -4.188  -3.966  -2.755  1.00  0.00           C
ATOM    145  SG  CYS A   9      -3.147  -5.438  -2.595  1.00  0.00           S
ATOM      0  H   CYS A   9      -5.345  -6.148  -1.642  1.00  0.00           H   new
ATOM      0  HA  CYS A   9      -6.342  -3.548  -2.817  1.00  0.00           H   new
ATOM      0  HB2 CYS A   9      -3.920  -3.412  -3.655  1.00  0.00           H   new
ATOM      0  HB3 CYS A   9      -4.026  -3.298  -1.909  1.00  0.00           H   new
ATOM    150  N   LYS A  10      -6.303  -4.462  -5.134  1.00  0.00           N
ATOM    151  CA  LYS A  10      -6.561  -5.121  -6.441  1.00  0.00           C
ATOM    152  C   LYS A  10      -5.341  -4.927  -7.336  1.00  0.00           C
ATOM    153  O   LYS A  10      -5.053  -5.720  -8.210  1.00  0.00           O
ATOM    154  CB  LYS A  10      -7.769  -4.388  -7.017  1.00  0.00           C
ATOM    155  CG  LYS A  10      -7.436  -2.903  -7.183  1.00  0.00           C
ATOM    156  CD  LYS A  10      -8.493  -2.236  -8.066  1.00  0.00           C
ATOM    157  CE  LYS A  10      -9.890  -2.617  -7.569  1.00  0.00           C
ATOM    158  NZ  LYS A  10     -10.826  -1.959  -8.522  1.00  0.00           N
ATOM      0  H   LYS A  10      -6.450  -3.453  -5.124  1.00  0.00           H   new
ATOM      0  HA  LYS A  10      -6.746  -6.192  -6.355  1.00  0.00           H   new
ATOM      0  HB2 LYS A  10      -8.044  -4.819  -7.979  1.00  0.00           H   new
ATOM      0  HB3 LYS A  10      -8.628  -4.507  -6.357  1.00  0.00           H   new
ATOM      0  HG2 LYS A  10      -7.402  -2.416  -6.208  1.00  0.00           H   new
ATOM      0  HG3 LYS A  10      -6.449  -2.789  -7.631  1.00  0.00           H   new
ATOM      0  HD2 LYS A  10      -8.370  -1.153  -8.043  1.00  0.00           H   new
ATOM      0  HD3 LYS A  10      -8.366  -2.549  -9.102  1.00  0.00           H   new
ATOM      0  HE2 LYS A  10     -10.027  -3.698  -7.564  1.00  0.00           H   new
ATOM      0  HE3 LYS A  10     -10.055  -2.270  -6.549  1.00  0.00           H   new
ATOM      0  HZ1 LYS A  10     -11.807  -2.173  -8.249  1.00  0.00           H   new
ATOM      0  HZ2 LYS A  10     -10.677  -0.930  -8.500  1.00  0.00           H   new
ATOM      0  HZ3 LYS A  10     -10.649  -2.314  -9.483  1.00  0.00           H   new
ATOM    172  N   ASN A  11      -4.620  -3.865  -7.109  1.00  0.00           N
ATOM    173  CA  ASN A  11      -3.405  -3.585  -7.924  1.00  0.00           C
ATOM    174  C   ASN A  11      -2.666  -2.367  -7.367  1.00  0.00           C
ATOM    175  O   ASN A  11      -1.454  -2.287  -7.422  1.00  0.00           O
ATOM    176  CB  ASN A  11      -3.926  -3.302  -9.335  1.00  0.00           C
ATOM    177  CG  ASN A  11      -3.095  -4.085 -10.353  1.00  0.00           C
ATOM    178  OD1 ASN A  11      -2.568  -5.136 -10.045  1.00  0.00           O
ATOM    179  ND2 ASN A  11      -2.954  -3.614 -11.561  1.00  0.00           N
ATOM      0  H   ASN A  11      -4.822  -3.173  -6.387  1.00  0.00           H   new
ATOM      0  HA  ASN A  11      -2.700  -4.416  -7.913  1.00  0.00           H   new
ATOM      0  HB2 ASN A  11      -4.975  -3.587  -9.410  1.00  0.00           H   new
ATOM      0  HB3 ASN A  11      -3.869  -2.234  -9.548  1.00  0.00           H   new
ATOM      0 HD21 ASN A  11      -2.401  -4.128 -12.247  1.00  0.00           H   new
ATOM      0 HD22 ASN A  11      -3.396  -2.732 -11.819  1.00  0.00           H   new
ATOM    186  N   SER A  12      -3.385  -1.418  -6.826  1.00  0.00           N
ATOM    187  CA  SER A  12      -2.731  -0.202  -6.260  1.00  0.00           C
ATOM    188  C   SER A  12      -3.765   0.899  -5.990  1.00  0.00           C
ATOM    189  O   SER A  12      -3.533   1.801  -5.210  1.00  0.00           O
ATOM    190  CB  SER A  12      -1.744   0.255  -7.332  1.00  0.00           C
ATOM    191  OG  SER A  12      -0.418  -0.018  -6.898  1.00  0.00           O
ATOM      0  H   SER A  12      -4.402  -1.434  -6.752  1.00  0.00           H   new
ATOM      0  HA  SER A  12      -2.242  -0.414  -5.309  1.00  0.00           H   new
ATOM      0  HB2 SER A  12      -1.945  -0.261  -8.271  1.00  0.00           H   new
ATOM      0  HB3 SER A  12      -1.864   1.322  -7.522  1.00  0.00           H   new
ATOM      0  HG  SER A  12      -0.256  -0.984  -6.930  1.00  0.00           H   new
ATOM    197  N   ASN A  13      -4.898   0.842  -6.636  1.00  0.00           N
ATOM    198  CA  ASN A  13      -5.937   1.894  -6.425  1.00  0.00           C
ATOM    199  C   ASN A  13      -6.383   1.931  -4.961  1.00  0.00           C
ATOM    200  O   ASN A  13      -7.053   2.849  -4.532  1.00  0.00           O
ATOM    201  CB  ASN A  13      -7.101   1.484  -7.327  1.00  0.00           C
ATOM    202  CG  ASN A  13      -6.951   2.159  -8.692  1.00  0.00           C
ATOM    203  OD1 ASN A  13      -6.453   3.264  -8.785  1.00  0.00           O
ATOM    204  ND2 ASN A  13      -7.364   1.538  -9.762  1.00  0.00           N
ATOM      0  H   ASN A  13      -5.151   0.112  -7.302  1.00  0.00           H   new
ATOM      0  HA  ASN A  13      -5.562   2.890  -6.661  1.00  0.00           H   new
ATOM      0  HB2 ASN A  13      -7.119   0.401  -7.445  1.00  0.00           H   new
ATOM      0  HB3 ASN A  13      -8.048   1.771  -6.870  1.00  0.00           H   new
ATOM      0 HD21 ASN A  13      -7.269   1.980 -10.677  1.00  0.00           H   new
ATOM      0 HD22 ASN A  13      -7.782   0.611  -9.684  1.00  0.00           H   new
ATOM    211  N   ASP A  14      -6.025   0.941  -4.193  1.00  0.00           N
ATOM    212  CA  ASP A  14      -6.442   0.931  -2.759  1.00  0.00           C
ATOM    213  C   ASP A  14      -5.265   1.301  -1.850  1.00  0.00           C
ATOM    214  O   ASP A  14      -5.439   1.580  -0.680  1.00  0.00           O
ATOM    215  CB  ASP A  14      -6.896  -0.504  -2.490  1.00  0.00           C
ATOM    216  CG  ASP A  14      -8.422  -0.580  -2.564  1.00  0.00           C
ATOM    217  OD1 ASP A  14      -8.931  -0.826  -3.644  1.00  0.00           O
ATOM    218  OD2 ASP A  14      -9.054  -0.392  -1.537  1.00  0.00           O
ATOM      0  H   ASP A  14      -5.465   0.142  -4.491  1.00  0.00           H   new
ATOM      0  HA  ASP A  14      -7.230   1.656  -2.558  1.00  0.00           H   new
ATOM      0  HB2 ASP A  14      -6.452  -1.180  -3.221  1.00  0.00           H   new
ATOM      0  HB3 ASP A  14      -6.553  -0.827  -1.507  1.00  0.00           H   new
ATOM    223  N   CYS A  15      -4.069   1.297  -2.373  1.00  0.00           N
ATOM    224  CA  CYS A  15      -2.886   1.639  -1.533  1.00  0.00           C
ATOM    225  C   CYS A  15      -2.730   3.154  -1.392  1.00  0.00           C
ATOM    226  O   CYS A  15      -2.725   3.885  -2.361  1.00  0.00           O
ATOM    227  CB  CYS A  15      -1.701   1.040  -2.283  1.00  0.00           C
ATOM    228  SG  CYS A  15      -1.997  -0.725  -2.538  1.00  0.00           S
ATOM      0  H   CYS A  15      -3.860   1.072  -3.346  1.00  0.00           H   new
ATOM      0  HA  CYS A  15      -2.976   1.251  -0.518  1.00  0.00           H   new
ATOM      0  HB2 CYS A  15      -1.569   1.542  -3.242  1.00  0.00           H   new
ATOM      0  HB3 CYS A  15      -0.782   1.190  -1.716  1.00  0.00           H   new
ATOM    233  N   CYS A  16      -2.596   3.625  -0.181  1.00  0.00           N
ATOM    234  CA  CYS A  16      -2.433   5.089   0.043  1.00  0.00           C
ATOM    235  C   CYS A  16      -1.134   5.581  -0.598  1.00  0.00           C
ATOM    236  O   CYS A  16      -0.320   4.803  -1.051  1.00  0.00           O
ATOM    237  CB  CYS A  16      -2.365   5.251   1.561  1.00  0.00           C
ATOM    238  SG  CYS A  16      -3.973   5.790   2.190  1.00  0.00           S
ATOM      0  H   CYS A  16      -2.593   3.056   0.665  1.00  0.00           H   new
ATOM      0  HA  CYS A  16      -3.247   5.665  -0.397  1.00  0.00           H   new
ATOM      0  HB2 CYS A  16      -2.080   4.306   2.025  1.00  0.00           H   new
ATOM      0  HB3 CYS A  16      -1.598   5.979   1.825  1.00  0.00           H   new
ATOM      0  HG  CYS A  16      -3.911   5.924   3.482  1.00  0.00           H   new
ATOM    243  N   LYS A  17      -0.933   6.870  -0.635  1.00  0.00           N
ATOM    244  CA  LYS A  17       0.313   7.411  -1.239  1.00  0.00           C
ATOM    245  C   LYS A  17       1.526   6.646  -0.703  1.00  0.00           C
ATOM    246  O   LYS A  17       1.529   6.179   0.418  1.00  0.00           O
ATOM    247  CB  LYS A  17       0.363   8.875  -0.801  1.00  0.00           C
ATOM    248  CG  LYS A  17       1.386   9.630  -1.653  1.00  0.00           C
ATOM    249  CD  LYS A  17       0.787   9.924  -3.031  1.00  0.00           C
ATOM    250  CE  LYS A  17       1.898  10.355  -3.991  1.00  0.00           C
ATOM    251  NZ  LYS A  17       2.259   9.121  -4.742  1.00  0.00           N
ATOM      0  H   LYS A  17      -1.579   7.571  -0.272  1.00  0.00           H   new
ATOM      0  HA  LYS A  17       0.327   7.313  -2.325  1.00  0.00           H   new
ATOM      0  HB2 LYS A  17      -0.621   9.331  -0.907  1.00  0.00           H   new
ATOM      0  HB3 LYS A  17       0.633   8.941   0.253  1.00  0.00           H   new
ATOM      0  HG2 LYS A  17       1.668  10.561  -1.161  1.00  0.00           H   new
ATOM      0  HG3 LYS A  17       2.295   9.038  -1.759  1.00  0.00           H   new
ATOM      0  HD2 LYS A  17       0.283   9.038  -3.416  1.00  0.00           H   new
ATOM      0  HD3 LYS A  17       0.035  10.709  -2.952  1.00  0.00           H   new
ATOM      0  HE2 LYS A  17       1.555  11.141  -4.664  1.00  0.00           H   new
ATOM      0  HE3 LYS A  17       2.756  10.752  -3.449  1.00  0.00           H   new
ATOM      0  HZ1 LYS A  17       3.016   9.337  -5.421  1.00  0.00           H   new
ATOM      0  HZ2 LYS A  17       2.588   8.393  -4.076  1.00  0.00           H   new
ATOM      0  HZ3 LYS A  17       1.425   8.770  -5.254  1.00  0.00           H   new
ATOM    265  N   ASP A  18       2.552   6.507  -1.498  1.00  0.00           N
ATOM    266  CA  ASP A  18       3.763   5.768  -1.036  1.00  0.00           C
ATOM    267  C   ASP A  18       3.390   4.336  -0.645  1.00  0.00           C
ATOM    268  O   ASP A  18       4.159   3.631  -0.020  1.00  0.00           O
ATOM    269  CB  ASP A  18       4.271   6.550   0.178  1.00  0.00           C
ATOM    270  CG  ASP A  18       5.189   7.679  -0.292  1.00  0.00           C
ATOM    271  OD1 ASP A  18       4.773   8.435  -1.154  1.00  0.00           O
ATOM    272  OD2 ASP A  18       6.294   7.769   0.218  1.00  0.00           O
ATOM      0  H   ASP A  18       2.605   6.873  -2.448  1.00  0.00           H   new
ATOM      0  HA  ASP A  18       4.524   5.694  -1.813  1.00  0.00           H   new
ATOM      0  HB2 ASP A  18       3.430   6.959   0.738  1.00  0.00           H   new
ATOM      0  HB3 ASP A  18       4.810   5.885   0.853  1.00  0.00           H   new
ATOM    277  N   LEU A  19       2.221   3.896  -1.020  1.00  0.00           N
ATOM    278  CA  LEU A  19       1.800   2.506  -0.685  1.00  0.00           C
ATOM    279  C   LEU A  19       1.442   1.762  -1.971  1.00  0.00           C
ATOM    280  O   LEU A  19       0.923   2.337  -2.906  1.00  0.00           O
ATOM    281  CB  LEU A  19       0.569   2.659   0.215  1.00  0.00           C
ATOM    282  CG  LEU A  19       0.464   1.458   1.163  1.00  0.00           C
ATOM    283  CD1 LEU A  19       1.618   1.492   2.166  1.00  0.00           C
ATOM    284  CD2 LEU A  19      -0.863   1.525   1.922  1.00  0.00           C
ATOM      0  H   LEU A  19       1.537   4.440  -1.545  1.00  0.00           H   new
ATOM      0  HA  LEU A  19       2.586   1.938  -0.187  1.00  0.00           H   new
ATOM      0  HB2 LEU A  19       0.640   3.582   0.790  1.00  0.00           H   new
ATOM      0  HB3 LEU A  19      -0.332   2.732  -0.395  1.00  0.00           H   new
ATOM      0  HG  LEU A  19       0.512   0.536   0.583  1.00  0.00           H   new
ATOM      0 HD11 LEU A  19       1.541   0.638   2.838  1.00  0.00           H   new
ATOM      0 HD12 LEU A  19       2.567   1.448   1.631  1.00  0.00           H   new
ATOM      0 HD13 LEU A  19       1.570   2.414   2.745  1.00  0.00           H   new
ATOM      0 HD21 LEU A  19      -0.940   0.672   2.596  1.00  0.00           H   new
ATOM      0 HD22 LEU A  19      -0.906   2.449   2.499  1.00  0.00           H   new
ATOM      0 HD23 LEU A  19      -1.690   1.502   1.212  1.00  0.00           H   new
ATOM    296  N   VAL A  20       1.723   0.492  -2.033  1.00  0.00           N
ATOM    297  CA  VAL A  20       1.404  -0.273  -3.270  1.00  0.00           C
ATOM    298  C   VAL A  20       0.923  -1.680  -2.923  1.00  0.00           C
ATOM    299  O   VAL A  20       1.300  -2.249  -1.919  1.00  0.00           O
ATOM    300  CB  VAL A  20       2.720  -0.341  -4.042  1.00  0.00           C
ATOM    301  CG1 VAL A  20       3.108   1.060  -4.518  1.00  0.00           C
ATOM    302  CG2 VAL A  20       3.819  -0.892  -3.131  1.00  0.00           C
ATOM      0  H   VAL A  20       2.158  -0.048  -1.285  1.00  0.00           H   new
ATOM      0  HA  VAL A  20       0.609   0.199  -3.847  1.00  0.00           H   new
ATOM      0  HB  VAL A  20       2.600  -0.997  -4.904  1.00  0.00           H   new
ATOM      0 HG11 VAL A  20       4.047   1.010  -5.069  1.00  0.00           H   new
ATOM      0 HG12 VAL A  20       2.326   1.453  -5.168  1.00  0.00           H   new
ATOM      0 HG13 VAL A  20       3.227   1.717  -3.656  1.00  0.00           H   new
ATOM      0 HG21 VAL A  20       4.758  -0.940  -3.682  1.00  0.00           H   new
ATOM      0 HG22 VAL A  20       3.938  -0.237  -2.268  1.00  0.00           H   new
ATOM      0 HG23 VAL A  20       3.545  -1.891  -2.793  1.00  0.00           H   new
ATOM    312  N   CYS A  21       0.096  -2.248  -3.755  1.00  0.00           N
ATOM    313  CA  CYS A  21      -0.404  -3.622  -3.483  1.00  0.00           C
ATOM    314  C   CYS A  21       0.741  -4.627  -3.627  1.00  0.00           C
ATOM    315  O   CYS A  21       1.583  -4.500  -4.494  1.00  0.00           O
ATOM    316  CB  CYS A  21      -1.477  -3.861  -4.544  1.00  0.00           C
ATOM    317  SG  CYS A  21      -2.152  -5.527  -4.350  1.00  0.00           S
ATOM      0  H   CYS A  21      -0.255  -1.819  -4.612  1.00  0.00           H   new
ATOM      0  HA  CYS A  21      -0.801  -3.737  -2.474  1.00  0.00           H   new
ATOM      0  HB2 CYS A  21      -2.271  -3.121  -4.447  1.00  0.00           H   new
ATOM      0  HB3 CYS A  21      -1.052  -3.743  -5.541  1.00  0.00           H   new
ATOM    322  N   SER A  22       0.790  -5.621  -2.782  1.00  0.00           N
ATOM    323  CA  SER A  22       1.894  -6.616  -2.878  1.00  0.00           C
ATOM    324  C   SER A  22       1.359  -8.039  -2.701  1.00  0.00           C
ATOM    325  O   SER A  22       0.770  -8.370  -1.687  1.00  0.00           O
ATOM    326  CB  SER A  22       2.841  -6.265  -1.733  1.00  0.00           C
ATOM    327  OG  SER A  22       3.444  -7.454  -1.241  1.00  0.00           O
ATOM      0  H   SER A  22       0.117  -5.786  -2.034  1.00  0.00           H   new
ATOM      0  HA  SER A  22       2.386  -6.583  -3.850  1.00  0.00           H   new
ATOM      0  HB2 SER A  22       3.607  -5.571  -2.079  1.00  0.00           H   new
ATOM      0  HB3 SER A  22       2.294  -5.763  -0.934  1.00  0.00           H   new
ATOM      0  HG  SER A  22       4.389  -7.285  -1.045  1.00  0.00           H   new
ATOM    333  N   SER A  23       1.569  -8.881  -3.680  1.00  0.00           N
ATOM    334  CA  SER A  23       1.092 -10.282  -3.579  1.00  0.00           C
ATOM    335  C   SER A  23       1.906 -11.026  -2.520  1.00  0.00           C
ATOM    336  O   SER A  23       1.473 -12.018  -1.967  1.00  0.00           O
ATOM    337  CB  SER A  23       1.334 -10.889  -4.961  1.00  0.00           C
ATOM    338  OG  SER A  23       0.595 -12.099  -5.075  1.00  0.00           O
ATOM      0  H   SER A  23       2.054  -8.652  -4.548  1.00  0.00           H   new
ATOM      0  HA  SER A  23       0.043 -10.345  -3.289  1.00  0.00           H   new
ATOM      0  HB2 SER A  23       1.029 -10.188  -5.738  1.00  0.00           H   new
ATOM      0  HB3 SER A  23       2.397 -11.083  -5.106  1.00  0.00           H   new
ATOM      0  HG  SER A  23       0.745 -12.492  -5.960  1.00  0.00           H   new
ATOM    344  N   ARG A  24       3.085 -10.546  -2.231  1.00  0.00           N
ATOM    345  CA  ARG A  24       3.934 -11.210  -1.203  1.00  0.00           C
ATOM    346  C   ARG A  24       3.449 -10.806   0.184  1.00  0.00           C
ATOM    347  O   ARG A  24       3.399 -11.603   1.100  1.00  0.00           O
ATOM    348  CB  ARG A  24       5.345 -10.679  -1.454  1.00  0.00           C
ATOM    349  CG  ARG A  24       6.373 -11.669  -0.903  1.00  0.00           C
ATOM    350  CD  ARG A  24       6.542 -11.442   0.601  1.00  0.00           C
ATOM    351  NE  ARG A  24       7.997 -11.633   0.861  1.00  0.00           N
ATOM    352  CZ  ARG A  24       8.505 -12.835   0.881  1.00  0.00           C
ATOM    353  NH1 ARG A  24       7.819 -13.827   1.380  1.00  0.00           N
ATOM    354  NH2 ARG A  24       9.702 -13.043   0.405  1.00  0.00           N
ATOM      0  H   ARG A  24       3.497  -9.720  -2.664  1.00  0.00           H   new
ATOM      0  HA  ARG A  24       3.898 -12.298  -1.260  1.00  0.00           H   new
ATOM      0  HB2 ARG A  24       5.504 -10.531  -2.522  1.00  0.00           H   new
ATOM      0  HB3 ARG A  24       5.469  -9.707  -0.976  1.00  0.00           H   new
ATOM      0  HG2 ARG A  24       6.048 -12.692  -1.093  1.00  0.00           H   new
ATOM      0  HG3 ARG A  24       7.328 -11.539  -1.411  1.00  0.00           H   new
ATOM      0  HD2 ARG A  24       6.218 -10.441   0.888  1.00  0.00           H   new
ATOM      0  HD3 ARG A  24       5.943 -12.148   1.176  1.00  0.00           H   new
ATOM      0  HE  ARG A  24       8.596 -10.824   1.023  1.00  0.00           H   new
ATOM      0 HH11 ARG A  24       6.885 -13.663   1.755  1.00  0.00           H   new
ATOM      0 HH12 ARG A  24       8.217 -14.766   1.395  1.00  0.00           H   new
ATOM      0 HH21 ARG A  24      10.239 -12.267   0.018  1.00  0.00           H   new
ATOM      0 HH22 ARG A  24      10.101 -13.982   0.420  1.00  0.00           H   new
ATOM    368  N   TRP A  25       3.079  -9.569   0.336  1.00  0.00           N
ATOM    369  CA  TRP A  25       2.577  -9.095   1.654  1.00  0.00           C
ATOM    370  C   TRP A  25       1.055  -9.254   1.712  1.00  0.00           C
ATOM    371  O   TRP A  25       0.458  -9.192   2.766  1.00  0.00           O
ATOM    372  CB  TRP A  25       2.988  -7.626   1.727  1.00  0.00           C
ATOM    373  CG  TRP A  25       4.480  -7.540   1.769  1.00  0.00           C
ATOM    374  CD1 TRP A  25       5.254  -6.955   0.826  1.00  0.00           C
ATOM    375  CD2 TRP A  25       5.392  -8.054   2.783  1.00  0.00           C
ATOM    376  NE1 TRP A  25       6.580  -7.073   1.201  1.00  0.00           N
ATOM    377  CE2 TRP A  25       6.713  -7.740   2.394  1.00  0.00           C
ATOM    378  CE3 TRP A  25       5.206  -8.752   3.991  1.00  0.00           C
ATOM    379  CZ2 TRP A  25       7.809  -8.100   3.163  1.00  0.00           C
ATOM    380  CZ3 TRP A  25       6.313  -9.120   4.774  1.00  0.00           C
ATOM    381  CH2 TRP A  25       7.614  -8.794   4.361  1.00  0.00           C
ATOM      0  H   TRP A  25       3.102  -8.861  -0.398  1.00  0.00           H   new
ATOM      0  HA  TRP A  25       2.983  -9.661   2.493  1.00  0.00           H   new
ATOM      0  HB2 TRP A  25       2.604  -7.084   0.863  1.00  0.00           H   new
ATOM      0  HB3 TRP A  25       2.559  -7.158   2.613  1.00  0.00           H   new
ATOM      0  HD1 TRP A  25       4.895  -6.475  -0.072  1.00  0.00           H   new
ATOM      0  HE1 TRP A  25       7.363  -6.709   0.658  1.00  0.00           H   new
ATOM      0  HE3 TRP A  25       4.208  -9.006   4.317  1.00  0.00           H   new
ATOM      0  HZ2 TRP A  25       8.807  -7.846   2.839  1.00  0.00           H   new
ATOM      0  HZ3 TRP A  25       6.162  -9.657   5.699  1.00  0.00           H   new
ATOM      0  HH2 TRP A  25       8.462  -9.078   4.967  1.00  0.00           H   new
ATOM    392  N   LYS A  26       0.436  -9.483   0.582  1.00  0.00           N
ATOM    393  CA  LYS A  26      -1.047  -9.682   0.546  1.00  0.00           C
ATOM    394  C   LYS A  26      -1.800  -8.372   0.822  1.00  0.00           C
ATOM    395  O   LYS A  26      -2.916  -8.389   1.302  1.00  0.00           O
ATOM    396  CB  LYS A  26      -1.318 -10.745   1.636  1.00  0.00           C
ATOM    397  CG  LYS A  26      -1.903 -10.106   2.909  1.00  0.00           C
ATOM    398  CD  LYS A  26      -1.308 -10.762   4.158  1.00  0.00           C
ATOM    399  CE  LYS A  26      -1.299 -12.287   4.001  1.00  0.00           C
ATOM    400  NZ  LYS A  26      -2.725 -12.696   4.136  1.00  0.00           N
ATOM      0  H   LYS A  26       0.898  -9.541  -0.326  1.00  0.00           H   new
ATOM      0  HA  LYS A  26      -1.398 -10.004  -0.434  1.00  0.00           H   new
ATOM      0  HB2 LYS A  26      -2.010 -11.494   1.252  1.00  0.00           H   new
ATOM      0  HB3 LYS A  26      -0.391 -11.263   1.880  1.00  0.00           H   new
ATOM      0  HG2 LYS A  26      -1.692  -9.037   2.917  1.00  0.00           H   new
ATOM      0  HG3 LYS A  26      -2.987 -10.217   2.914  1.00  0.00           H   new
ATOM      0  HD2 LYS A  26      -0.293 -10.400   4.320  1.00  0.00           H   new
ATOM      0  HD3 LYS A  26      -1.890 -10.483   5.037  1.00  0.00           H   new
ATOM      0  HE2 LYS A  26      -0.894 -12.582   3.033  1.00  0.00           H   new
ATOM      0  HE3 LYS A  26      -0.679 -12.759   4.763  1.00  0.00           H   new
ATOM      0  HZ1 LYS A  26      -2.781 -13.591   4.663  1.00  0.00           H   new
ATOM      0  HZ2 LYS A  26      -3.250 -11.959   4.648  1.00  0.00           H   new
ATOM      0  HZ3 LYS A  26      -3.140 -12.824   3.191  1.00  0.00           H   new
ATOM    414  N   TRP A  27      -1.220  -7.244   0.526  1.00  0.00           N
ATOM    415  CA  TRP A  27      -1.939  -5.966   0.793  1.00  0.00           C
ATOM    416  C   TRP A  27      -1.081  -4.764   0.398  1.00  0.00           C
ATOM    417  O   TRP A  27       0.037  -4.906  -0.057  1.00  0.00           O
ATOM    418  CB  TRP A  27      -2.207  -5.956   2.308  1.00  0.00           C
ATOM    419  CG  TRP A  27      -0.932  -6.163   3.077  1.00  0.00           C
ATOM    420  CD1 TRP A  27       0.233  -5.512   2.854  1.00  0.00           C
ATOM    421  CD2 TRP A  27      -0.683  -7.043   4.219  1.00  0.00           C
ATOM    422  NE1 TRP A  27       1.179  -5.957   3.755  1.00  0.00           N
ATOM    423  CE2 TRP A  27       0.666  -6.893   4.614  1.00  0.00           C
ATOM    424  CE3 TRP A  27      -1.480  -7.952   4.936  1.00  0.00           C
ATOM    425  CZ2 TRP A  27       1.206  -7.609   5.675  1.00  0.00           C
ATOM    426  CZ3 TRP A  27      -0.938  -8.677   6.011  1.00  0.00           C
ATOM    427  CH2 TRP A  27       0.403  -8.507   6.379  1.00  0.00           C
ATOM      0  H   TRP A  27      -0.291  -7.150   0.116  1.00  0.00           H   new
ATOM      0  HA  TRP A  27      -2.860  -5.898   0.214  1.00  0.00           H   new
ATOM      0  HB2 TRP A  27      -2.660  -5.007   2.595  1.00  0.00           H   new
ATOM      0  HB3 TRP A  27      -2.921  -6.740   2.561  1.00  0.00           H   new
ATOM      0  HD1 TRP A  27       0.396  -4.764   2.093  1.00  0.00           H   new
ATOM      0  HE1 TRP A  27       2.144  -5.628   3.779  1.00  0.00           H   new
ATOM      0  HE3 TRP A  27      -2.514  -8.094   4.659  1.00  0.00           H   new
ATOM      0  HZ2 TRP A  27       2.240  -7.471   5.953  1.00  0.00           H   new
ATOM      0  HZ3 TRP A  27      -1.560  -9.370   6.558  1.00  0.00           H   new
ATOM      0  HH2 TRP A  27       0.814  -9.069   7.205  1.00  0.00           H   new
ATOM    438  N   CYS A  28      -1.591  -3.578   0.589  1.00  0.00           N
ATOM    439  CA  CYS A  28      -0.800  -2.363   0.250  1.00  0.00           C
ATOM    440  C   CYS A  28       0.382  -2.248   1.216  1.00  0.00           C
ATOM    441  O   CYS A  28       0.209  -2.014   2.395  1.00  0.00           O
ATOM    442  CB  CYS A  28      -1.780  -1.204   0.429  1.00  0.00           C
ATOM    443  SG  CYS A  28      -3.017  -1.280  -0.887  1.00  0.00           S
ATOM      0  H   CYS A  28      -2.522  -3.399   0.965  1.00  0.00           H   new
ATOM      0  HA  CYS A  28      -0.386  -2.381  -0.758  1.00  0.00           H   new
ATOM      0  HB2 CYS A  28      -2.262  -1.265   1.405  1.00  0.00           H   new
ATOM      0  HB3 CYS A  28      -1.250  -0.252   0.394  1.00  0.00           H   new
ATOM    448  N   VAL A  29       1.578  -2.437   0.731  1.00  0.00           N
ATOM    449  CA  VAL A  29       2.762  -2.369   1.638  1.00  0.00           C
ATOM    450  C   VAL A  29       3.370  -0.965   1.667  1.00  0.00           C
ATOM    451  O   VAL A  29       3.189  -0.172   0.764  1.00  0.00           O
ATOM    452  CB  VAL A  29       3.764  -3.376   1.069  1.00  0.00           C
ATOM    453  CG1 VAL A  29       3.245  -4.794   1.309  1.00  0.00           C
ATOM    454  CG2 VAL A  29       3.936  -3.145  -0.436  1.00  0.00           C
ATOM      0  H   VAL A  29       1.788  -2.634  -0.247  1.00  0.00           H   new
ATOM      0  HA  VAL A  29       2.484  -2.598   2.667  1.00  0.00           H   new
ATOM      0  HB  VAL A  29       4.727  -3.247   1.564  1.00  0.00           H   new
ATOM      0 HG11 VAL A  29       3.956  -5.515   0.905  1.00  0.00           H   new
ATOM      0 HG12 VAL A  29       3.127  -4.962   2.379  1.00  0.00           H   new
ATOM      0 HG13 VAL A  29       2.282  -4.918   0.814  1.00  0.00           H   new
ATOM      0 HG21 VAL A  29       4.650  -3.865  -0.835  1.00  0.00           H   new
ATOM      0 HG22 VAL A  29       2.976  -3.272  -0.936  1.00  0.00           H   new
ATOM      0 HG23 VAL A  29       4.304  -2.134  -0.609  1.00  0.00           H   new
ATOM    464  N   LEU A  30       4.094  -0.662   2.711  1.00  0.00           N
ATOM    465  CA  LEU A  30       4.731   0.681   2.831  1.00  0.00           C
ATOM    466  C   LEU A  30       5.810   0.849   1.760  1.00  0.00           C
ATOM    467  O   LEU A  30       6.956   0.499   1.959  1.00  0.00           O
ATOM    468  CB  LEU A  30       5.356   0.692   4.226  1.00  0.00           C
ATOM    469  CG  LEU A  30       4.275   0.423   5.275  1.00  0.00           C
ATOM    470  CD1 LEU A  30       4.934   0.129   6.624  1.00  0.00           C
ATOM    471  CD2 LEU A  30       3.378   1.656   5.405  1.00  0.00           C
ATOM      0  H   LEU A  30       4.273  -1.293   3.492  1.00  0.00           H   new
ATOM      0  HA  LEU A  30       4.018   1.494   2.694  1.00  0.00           H   new
ATOM      0  HB2 LEU A  30       6.137  -0.065   4.292  1.00  0.00           H   new
ATOM      0  HB3 LEU A  30       5.829   1.655   4.416  1.00  0.00           H   new
ATOM      0  HG  LEU A  30       3.676  -0.435   4.969  1.00  0.00           H   new
ATOM      0 HD11 LEU A  30       4.164  -0.063   7.371  1.00  0.00           H   new
ATOM      0 HD12 LEU A  30       5.576  -0.747   6.532  1.00  0.00           H   new
ATOM      0 HD13 LEU A  30       5.532   0.987   6.931  1.00  0.00           H   new
ATOM      0 HD21 LEU A  30       2.607   1.468   6.152  1.00  0.00           H   new
ATOM      0 HD22 LEU A  30       3.979   2.512   5.712  1.00  0.00           H   new
ATOM      0 HD23 LEU A  30       2.909   1.868   4.444  1.00  0.00           H   new